FN Thomson Reuters Web of Science™ VR 1.0 PT J AU Sarrao, JL Bauer, ED Morales, LA Thompson, JD AF Sarrao, JL Bauer, ED Morales, LA Thompson, JD TI Structural tuning and anisotropy in PuCoGa5 SO PHYSICA B-CONDENSED MATTER LA English DT Article; Proceedings Paper CT International Conference on Strongly Correlated Electron Systems (SCES 04) CY JUL 26-30, 2004 CL Karlsruhe, GERMANY DE plutonium; superconductivity ID SUPERCONDUCTIVITY AB PuCoGa5 is an 18 K superconductor that crystallizes in the same structure as the CeMIn5 family of unconventional, heavy fermion superconductors. Structural similarities between these compounds are discussed, as are recent attempts to measure anisotropy of the upper critical field of PuCoGa5. (c) 2005 Elsevier B.V. All rights reserved. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Sarrao, JL (reprint author), Los Alamos Natl Lab, Mail Stop K764, Los Alamos, NM 87545 USA. EM sarrao@lanl.gov RI Bauer, Eric/D-7212-2011 NR 16 TC 6 Z9 6 U1 0 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-4526 J9 PHYSICA B JI Physica B PD APR 30 PY 2005 VL 359 BP 1144 EP 1146 DI 10.1016/j.physb.2005.01.301 PG 3 WC Physics, Condensed Matter SC Physics GA 933SY UT WOS:000229654400362 ER PT J AU Cornelius, AL Light, BE Kumar, RS Eichenfield, M Dutton, T Pepin, R Gardner, JS AF Cornelius, AL Light, BE Kumar, RS Eichenfield, M Dutton, T Pepin, R Gardner, JS TI Disturbing the spin liquid state in Tb2Ti2O7: Heat capacity measurements on rare earth titanates SO PHYSICA B-CONDENSED MATTER LA English DT Article; Proceedings Paper CT International Conference on Strongly Correlated Electron Systems (SCES 04) CY JUL 26-30, 2004 CL Karlsruhe, GERMANY DE geometrical frustration; heat capacity; antiferromagnetism ID PYROCHLORE ANTIFERROMAGNET TB2TI2O7 AB One of the best-known spin liquids is the geometrically frustrated pyrochlore Tb2Ti2O7, in a spin liquid, there are short-range dynamic magnetic correlations and an absence of static long-range magnetic order down to 0 K. We have measured heat capacity at low temperatures in magnetic field to 80 kOe on Nd2Ti2O7, Tb2Ti2O7, and Tb2TiO5 to better understand the spin liquid state. Nd2Ti2O7 displays antiferromagnetic order at T = 0.6 K much lower than the paramagnetic Curie temperature. Application of magnetic field or distortion of the Tb sublattice destroys the spin liquid as evidenced by static spins. (c) 2005 Elsevier B.V. All rights reserved. C1 Univ Nevada, Dept Phys, Las Vegas, NV 89154 USA. NIST, Ctr Neutron Res, Gaithersburg, MD 20899 USA. RP Cornelius, AL (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. EM cornel@physics.unlv.ed RI Cornelius, Andrew/A-9837-2008; Gardner, Jason/A-1532-2013; OI Kumar, Ravhi/0000-0002-1967-1619 NR 8 TC 4 Z9 4 U1 0 U2 8 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-4526 J9 PHYSICA B JI Physica B PD APR 30 PY 2005 VL 359 BP 1243 EP 1245 DI 10.1016/j.physb.2005.01.372 PG 3 WC Physics, Condensed Matter SC Physics GA 933SY UT WOS:000229654400395 ER PT J AU Chakhalian, J Salman, Z Brewer, J Froese, A He, J Mandrus, D Jin, R AF Chakhalian, J Salman, Z Brewer, J Froese, A He, J Mandrus, D Jin, R TI Magnetism in purple bronze Li0.9Mo6O17 SO PHYSICA B-CONDENSED MATTER LA English DT Article; Proceedings Paper CT International Conference on Strongly Correlated Electron Systems (SCES 04) CY JUL 26-30, 2004 CL Karlsruhe, GERMANY DE low-dimensional magnetism; impurity in Tomonaga-Luttinger liquid; Kondo impurity; Muon spin resonance AB Muon spin relaxation measurements around the 25 K metal-insulator transition in Li0.9Mo6O17 elucidate a profound role of disorder as a possible mechanism for this transition. The relaxation rate 1 /T-1 and the muon Knight shift are incompatible with the transition to a SDW state and thus exclude it. (c) 2005 Elsevier B.V. All rights reserved. C1 Max Planck Inst Solid State Res, D-70569 Stuttgart, Germany. Univ British Columbia, Vancouver, BC V6T 1A1, Canada. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Chakhalian, J (reprint author), Max Planck Inst Solid State Res, Heisenbergstr 1, D-70569 Stuttgart, Germany. EM j.chakhalian@fkf.mpg.de RI Salman, Zaher/A-5696-2008; Mandrus, David/H-3090-2014; Chakhalian, Jak/F-2274-2015; OI Salman, Zaher/0000-0002-3431-8135; Brewer, Jesse H./0000-0002-8211-1235 NR 9 TC 9 Z9 9 U1 0 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-4526 J9 PHYSICA B JI Physica B PD APR 30 PY 2005 VL 359 BP 1333 EP 1335 DI 10.1016/j.physb.2005.01.402 PG 3 WC Physics, Condensed Matter SC Physics GA 933SY UT WOS:000229654400425 ER PT J AU Jaime, M Correa, V Harrison, N Batista, CD Kawashima, N Stern, R Uchinokura, K AF Jaime, M Correa, V Harrison, N Batista, CD Kawashima, N Stern, R Uchinokura, K TI Field-induced Bose-Einstein condensation of a strongly correlated spin liquid in BaCuSi2O6 SO PHYSICA B-CONDENSED MATTER LA English DT Article; Proceedings Paper CT International Conference on Strongly Correlated Electron Systems (SCES 04) CY JUL 26-30, 2004 CL Karlsruhe, GERMANY DE specific heat; high magnetic fields; directed-loop Monte Carlo ID TEMPERATURE; GAP AB Low-temperature specific heat and magnetization experiments were performed in single-crystal samples of BaCuSi2O6 at high magnetic fields. These properties show changes upon entering a roughly parabolic region of the (H, T) phase diagram defined by critical magnetic fields H-cl = 23.5 T and H-c2 = 49 T, and a critical temperature T-c = 3.78 K. The specific heat measured at 37 T shows a lambda-shaped anomaly, and the magnetic susceptibility drops sharply on cooling. We used analytical methods and a directed-loop Monte Carlo algorithm to reproduce the experimental results, which are consistent with Bose-Einstein condensation of strongly correlated spin degrees of freedom. (c) 2005 Elsevier B.V. All rights reserved. C1 Los Alamos Natl Lab, MST, NHMFL, Los Alamos, NM 87545 USA. Tokyo Metropolitan Univ, Tokyo 1920397, Japan. NICPB, EE-12618 Tallinn, Estonia. Univ Tokyo, Tokyo 1138656, Japan. RP Jaime, M (reprint author), Los Alamos Natl Lab, MST, NHMFL, MS E536, Los Alamos, NM 87545 USA. EM mjaime@lanl.gov RI Jaime, Marcelo/F-3791-2015; Stern, Raivo/A-5387-2008; Batista, Cristian/J-8008-2016 OI Jaime, Marcelo/0000-0001-5360-5220; Stern, Raivo/0000-0002-6724-9834; NR 7 TC 0 Z9 0 U1 0 U2 8 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-4526 J9 PHYSICA B JI Physica B PD APR 30 PY 2005 VL 359 BP 1369 EP 1371 DI 10.1016/j.physb.2005.01.423 PG 3 WC Physics, Condensed Matter SC Physics GA 933SY UT WOS:000229654400437 ER PT J AU Petrova, AE Sidorov, VA Stishov, SM AF Petrova, AE Sidorov, VA Stishov, SM TI High-pressure helium gas apparatus and hydrostatic toroid cell for low-temperatures applications SO PHYSICA B-CONDENSED MATTER LA English DT Article; Proceedings Paper CT International Conference on Strongly Correlated Electron Systems (SCES 04) CY JUL 26-30, 2004 CL Karlsruhe, GERMANY DE helium pressure cell; toroid AB We describe a high-pressure helium-gas apparatus and a hydrostatic toroid cell for low-temperature applications. The first can be used to create very nearly hydrostatic pressures of 1.5 GPa and operate at temperatures less than 2 K for electrical, magnetic and thermodynamic measurements. The toroid cell is a clamped anvil device with a special anvil profile that accepts a Teflon capsule containing a sample and suitable liquid pressure medium. The toroid cell generates pressures to 6 GPa and can be used with any kind of cryostat. (c) 2005 Elsevier B.V. All rights reserved. C1 Inst High Pressure Phys, Troitsk 142190, Moscow Region, Russia. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Petrova, AE (reprint author), Inst High Pressure Phys, Troitsk 142190, Moscow Region, Russia. EM apetrova@hppi.troitsk.ru NR 6 TC 27 Z9 28 U1 0 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-4526 J9 PHYSICA B JI Physica B PD APR 30 PY 2005 VL 359 BP 1463 EP 1465 DI 10.1016/j.physb.2005.01.454 PG 3 WC Physics, Condensed Matter SC Physics GA 933SY UT WOS:000229654400468 ER PT J AU Hasan, T Gazda, D Porter, MD Houk, RS AF Hasan, T Gazda, D Porter, MD Houk, RS TI On-line cleanup of blanks by electrochemically modulated liquid chromatography for inductively coupled plasma-mass spectrometry SO ANALYTICA CHIMICA ACTA LA English DT Article DE inductively coupled plasma (ICP); inductively coupled plasma mass spectrometry (ICP-MS); electrochemically modulated liquid chromatography (EMLC); blanks; background reduction ID ANODIC-STRIPPING VOLTAMMETRY; TRACE URANIUM; FLOW CELL; PRETREATMENT; CADMIUM; COPPER AB Electrochemically modulated liquid chromatography (EMLC) is used on-line to remove metal ions from the blank solution and improve detection limits in inductively coupled plasma-mass spectrometry (ICP-MS). The EMLC column contains glassy carbon particles held at an appropriate negative applied potential (E-app). The supporting electrolyte and reference electrode are outside the porous stainless steel column to minimize contamination of the blank flow stream. Various metal ions, such as Tl+ and Ph2+, are retained at cathodic values of E-app with an efficiency of 99% or better at liquid flow rates of 50-80 mu l min(-1). Other metals are retained at an E-app that is moderately positive with respect to their standard reduction potentials. This latter observation suggests that surface functional groups on the carbon stationary phase are also important. The column can be cleaned easily by stripping the deposited metal at high anodic values of E-app. (c) 2005 Elsevier B.V. All rights reserved. C1 Iowa State Univ, Dept Chem, US Dept Energy, Ames Lab, Ames, IA 50011 USA. RP Houk, RS (reprint author), Iowa State Univ, Dept Chem, US Dept Energy, Ames Lab, Ames, IA 50011 USA. EM rshouk@iastate.edu NR 22 TC 7 Z9 7 U1 0 U2 1 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 29 PY 2005 VL 537 IS 1-2 BP 63 EP 68 DI 10.1016/j.aca.2004.12.081 PG 6 WC Chemistry, Analytical SC Chemistry GA 921JU UT WOS:000228761300008 ER PT J AU Jayaraman, S Eswaramoorthy, S Ahmed, SA Smith, LA Swaminathan, S AF Jayaraman, S Eswaramoorthy, S Ahmed, SA Smith, LA Swaminathan, S TI N-terminal helix reorients in recombinant C-fragment of Clostridium botulinum type B SO BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS LA English DT Article DE Clostridium botulinum; binding domain; X-ray crystallography; three-dimensional structure; gangliosides ID RECEPTOR-BINDING DOMAIN; TETANUS TOXIN; STRUCTURAL-ANALYSIS; CRYSTAL-STRUCTURE; HEAVY-CHAIN; H-C; NEUROTOXIN; GANGLIOSIDE; INTERNALIZATION; IDENTIFICATION AB Botulinum neurotoxins comprise seven distinct serotypes (A-G) produced by Clostridium botulinum. The crystal structure of the binding domain of the botulinum neurotoxin type B (BBHc) has been determined to 2 angstrom resolution. The overall structure of BBHc is well ordered and similar to that of the binding domain of the holotoxin. However, significant structural changes occur at what would be the interface of translocation and binding domains of the holotoxin. The loop 911-924 shows a maximum displacement of 14.8 angstrom at the farthest point. The N-terminal helix reorients and moves by 19.5 angstrom from its original position. BBHc is compared with the binding domain of the holotoxin of botulinum type A and B, and the tetanus C-fragment to characterize the heavy chain-carbohydrate interactions. The probable reasons for different binding affinity of botulinum and tetanus toxins are discussed. Published by Elsevier Inc. C1 Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. USA, Med Res Inst Infect Dis, Dept Immunol & Mol Biol, Div Toxicol, Ft Detrick, MD 21702 USA. RP Swaminathan, S (reprint author), Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. EM swami@bnl.gov NR 32 TC 9 Z9 10 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 0006-291X J9 BIOCHEM BIOPH RES CO JI Biochem. Biophys. Res. Commun. PD APR 29 PY 2005 VL 330 IS 1 BP 97 EP 103 DI 10.1016/j.bbrc.2005.02.123 PG 7 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA 914UP UT WOS:000228253700015 PM 15781237 ER PT J AU Singh, S Korolev, S Koroleva, O Zarembinski, T Collart, F Joachimiak, A Christendat, D AF Singh, S Korolev, S Koroleva, O Zarembinski, T Collart, F Joachimiak, A Christendat, D TI Crystal structure of a novel shikimate dehydrogenase from Haemophilus influenzae SO JOURNAL OF BIOLOGICAL CHEMISTRY LA English DT Article ID PISUM-SATIVUM; PATHWAY; SITE AB To date two classes of shikimate dehydrogenases have been identified and characterized, YdiB and AroE. YdiB is a bifunctional enzyme that catalyzes the reversible reductions of dehydroquinate to quinate and dehydroshikimate to shikimate in the presence of either NADH or NADPH. In contrast, AroE catalyzes the reversible reduction of dehydroshikimate to shikimate in the presence of NADPH. Here we report the crystal structure and biochemical characterization of HI0607, a novel class of shikimate dehydrogenase annotated as shikimate dehydrogenase-like. The kinetic properties of HI0607 are remarkably different from those of AroE and YdiB. In comparison with YdiB, HI0607 catalyzes the oxidation of shikimate but not quinate. The turnover rate for the oxidation of shikimate is similar to 1000-fold lower compared with that of AroE. Phylogenetic analysis reveals three independent clusters representing three classes of shikimate dehydrogenases, namely AroE, YdiB, and this newly characterized shikimate dehydrogenase-like protein. In addition, mutagenesis studies of two invariant residues, Asp-103 and Lys-67, indicate that they are important catalytic groups that may function as a catalytic pair in the shikimate dehydrogenase reaction. This is the first study that describes the crystal structure as well as mutagenesis and mechanistic analysis of this new class of shikimate dehydrogenase. C1 Univ Toronto, Dept Bot, Toronto, ON M5S 3B2, Canada. Argonne Natl Lab, Struct Biol Ctr, Argonne, IL 60439 USA. RP Christendat, D (reprint author), Univ Toronto, Dept Bot, 25 Willcocks St, Toronto, ON M5S 3B2, Canada. EM dinesh.christendat@utoronto.ca RI singh, sasha/H-3612-2012; OI singh, sasha/0000-0003-0929-3164; Collart, Frank/0000-0001-6942-4483 FU NIGMS NIH HHS [GM62414-01, P50 GM062414-01, P50 GM062414] NR 25 TC 29 Z9 32 U1 2 U2 12 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 29 PY 2005 VL 280 IS 17 BP 17101 EP 17108 DI 10.1074/jbc.M412753200 PG 8 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 919JY UT WOS:000228615500069 PM 15735308 ER PT J AU Geisbrecht, BV Hamaoka, BY Perman, B Zemla, A Leahy, DJ AF Geisbrecht, BV Hamaoka, BY Perman, B Zemla, A Leahy, DJ TI The crystal structures of EAP domains from Staphylococcus aureus reveal an unexpected homology to bacterial superantigens SO JOURNAL OF BIOLOGICAL CHEMISTRY LA English DT Article ID MHC CLASS-II; EXTRACELLULAR ADHERENCE PROTEIN; SHOCK-SYNDROME TOXIN-1; SECONDARY STRUCTURE; HUMAN FIBRONECTIN; BINDING PROTEINS; STRAIN NEWMAN; ZINC; RECOGNITION; SITE AB The Eap (extracellular adherence protein) of Staphylococcus aureus functions as a secreted virulence factor by mediating interactions between the bacterial cell surface and several extracellular host proteins. Eap proteins from different Staphylococcal strains consist of four to six tandem repeats of a structurally uncharacterized domain (EAP domain). We have determined the three-dimensional structures of three different EAP domains to 1.8, 2.2, and 1.35 angstrom resolution, respectively. These structures reveal a core fold that is comprised of an alpha-helix lying diagonally across a five-stranded, mixed beta-sheet. Comparison of EAP domains with known structures reveals an unexpected homology with the C-terminal domain of bacterial superantigens. Examination of the structure of the superantigen SEC2 bound to the beta-chain of a T-cell receptor suggests a possible ligand-binding site within the EAP domain (Fields, B. A., Malchiodi, E. L., Li, H., Ysern, X., Stauffacher, C. V., Schlievert, P. M., Karjalainen, K., and Mariuzza, R. (1996) Nature 384, 188-192). These results provide the first structural characterization of EAP domains, relate EAP domains to a large class of bacterial toxins, and will guide the design of future experiments to analyze EAP domain structure/function relationships. C1 Johns Hopkins Univ, Sch Med, Dept Biophys & Biophys Chem, Baltimore, MD 21205 USA. Johns Hopkins Univ, Sch Med, Howard Hughes Med Inst, Baltimore, MD 21205 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Leahy, DJ (reprint author), Johns Hopkins Univ, Sch Med, Dept Biophys & Biophys Chem, 725 N Wolfe St, Baltimore, MD 21205 USA. EM dleahy@jhmi.edu NR 52 TC 38 Z9 39 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 29 PY 2005 VL 280 IS 17 BP 17243 EP 17250 DI 10.1074/jbc.M412311200 PG 8 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 919JY UT WOS:000228615500087 PM 15691839 ER PT J AU Becker, M Bunikis, J Lade, BD Dunn, JJ Barbour, AG Lawson, CL AF Becker, M Bunikis, J Lade, BD Dunn, JJ Barbour, AG Lawson, CL TI Structural investigation of Borrelia burgdorferi OspB, a bactericidalFab target SO JOURNAL OF BIOLOGICAL CHEMISTRY LA English DT Article ID OUTER-SURFACE PROTEIN; LYME-DISEASE SPIROCHETE; ANTILYSOZYME ANTIBODY HYHEL-63; LAYER BETA-SHEET; MONOCLONAL-ANTIBODY; MOLECULAR ANALYSIS; PROTECTIVE IMMUNITY; HYDROGEN-EXCHANGE; CRYSTAL-STRUCTURE; IN-VIVO AB Certain antibody Fab fragments directed against the C terminus of outer surface protein B (OspB), a major lipoprotein of the Lyme disease spirochete, Borrelia burgdorferi, have the unusual property of being bactericidal even in the absence of complement. We report here x-ray crystal structures of a C-terminal fragment of B. burgdorferi OspB, which spans residues 152-296, alone at 2.0-angstrom resolution, and in a complex with the bactericidal Fab H6831 at 2.6-angstrom resolution. The H6831 epitope is topologically analogous to the LA-2 epitope of OspA and is centered around OspB Lys-253, a residue essential for H6831 recognition. A beta-sheet present in the free OspB fragment is either disordered or removed by proteolysis in the H6831-bound complex. Other conformational changes between free and H6831-bound structures are minor and appear to be related to this loss. In both crystal structures, OspB C-terminal fragments form artificial dimers connected by intermolecular beta-sheets. OspB structure, stability, and possible mechanisms of killing by H6831 and other bactericidal Fabs are discussed in light of the structural data. C1 Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. Univ Calif Irvine, Coll Med, Dept Microbiol, Irvine, CA 92697 USA. Univ Calif Irvine, Coll Med, Dept Mol & Med Genet, Irvine, CA 92697 USA. Rutgers State Univ, Dept Chem & Biol Chem, Piscataway, NJ 08854 USA. RP Becker, M (reprint author), Brookhaven Natl Lab, Dept Biol, Bldg 463,POB 5000, Upton, NY 11973 USA. EM mbecker@bnl.gov; cathy.lawson@rutgers.edu RI Barbour, Alan/B-3160-2009 OI Barbour, Alan/0000-0002-0719-5248 FU NIAID NIH HHS [AI24424, AI37248]; PHS HHS [R01-A137256] NR 75 TC 19 Z9 19 U1 0 U2 0 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 29 PY 2005 VL 280 IS 17 BP 17363 EP 17370 DI 10.1074/jbc.M412842200 PG 8 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 919JY UT WOS:000228615500101 PM 15713683 ER PT J AU Kaminski, A Fretwell, HM AF Kaminski, A Fretwell, HM TI On the extraction of the self-energy from angle-resolved photoemission spectroscopy SO NEW JOURNAL OF PHYSICS LA English DT Article ID FERMI-SURFACE; NORMAL-STATE; T-C; BI2SR2CACU2O8+DELTA; DISPERSION; SUPERCONDUCTORS; GAP AB We examine a technique commonly used to extract the self-energy from angle-resolved photoemission spectroscopy data. We find that this technique works extremely well for the marginal Fermi liquid model where it follows the analytical model perfectly. Surprisingly, we find a similarly good performance in the case of a Fermi liquid. Finally, we test the influence of the energy and momentum resolution on the results. We find that while the momentum resolution plays only a minor role in the analysis ( it slightly inflates the values of the imaginary part of the self-energy), the energy resolution changes the extracted functional form of the self-energy in a significant way at low binding energy. C1 Iowa State Univ, Ames Lab, Ames, IA 50011 USA. Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. RP Kaminski, A (reprint author), Iowa State Univ, Ames Lab, Ames, IA 50011 USA. EM kaminski@ameslab.gov NR 14 TC 14 Z9 14 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1367-2630 J9 NEW J PHYS JI New J. Phys. PD APR 29 PY 2005 VL 7 AR 98 DI 10.1088/1367-2630/6/1/098 PG 10 WC Physics, Multidisciplinary SC Physics GA 922TO UT WOS:000228861700002 ER PT J AU Rotenberg, E Freelon, BK Koh, H Bostwick, A Rossnagel, K Schmid, A Kevan, SD AF Rotenberg, E Freelon, BK Koh, H Bostwick, A Rossnagel, K Schmid, A Kevan, SD TI Electron states and the spin density wave phase diagram in Cr(110) films SO NEW JOURNAL OF PHYSICS LA English DT Review ID ANGLE-RESOLVED PHOTOEMISSION; ULTRATHIN FERROMAGNETIC-FILMS; MAGNETIC CIRCULAR-DICHROISM; QUANTUM-WELL STATES; THIN-FILMS; FE/CR(001) SUPERLATTICES; REORIENTATION TRANSITION; PARAMAGNETIC CHROMIUM; MICROSCOPIC ORIGIN; DOMAIN-STRUCTURES AB Chromium films offer an excellent system to study the impact of dimensional confinement on physical properties associated with the spin-density-wave (SDW) ground state observed in bulk materials. These properties are also of some technological importance since chromium is a common component of thin film magnetic structures. We prepared chromium ( 1 1 0) films of high crystalline quality on a W( 1 1 0) substrate with a wedge-shaped thickness profile so that the impact of confinement can be systematically studied. We have characterized these films using a combination of low-energy electron diffraction and microscopy as well as high-resolution angle-resolved photoemission spectroscopy. We have probed the Fermi surface and the nesting vectors therein that are relevant to the SDW ground state. We find these to predict accurately the observed bulk SDW periodicity. We have also characterized the SDW periodicity in the film directly by measuring the splitting between backfolded bands, and we find that this periodicity deviates markedly from the bulk periodicity for thinner films at higher temperatures. We have systematically mapped the SDW incommensurability and phase diagram as a function of both film thickness and temperature. We find commensurate and incommensurate phases that are separated by nearly continuous transitions. Our results suggest a simple model to explain the delicate interplay between commensurate and incommensurate phases that involves a balance between SDW stabilization energy and surface and interface energetics. C1 Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. Lawrence Berkeley Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA. Univ Oregon, Dept Phys, Eugene, OR 97403 USA. RP Rotenberg, E (reprint author), Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. EM kevan@physics.uoregon.edu RI Rotenberg, Eli/B-3700-2009; Rossnagel, Kai/F-8822-2011; Kevan, Stephen/F-6415-2010; Bostwick, Aaron/E-8549-2010 OI Rotenberg, Eli/0000-0002-3979-8844; Rossnagel, Kai/0000-0001-5107-0090; Kevan, Stephen/0000-0002-4621-9142; NR 117 TC 25 Z9 25 U1 1 U2 23 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1367-2630 J9 NEW J PHYS JI New J. Phys. PD APR 29 PY 2005 VL 7 AR 114 DI 10.1088/1367-2630/7/1/114 PG 28 WC Physics, Multidisciplinary SC Physics GA 922TO UT WOS:000228861700018 ER PT J AU Abazov, VM Abbott, B Abolins, M Acharya, BS Adams, M Adams, T Agelou, M Agram, JL Ahn, SH Ahsan, M Alexeev, GD Alkhazov, G Alton, A Alverson, G Alves, GA Anastasoaie, M Anderson, S Andrieu, B Arnoud, Y Askew, A Asman, B Atramentov, O Autermann, C Avila, C Badaud, F Baden, A Baldin, B Balm, PW Banerjee, S Barberis, E Bargassa, P Baringer, P Barnes, C Barreto, J Bartlett, JF Bassler, U Bauer, D Bean, A Beauceron, S Begel, M Bellavance, A Beri, SB Bernardi, G Bernhard, R Bertram, I Besancon, M Beuselinck, R Bezzubov, VA Bhat, PC Bhatnagar, V Binder, M Black, KM Blackler, I Blazey, G Blekman, F Blessing, S Bloch, D Blumenschein, U Boehnlein, A Boeriu, O Bolton, TA Borcherding, F Borissov, G Bos, K Bose, T Brandt, A Brock, R Brooijmans, G Bross, A Buchanan, NJ Buchholz, D Buehler, M Buescher, V Burdin, S Burnett, TH Busato, E Butler, JM Bystricky, J Carvalho, W Casey, BCK Cason, NM Castilla-Valdez, H Chakrabarti, S Chakraborty, D Chan, KM Chandra, A Chapin, D Charles, F Cheu, E Chevalier, L Cho, DK Choi, S Christiansen, T Christofek, L Claes, D Clement, B Clement, C Coadou, Y Cooke, M Cooper, WE Coppage, D Corcoran, M Coss, J Cothenet, A Cousinou, MC Crepe-Renaudin, S Cristetiu, M Cummings, MAC Cutts, D da Motta, H Davies, B Davies, G Davis, GA De, K de Jong, P de Jong, SJ De La Cruz-Burelo, E Martins, CD Dean, S Deliot, F Delsart, PA Demarteau, M Demina, R Demine, P Denisov, D Denisov, SP Desai, S Diehl, HT Diesburg, M Doidge, M Dong, H Doulas, S Duflot, L Dugad, SR Duperrin, A Dyer, J Dyshkant, A Eads, M Edmunds, D Edwards, T Ellison, J Elmsheuser, J Eltzroth, JT Elvira, VD Eno, S Ermolov, P Eroshin, OV Estrada, J Evans, D Evans, H Evdokimov, A Evdokimov, VN Fast, J Fatakia, SN Feligioni, L Ferbel, T Fiedler, F Filthaut, F Fisher, W Fisk, HE Fortner, M Fox, H Freeman, W Fu, S Fuess, S Gadfort, T Galea, CF Gallas, E Galyaev, E Garcia, C Garcia-Bellido, A Gardner, J Gavrilov, V Gay, P Gele, D Gelhaus, R Genser, K Gerber, CE Gershtein, Y Ginther, G Golling, T Gomez, B Gounder, K Goussiou, A Grannis, PD Greder, S Greenlee, H Greenwood, ZD Gregores, EM Gris, P Grivaz, JF Groer, L Grunendahl, S Grunewald, MW Gurzhiev, SN Gutierrez, G Gutierrez, P Haas, A Hadley, NJ Hagopian, S Hall, I Hall, RE Han, C Han, L Hanagaki, K Harder, K Harrington, R Hauptman, JM Hauser, R Hays, J Hebbeker, T Hedin, D Heinmiller, JM Heinson, AP Heintz, U Hensel, C Hesketh, G Hildreth, MD Hirosky, R Hobbs, JD Hoeneisen, B Hohlfeld, M Hong, SJ Hooper, R Houben, P Hu, Y Huang, J Iashvili, I Illingworth, R Ito, AS Jabeen, S Jaffre, M Jain, S Jain, V Jakobs, K Jenkins, A Jesik, R Johns, K Johnson, M Jonckheere, A Jonsson, P Jostlein, H Juste, A Kado, MM Kafer, D Kahl, W Kahn, S Kajfasz, E Kalinin, AM Kalk, J Karmanov, D Kasper, J Kau, D Kehoe, R Kermiche, S Kesisoglou, S Khanov, A Kharchilava, A Kharzheev, YM Kim, KH Klima, B Klute, M Kohli, JM Kopal, M Korablev, VM Kotcher, J Kothari, B Koubarovsky, A Kozelov, AV Kozminski, J Krzywdzinski, S Kuleshov, S Kulik, Y Kunori, S Kupco, A Kurca, T Lager, S Lahrichi, N Landsberg, G Lazoflores, J Le Bihan, AC Lebrun, P Lee, SW Lee, WM Leflat, A Lehner, F Leonidopoulos, C Lewis, P Li, J Li, QZ Lima, JGR Lincoln, D Linn, SL Linnemann, J Lipaev, VV Lipton, R Lobo, L Lobodenko, A Lokajicek, M Lounis, A Lubatti, HJ Lueking, L Lynker, M Lyon, AL Maciel, AKA Madaras, RJ Mattig, P Magerkurth, A Magnan, AM Makovec, N Mal, PK Malik, S Malyshev, VL Mao, HS Maravin, Y Martens, M Mattingly, SEK Mayorov, AA McCarthy, R McCroskey, R Meder, D Melanson, HL Melnitchouk, A Merkin, M Merritt, KW Meyer, A Miettinen, H Mihalcea, D Mitrevski, J Mokhov, N Molina, J Mondal, NK Montgomery, HE Moore, RW Muanza, GS Mulders, M Mutaf, YD Nagy, E Narain, M Naumann, NA Neal, HA Negret, JP Nelson, S Neustroev, P Noeding, C Nomerotski, A Novaes, SF Nunnemann, T Nurse, E O'Dell, V O'Neil, DC Oguri, V Oliveira, N Oshima, N Garzon, GJOY Padley, P Parashar, N Park, J Park, SK Parsons, J Partridge, R Parua, N Patwa, A Perea, PM Perez, E Peters, O Petroff, P Petteni, M Phaf, L Piegaia, R Podesta-Lerma, PLM Podstavkov, VM Pogorelov, Y Pope, BG da Silva, WLP Prosper, HB Protopopescu, S Przybycien, MB Qian, J Quadt, A Quinn, B Rani, KJ Rapidis, PA Ratoff, PN Reay, NW Reucroft, S Rijssenbeek, M Ripp-Baudot, I Rizatdinova, F Royon, C Rubinov, P Ruchti, R Sajot, G Sanchez-Hernandez, A Sanders, MP Santoro, A Savage, G Sawyer, L Scanlon, T Schamberger, RD Schellman, H Schieferdecker, P Schmitt, C Schukin, AA Schwartzman, A Schwienhorst, R Sengupta, S Severini, H Shabalina, E Shamim, M Shary, V Shephard, WD Shpakov, D Sidwell, RA Simak, V Sirotenko, V Skubic, P Slattery, P Smith, RP Smolek, K Snow, GR Snow, J Snyder, S Soldner-Rembold, S Song, X Song, Y Sonnenschein, L Sopczak, A Sosebee, M Soustruznik, K Souza, M Spurlock, B Stanton, NR Stark, J Steele, J Steinbruck, G Stevenson, K Stolin, V Stone, A Stoyanova, DA Strandberg, J Strang, MA Strauss, M Strohmer, R Strovink, M Stutte, L Sumowidagdo, S Sznajder, A Talby, M Tamburello, P Taylor, W Telford, P Temple, J Tentindo-Repond, S Thomas, E Thooris, B Tomoto, M Toole, T Torborg, J Towers, S Trefzger, T Trincaz-Duvoid, S Tuchming, B Tully, C Turcot, AS Tuts, PM Uvarov, L Uvarov, S Uzunyan, S Vachon, B Van Kooten, R van Leeuwen, WM Varelas, N Varnes, EW Vasilyev, IA Vaupel, M Verdier, P Vertogradov, LS Verzocchi, M Villeneuve-Seguier, F Vlimant, JR Von Toerne, E Vreeswijk, M Anh, TV Wahl, HD Walker, R Wang, L Wang, ZM Warchol, J Warsinsky, M Watts, G Wayne, M Weber, M Weerts, H Wegner, M Wermes, N White, A White, V Whiteson, D Wicke, D Wijngaarden, DA Wilson, GW Wimpenny, SJ Wittlin, J Wobisch, M Womersley, J Wood, DR Wyatt, TR Xu, Q Xuan, N Yamada, R Yan, M Yasuda, T Yatsunenko, YA Yen, Y Yip, K Youn, SW Yu, J Yurkewicz, A Zabi, A Zatserklyaniy, A Zdrazil, M Zeitnitz, C Zhang, D Zhang, X Zhao, T Zhao, Z Zhou, B Zhu, J Zielinski, M Zieminska, D Zieminski, A Zitoun, R Zutshi, V Zverev, EG Zylberstejn, A AF Abazov, VM Abbott, B Abolins, M Acharya, BS Adams, M Adams, T Agelou, M Agram, JL Ahn, SH Ahsan, M Alexeev, GD Alkhazov, G Alton, A Alverson, G Alves, GA Anastasoaie, M Anderson, S Andrieu, B Arnoud, Y Askew, A Asman, B Atramentov, O Autermann, C Avila, C Badaud, F Baden, A Baldin, B Balm, PW Banerjee, S Barberis, E Bargassa, P Baringer, P Barnes, C Barreto, J Bartlett, JF Bassler, U Bauer, D Bean, A Beauceron, S Begel, M Bellavance, A Beri, SB Bernardi, G Bernhard, R Bertram, I Besancon, M Beuselinck, R Bezzubov, VA Bhat, PC Bhatnagar, V Binder, M Black, KM Blackler, I Blazey, G Blekman, F Blessing, S Bloch, D Blumenschein, U Boehnlein, A Boeriu, O Bolton, TA Borcherding, F Borissov, G Bos, K Bose, T Brandt, A Brock, R Brooijmans, G Bross, A Buchanan, NJ Buchholz, D Buehler, M Buescher, V Burdin, S Burnett, TH Busato, E Butler, JM Bystricky, J Carvalho, W Casey, BCK Cason, NM Castilla-Valdez, H Chakrabarti, S Chakraborty, D Chan, KM Chandra, A Chapin, D Charles, F Cheu, E Chevalier, L Cho, DK Choi, S Christiansen, T Christofek, L Claes, D Clement, B Clement, C Coadou, Y Cooke, M Cooper, WE Coppage, D Corcoran, M Coss, J Cothenet, A Cousinou, MC Crepe-Renaudin, S Cristetiu, M Cummings, MAC Cutts, D da Motta, H Davies, B Davies, G Davis, GA De, K de Jong, P de Jong, SJ De La Cruz-Burelo, E Martins, CD Dean, S Deliot, F Delsart, PA Demarteau, M Demina, R Demine, P Denisov, D Denisov, SP Desai, S Diehl, HT Diesburg, M Doidge, M Dong, H Doulas, S Duflot, L Dugad, SR Duperrin, A Dyer, J Dyshkant, A Eads, M Edmunds, D Edwards, T Ellison, J Elmsheuser, J Eltzroth, JT Elvira, VD Eno, S Ermolov, P Eroshin, OV Estrada, J Evans, D Evans, H Evdokimov, A Evdokimov, VN Fast, J Fatakia, SN Feligioni, L Ferbel, T Fiedler, F Filthaut, F Fisher, W Fisk, HE Fortner, M Fox, H Freeman, W Fu, S Fuess, S Gadfort, T Galea, CF Gallas, E Galyaev, E Garcia, C Garcia-Bellido, A Gardner, J Gavrilov, V Gay, P Gele, D Gelhaus, R Genser, K Gerber, CE Gershtein, Y Ginther, G Golling, T Gomez, B Gounder, K Goussiou, A Grannis, PD Greder, S Greenlee, H Greenwood, ZD Gregores, EM Gris, P Grivaz, JF Groer, L Grunendahl, S Grunewald, MW Gurzhiev, SN Gutierrez, G Gutierrez, P Haas, A Hadley, NJ Hagopian, S Hall, I Hall, RE Han, C Han, L Hanagaki, K Harder, K Harrington, R Hauptman, JM Hauser, R Hays, J Hebbeker, T Hedin, D Heinmiller, JM Heinson, AP Heintz, U Hensel, C Hesketh, G Hildreth, MD Hirosky, R Hobbs, JD Hoeneisen, B Hohlfeld, M Hong, SJ Hooper, R Houben, P Hu, Y Huang, J Iashvili, I Illingworth, R Ito, AS Jabeen, S Jaffre, M Jain, S Jain, V Jakobs, K Jenkins, A Jesik, R Johns, K Johnson, M Jonckheere, A Jonsson, P Jostlein, H Juste, A Kado, MM Kafer, D Kahl, W Kahn, S Kajfasz, E Kalinin, AM Kalk, J Karmanov, D Kasper, J Kau, D Kehoe, R Kermiche, S Kesisoglou, S Khanov, A Kharchilava, A Kharzheev, YM Kim, KH Klima, B Klute, M Kohli, JM Kopal, M Korablev, VM Kotcher, J Kothari, B Koubarovsky, A Kozelov, AV Kozminski, J Krzywdzinski, S Kuleshov, S Kulik, Y Kunori, S Kupco, A Kurca, T Lager, S Lahrichi, N Landsberg, G Lazoflores, J Le Bihan, AC Lebrun, P Lee, SW Lee, WM Leflat, A Lehner, F Leonidopoulos, C Lewis, P Li, J Li, QZ Lima, JGR Lincoln, D Linn, SL Linnemann, J Lipaev, VV Lipton, R Lobo, L Lobodenko, A Lokajicek, M Lounis, A Lubatti, HJ Lueking, L Lynker, M Lyon, AL Maciel, AKA Madaras, RJ Mattig, P Magerkurth, A Magnan, AM Makovec, N Mal, PK Malik, S Malyshev, VL Mao, HS Maravin, Y Martens, M Mattingly, SEK Mayorov, AA McCarthy, R McCroskey, R Meder, D Melanson, HL Melnitchouk, A Merkin, M Merritt, KW Meyer, A Miettinen, H Mihalcea, D Mitrevski, J Mokhov, N Molina, J Mondal, NK Montgomery, HE Moore, RW Muanza, GS Mulders, M Mutaf, YD Nagy, E Narain, M Naumann, NA Neal, HA Negret, JP Nelson, S Neustroev, P Noeding, C Nomerotski, A Novaes, SF Nunnemann, T Nurse, E O'Dell, V O'Neil, DC Oguri, V Oliveira, N Oshima, N Garzon, GJOY Padley, P Parashar, N Park, J Park, SK Parsons, J Partridge, R Parua, N Patwa, A Perea, PM Perez, E Peters, O Petroff, P Petteni, M Phaf, L Piegaia, R Podesta-Lerma, PLM Podstavkov, VM Pogorelov, Y Pope, BG da Silva, WLP Prosper, HB Protopopescu, S Przybycien, MB Qian, J Quadt, A Quinn, B Rani, KJ Rapidis, PA Ratoff, PN Reay, NW Reucroft, S Rijssenbeek, M Ripp-Baudot, I Rizatdinova, F Royon, C Rubinov, P Ruchti, R Sajot, G Sanchez-Hernandez, A Sanders, MP Santoro, A Savage, G Sawyer, L Scanlon, T Schamberger, RD Schellman, H Schieferdecker, P Schmitt, C Schukin, AA Schwartzman, A Schwienhorst, R Sengupta, S Severini, H Shabalina, E Shamim, M Shary, V Shephard, WD Shpakov, D Sidwell, RA Simak, V Sirotenko, V Skubic, P Slattery, P Smith, RP Smolek, K Snow, GR Snow, J Snyder, S Soldner-Rembold, S Song, X Song, Y Sonnenschein, L Sopczak, A Sosebee, M Soustruznik, K Souza, M Spurlock, B Stanton, NR Stark, J Steele, J Steinbruck, G Stevenson, K Stolin, V Stone, A Stoyanova, DA Strandberg, J Strang, MA Strauss, M Strohmer, R Strovink, M Stutte, L Sumowidagdo, S Sznajder, A Talby, M Tamburello, P Taylor, W Telford, P Temple, J Tentindo-Repond, S Thomas, E Thooris, B Tomoto, M Toole, T Torborg, J Towers, S Trefzger, T Trincaz-Duvoid, S Tuchming, B Tully, C Turcot, AS Tuts, PM Uvarov, L Uvarov, S Uzunyan, S Vachon, B Van Kooten, R van Leeuwen, WM Varelas, N Varnes, EW Vasilyev, IA Vaupel, M Verdier, P Vertogradov, LS Verzocchi, M Villeneuve-Seguier, F Vlimant, JR Von Toerne, E Vreeswijk, M Anh, TV Wahl, HD Walker, R Wang, L Wang, ZM Warchol, J Warsinsky, M Watts, G Wayne, M Weber, M Weerts, H Wegner, M Wermes, N White, A White, V Whiteson, D Wicke, D Wijngaarden, DA Wilson, GW Wimpenny, SJ Wittlin, J Wobisch, M Womersley, J Wood, DR Wyatt, TR Xu, Q Xuan, N Yamada, R Yan, M Yasuda, T Yatsunenko, YA Yen, Y Yip, K Youn, SW Yu, J Yurkewicz, A Zabi, A Zatserklyaniy, A Zdrazil, M Zeitnitz, C Zhang, D Zhang, X Zhao, T Zhao, Z Zhou, B Zhu, J Zielinski, M Zieminska, D Zieminski, A Zitoun, R Zutshi, V Zverev, EG Zylberstejn, A CA D0 Collaborat TI Measurement of the ratio of inclusive cross sections sigma(p(p)over-bar -> Z plus b jet)/sigma(p(p)over-bar -> Z plus jet) at root s=1.96 TeV SO PHYSICAL REVIEW LETTERS LA English DT Article AB Using the data collected with the D0 detector at root s=1.96 TeV, for integrated luminosities of about 180 pb(-1), we have measured the ratio of inclusive cross sections for p(p) over bar -> Z+b jet to p(p) over bar -> Z+jet production. The inclusive Z+b-jet reaction is an important background to searches for the Higgs boson in associated ZH production at the Fermilab Tevatron collider. Our measurement is the first of its kind, and relies on the Z -> e(+)e(-) and Z ->mu(+)mu(-) modes. The combined measurement of the ratio yields 0.021 +/- 0.005 for hadronic jets with transverse momenta p(T)> 20 GeV/c and pseudorapidities vertical bar eta vertical bar < 2.5, consistent with next-to-leading-order predictions of the standard model. C1 Joint Inst Nucl Res, Dubna, Russia. Univ Buenos Aires, Buenos Aires, DF, Argentina. Ctr Brasileiro Pesquisas Fis, LAFEX, Rio De Janeiro, Brazil. Univ Estado Rio de Janeiro, Rio De Janeiro, Brazil. Univ Estadual Paulista, Inst Fis Teor, BR-01405 Sao Paulo, Brazil. Simon Fraser Univ, Burnaby, BC V5A 1S6, Canada. Univ Alberta, Edmonton, AB, Canada. McGill Univ, Montreal, PQ, Canada. York Univ, Toronto, ON M3J 2R7, Canada. Inst High Energy Phys, Beijing 100039, Peoples R China. Univ Los Andes, Bogota, Colombia. Charles Univ Prague, Ctr Particle Phys, Prague, Czech Republic. Czech Tech Univ, CR-16635 Prague, Czech Republic. Acad Sci Czech Republic, Inst Phys, Ctr Particle Phys, Prague, Czech Republic. Univ San Francisco Quito, Quito, Ecuador. Univ Clermont Ferrand, CNRS, IN2P3, Phys Corpusculaire Lab, Clermont Ferrand, France. Univ Grenoble 1, CNRS, IN2P3, Lab Phys Subatom & Cosmol, Grenoble, France. Univ Aix Marseille 2, CNRS, IN2P3, CPPM, Marseille, France. CNRS, IN2P3, Lab Accelerateur Lineaire, F-91405 Orsay, France. Univ Paris 06, LPNHE, Paris, France. Univ Paris 07, CNRS, IN2P3, Paris, France. CEA Saclay, Serv Phys Particules, DAPNIA, Paris, France. Univ Strasbourg, CNRS, IN2P3, IReS, Strasbourg, France. Univ Haute Alsace, Mulhouse, France. Univ Lyon 1, CNRS, IN2P3, Inst Phys Nucl Lyon, F-69622 Villeurbanne, France. Rhein Westfal TH Aachen, Inst Phys 3 A, D-5100 Aachen, Germany. Univ Bonn, Inst Phys, D-5300 Bonn, Germany. Univ Freiburg, Inst Phys, Freiburg, Germany. Johannes Gutenberg Univ Mainz, Inst Phys, D-6500 Mainz, Germany. Univ Munich, Munich, Germany. Univ Wuppertal, Fachbereich Phys, Wuppertal, Germany. Panjab Univ, Chandigarh 160014, India. Tata Inst Fundamental Res, Bombay 400005, Maharashtra, India. Univ Coll Dublin, Dublin 2, Ireland. Korea Univ, Korea Detector Lab, Seoul 136701, South Korea. CINVESTAV, Mexico City 14000, DF, Mexico. NIKHEF H, FOM Inst, NL-1009 DB Amsterdam, Netherlands. Univ Amsterdam, NIKHEF H, Amsterdam, Netherlands. Univ Nijmegen, NIKHEF H, Nijmegen, Netherlands. Inst Theoret & Expt Phys, Moscow 117259, Russia. Moscow MV Lomonosov State Univ, Moscow, Russia. Inst High Energy Phys, Protvino, Russia. Petersburg Nucl Phys Inst, St Petersburg, Russia. Lund Univ, Lund, Sweden. Royal Inst Technol, Stockholm, Sweden. Stockholm Univ, S-10691 Stockholm, Sweden. Uppsala Univ, Uppsala, Sweden. Univ Lancaster, Lancaster, England. Univ London Imperial Coll Sci & Technol, London, England. Univ Manchester, Manchester, Lancs, England. Univ Arizona, Tucson, AZ 85721 USA. Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Univ Calif Berkeley, Berkeley, CA 94720 USA. Calif State Univ Fresno, Fresno, CA 93740 USA. Univ Calif Riverside, Riverside, CA 92521 USA. Florida State Univ, Tallahassee, FL 32306 USA. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Univ Illinois, Chicago, IL 60607 USA. No Illinois Univ, De Kalb, IL 60115 USA. Northwestern Univ, Evanston, IL 60208 USA. Indiana Univ, Bloomington, IN 47405 USA. Univ Notre Dame, Notre Dame, IN 46556 USA. Iowa State Univ, Ames, IA 50011 USA. Univ Kansas, Lawrence, KS 66045 USA. Kansas State Univ, Manhattan, KS 66506 USA. Louisiana Tech Univ, Ruston, LA 71272 USA. Univ Maryland, College Pk, MD 20742 USA. Boston Univ, Boston, MA 02215 USA. Northeastern Univ, Boston, MA 02115 USA. Univ Michigan, Ann Arbor, MI 48109 USA. Michigan State Univ, E Lansing, MI 48824 USA. Univ Mississippi, University, MS 38677 USA. Univ Nebraska, Lincoln, NE 68588 USA. Princeton Univ, Princeton, NJ 08544 USA. Columbia Univ, New York, NY 10027 USA. Univ Rochester, Rochester, NY 14627 USA. SUNY Stony Brook, Stony Brook, NY 11794 USA. Brookhaven Natl Lab, Upton, NY 11973 USA. Langston Univ, Langston, OK 73050 USA. Univ Oklahoma, Norman, OK 73019 USA. Brown Univ, Providence, RI 02912 USA. Univ Texas, Arlington, TX 76019 USA. So Methodist Univ, Dallas, TX 75275 USA. Rice Univ, Houston, TX 77005 USA. Univ Virginia, Charlottesville, VA 22901 USA. Univ Washington, Seattle, WA 98195 USA. RP Joint Inst Nucl Res, Dubna, Russia. RI Juste, Aurelio/I-2531-2015; Oguri, Vitor/B-5403-2013; Alves, Gilvan/C-4007-2013; Santoro, Alberto/E-7932-2014; Deliot, Frederic/F-3321-2014; Sharyy, Viatcheslav/F-9057-2014; Canelli, Florencia/O-9693-2016; Sznajder, Andre/L-1621-2016; Leflat, Alexander/D-7284-2012; Gutierrez, Phillip/C-1161-2011; Nomerotski, Andrei/A-5169-2010; Telford, Paul/B-6253-2011; Yip, Kin/D-6860-2013; Kuleshov, Sergey/D-9940-2013; De, Kaushik/N-1953-2013; Fisher, Wade/N-4491-2013; Merkin, Mikhail/D-6809-2012; Novaes, Sergio/D-3532-2012; Bargassa, Pedrame/O-2417-2016; Grinstein, Sebastian/N-3988-2014 OI Juste, Aurelio/0000-0002-1558-3291; de Jong, Sijbrand/0000-0002-3120-3367; Landsberg, Greg/0000-0002-4184-9380; Gershtein, Yuri/0000-0002-4871-5449; Duperrin, Arnaud/0000-0002-5789-9825; Hoeneisen, Bruce/0000-0002-6059-4256; Malik, Sudhir/0000-0002-6356-2655; Leonidopoulos, Christos/0000-0002-7241-2114; Blekman, Freya/0000-0002-7366-7098; Blazey, Gerald/0000-0002-7435-5758; Graham, Gerard/0000-0002-7801-204X; Evans, Harold/0000-0003-2183-3127; Beuselinck, Raymond/0000-0003-2613-7446; Sharyy, Viatcheslav/0000-0002-7161-2616; Canelli, Florencia/0000-0001-6361-2117; Sznajder, Andre/0000-0001-6998-1108; Yip, Kin/0000-0002-8576-4311; Kuleshov, Sergey/0000-0002-3065-326X; De, Kaushik/0000-0002-5647-4489; Novaes, Sergio/0000-0003-0471-8549; Sawyer, Lee/0000-0001-8295-0605; Hedin, David/0000-0001-9984-215X; Wahl, Horst/0000-0002-1345-0401; Hays, Chris/0000-0003-2371-9723; Weber, Michele/0000-0002-2770-9031; Melnychuk, Oleksandr/0000-0002-2089-8685; Bassler, Ursula/0000-0002-9041-3057; Filthaut, Frank/0000-0003-3338-2247; Naumann, Axel/0000-0002-4725-0766; Fatakia, Sarosh/0000-0003-0430-3191; Bertram, Iain/0000-0003-4073-4941; Heinson, Ann/0000-0003-4209-6146; grannis, paul/0000-0003-4692-2142; Qian, Jianming/0000-0003-4813-8167; Bean, Alice/0000-0001-5967-8674; Strovink, Mark/0000-0001-7020-7769; Madaras, Ronald/0000-0001-7399-2993; Bargassa, Pedrame/0000-0001-8612-3332; Begel, Michael/0000-0002-1634-4399; Haas, Andrew/0000-0002-4832-0455; Grinstein, Sebastian/0000-0002-6460-8694 NR 8 TC 108 Z9 110 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. 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PD APR 29 PY 2005 VL 94 IS 16 AR 161801 DI 10.1103/PhysRevLett.94.161801 PG 7 WC Physics, Multidisciplinary SC Physics GA 921KS UT WOS:000228763800015 PM 15783547 ER PT J AU Aubert, B Barate, R Boutigny, D Couderc, F Gaillard, JM Hicheur, A Karyotakis, Y Lees, JP 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 Kukartsev, G Lynch, G Mir, LM Oddone, PJ Orimoto, TJ Pripstein, M Roe, NA Ronan, MT Shelkov, VG Wenzel, WA Barrett, M Ford, KE Harrison, TJ Hart, AJ Hawkes, CM Morgan, SE Watson, AT Fritsch, M Goetzen, K Held, T Koch, H Lewandowski, B Pelizaeus, M Steinke, M Boyd, JT Chevalier, N Cottingham, WN Kelly, MP Latham, TE Wilson, FF Cuhadar-Donszelmann, T Hearty, C Knecht, NS Mattison, TS McKenna, JA Thiessen, D Khan, A Kyberd, P Teodorescu, L 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Wagner, G Waldi, R Adye, T De Groot, N Franek, B Geddes, NI Gopal, GP Olaiya, EO Aleksan, R Emery, S Gaidot, A Ganzhur, SF Giraud, PF de Monchenault, GH Kozanecki, W Legendre, M London, GW Mayer, B Schott, G Vasseur, G Yeche, C Zito, M Purohit, MV Weidemann, AW Wilson, JR Yumiceva, FX Aston, D Bartoldus, R Berger, N Boyarski, AM Buchmueller, OL Claus, R Convery, MR Cristinziani, M De Nardo, G Dong, D Dorfan, J Dujmic, D Dunwoodie, W Elsen, EE Fan, S Field, RC Glanzman, T Gowdy, SJ Hadig, T Halyo, V Hast, C Hryn'ova, T Innes, WR Kelsey, MH Kim, P Kocian, ML Leith, DWGS Libby, J 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 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 Wittgen, M Wright, DH Yarritu, AK Young, CC Burchat, PR Edwards, AJ Meyer, TI Petersen, BA Roat, C Ahmed, S Alam, MS Ernst, JA Saeed, MA Saleem, M Wappler, FR Bugg, W Krishnamurthy, M Spanier, SM Eckmann, R Kim, H Ritchie, JL Satpathy, A Schwitters, RF Izen, JM Kitayama, I Lou, XC Ye, S Bianchi, F Bona, M Gallo, F Gamba, D Bosisio, L Cartaro, C Cossutti, F 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 Sobie, RJ Band, HR Cheng, B Dasu, S Datta, M Eichenbaum, AM Graham, M Hollar, JJ Johnson, JR Kutter, PE Li, H Liu, R Mihalyi, A Mohapatra, AK Pan, Y Prepost, R Tan, P von Wimmersperg-Toeller, JH Wu, J Wu, SL Yu, Z Greene, MG Neal, H CA BaBar Collaboration TI Improved measurement of CP asymmetries in B-0 ->(c(c)over-bar)K0((*)) decays SO PHYSICAL REVIEW LETTERS LA English DT Article ID VIOLATION AB We present results on time-dependent CP asymmetries in neutral B decays to several CP eigenstates. The measurements use a data sample of about 227x10(6) Upsilon(4S)-> B (B) over bar decays collected by the BABAR detector at the PEP-II asymmetric-energy B Factory at SLAC. The amplitude of the CPasymmetry, sin2 beta in the standard model, is derived from decay-time distributions from events in which one neutral B meson is fully reconstructed in a final state containing a charmonium meson and the other B meson is determined to be either a B-0 or <<(B)over bar>(0) from its decay products. We measure sin2 beta=0.722 +/- 0.040(stat)+/- 0.023(syst) in agreement with the standard model expectation. C1 Lab Annecy Le Vieux Phys Particules, F-74941 Annecy Le Vieux, France. Univ Bari, Dipartimento Fis, I-70126 Bari, Italy. 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 Lab, Berkeley, CA 94720 USA. Univ Calif Berkeley, Berkeley, CA 94720 USA. 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RI Saeed, Mohammad Alam/J-7455-2012; 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; 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; de Groot, Nicolo/A-2675-2009; Lista, Luca/C-5719-2008; Bellini, Fabio/D-1055-2009; crosetti, nanni/H-3040-2011; Roe, Natalie/A-8798-2012; 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; Sarti, Alessio/I-2833-2012 OI Saeed, Mohammad Alam/0000-0002-3529-9255; 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; 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; 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; Sarti, Alessio/0000-0001-5419-7951 NR 15 TC 98 Z9 97 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 29 PY 2005 VL 94 IS 16 AR 161803 DI 10.1103/PhysRevLett.94.161803 PG 7 WC Physics, Multidisciplinary SC Physics GA 921KS UT WOS:000228763800017 PM 15904213 ER PT J AU Bearden, IG Beavis, D Besliu, C Budick, B Boggild, H Chasman, C Christensen, CH Christiansen, P Cibor, J Debbe, R Enger, E Gaardhoje, JJ Germinario, M Hagel, K Hansen, O Holm, A Holme, AK Ito, H Jipa, A Jundt, F Jordre, JI Jorgensen, CE Karabowicz, R Kim, EJ Kozik, T Larsen, TM Lee, JH Lee, YK Lovhoiden, G Majka, Z Makeev, A Mikelsen, M Murray, M Natowitz, J Nielsen, BS Norris, J Olchanski, K Ouerdane, D Planeta, R Rami, F Ristea, C Rohrich, D Samset, BH Sandberg, D Sanders, SJ Sheetz, RA Staszel, P Tveter, TS Videbaek, F Wada, R Yin, Z Zgura, IS AF Bearden, IG Beavis, D Besliu, C Budick, B Boggild, H Chasman, C Christensen, CH Christiansen, P Cibor, J Debbe, R Enger, E Gaardhoje, JJ Germinario, M Hagel, K Hansen, O Holm, A Holme, AK Ito, H Jipa, A Jundt, F Jordre, JI Jorgensen, CE Karabowicz, R Kim, EJ Kozik, T Larsen, TM Lee, JH Lee, YK Lovhoiden, G Majka, Z Makeev, A Mikelsen, M Murray, M Natowitz, J Nielsen, BS Norris, J Olchanski, K Ouerdane, D Planeta, R Rami, F Ristea, C Rohrich, D Samset, BH Sandberg, D Sanders, SJ Sheetz, RA Staszel, P Tveter, TS Videbaek, F Wada, R Yin, Z Zgura, IS CA BRAHMS Collaboration TI Charged meson rapidity distributions in central Au plus Au collisions at root s(NN)=200 GeV SO PHYSICAL REVIEW LETTERS LA English DT Article ID HYDRODYNAMICAL MODEL AB We have measured rapidity densities dN/dy of pi(+/-) and K+/- over a broad rapidity range (-0.1 < y < 3.5) for central Au+Au collisions at root s(NN)=200 GeV. These data have significant implications for the chemistry and dynamics of the dense system that is initially created in the collisions. The full phase-space yields are 1660 +/- 15 +/- 133 (pi(+)), 1683 +/- 16 +/- 135 (pi(-)), 286 +/- 5 +/- 23 (K+), and 242 +/- 4 +/- 19 (K-). The systematics of the strange to nonstrange meson ratios are found to track the variation of the baryochemical potential with rapidity and energy. Landau-Carruthers hydrodynamics is found to describe the bulk transport of the pions in the longitudinal direction. C1 Univ Copenhagen, Niels Bohr Inst, DK-2100 Copenhagen, Denmark. Brookhaven Natl Lab, Upton, NY 11973 USA. Inst Rech Subatom, Strasbourg, France. Univ Strasbourg 1, Strasbourg, France. Inst Nucl Phys, Krakow, Poland. Jagiellonian Univ, Krakow, Poland. Johns Hopkins Univ, Baltimore, MD 21218 USA. NYU, New York, NY 10003 USA. Texas A&M Univ, College Stn, TX 77843 USA. Univ Bergen, Dept Phys, Bergen, Norway. Univ Bucharest, Bucharest, Romania. Univ Kansas, Lawrence, KS 66049 USA. Univ Oslo, Dept Phys, Oslo, Norway. RP Bearden, IG (reprint author), Univ Copenhagen, Niels Bohr Inst, Blegdamsvej 17, DK-2100 Copenhagen, Denmark. RI Christensen, Christian Holm/A-4901-2010; Christensen, Christian/D-6461-2012; Bearden, Ian/M-4504-2014; Samset, Bjorn H./B-9248-2012 OI Christensen, Christian Holm/0000-0002-1850-0121; Christensen, Christian/0000-0002-1850-0121; Bearden, Ian/0000-0003-2784-3094; Samset, Bjorn H./0000-0001-8013-1833 NR 20 TC 155 Z9 161 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 29 PY 2005 VL 94 IS 16 AR 162301 DI 10.1103/PhysRevLett.94.162301 PG 4 WC Physics, Multidisciplinary SC Physics GA 921KS UT WOS:000228763800020 PM 15904216 ER PT J AU Ito, TM Prezeau, G AF Ito, TM Prezeau, G TI Neutrino mass constraints on beta decay SO PHYSICAL REVIEW LETTERS LA English DT Article ID COSMOLOGICAL PARAMETERS; LIMITS; CURRENTS; PHYSICS; AR-32; WMAP AB Using the general connection between the upper limit on the neutrino mass and the upper limits on certain types of non-standard-model interactions that can generate loop corrections to the neutrino mass, we derive constraints on some non-standard-model d -> ue(-)(v) over bar interactions. When cast into limits on n -> pe(-)(v) over bar coupling constants, our results yield constraints on scalar and tensor weak interactions improved by more than an order of magnitude over the current experimental limits. When combined with the existing limits, our results yield |C-S/C-V|less than or similar to 5x10(-3), vertical bar C-S'/C-V vertical bar less than or similar to 5x10(-3), vertical bar C-T/C-A vertical bar less than or similar to 1.2x10(-2), and vertical bar C-T'/C-A vertical bar less than or similar to 1.2x10(-2). C1 Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. RP Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. NR 21 TC 14 Z9 14 U1 0 U2 2 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 29 PY 2005 VL 94 IS 16 AR 161802 DI 10.1103/PhysRevLett.94.161802 PG 4 WC Physics, Multidisciplinary SC Physics GA 921KS UT WOS:000228763800016 PM 15904212 ER PT J AU Smith, JA Seltzer, GO Farber, DL Rodbell, DT Finkel, RC AF Smith, JA Seltzer, GO Farber, DL Rodbell, DT Finkel, RC TI Early local last glacial maximum in the tropical Andes SO SCIENCE LA English DT Article ID SOUTH-AMERICA; LAKE TITICACA; CLIMATE; HISTORY; ALTIPLANO; BOLIVIA; PERU AB The local last glacial maximum in the tropical Andes was earlier and less extensive than previously thought, based on 106 cosmogenic ages (from beryllium-10 dating) from moraines in Peru and Bolivia. Glaciers reached their greatest extent in the last glacial cycle similar to 34,000 years before the present and were retreating by similar to 21,000 years before the present, implying that tropical controls on ice volumes were asynchronous with those in the Northern Hemisphere. Our estimates of snowline depression reflect about half the temperature change indicated by previous widely cited figures, which helps resolve the discrepancy between estimates of terrestrial and marine temperature depression during the last glacial cycle. C1 Syracuse Univ, Dept Earth Sci, Heroy Geol Lab 204, Syracuse, NY 13244 USA. Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. Union Coll, Dept Geol, Schenectady, NY 12308 USA. Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry, Livermore, CA 94550 USA. RP Smith, JA (reprint author), Syracuse Univ, Dept Earth Sci, Heroy Geol Lab 204, Syracuse, NY 13244 USA. EM jasmit10@syr.edu RI Farber, Daniel/F-9237-2011 NR 29 TC 103 Z9 105 U1 1 U2 13 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 29 PY 2005 VL 308 IS 5722 BP 678 EP 681 DI 10.1126/science.1107075 PG 4 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 922BO UT WOS:000228810900045 PM 15860623 ER PT J AU Pardo, M Kwong, LG Sberveglieri, G Brubaker, K Schneider, JF Penrose, WR Stetter, JR AF Pardo, M Kwong, LG Sberveglieri, G Brubaker, K Schneider, JF Penrose, WR Stetter, JR TI Data analysis for a hybrid sensor array SO SENSORS AND ACTUATORS B-CHEMICAL LA English DT Article; Proceedings Paper CT 10th International Symposium on Olfaction and Electronic Noses (ISOEN) CY JUN 25-28, 2003 CL Univ Latvia, Riga, LATVIA HO Univ Latvia DE data analysis; hybrid sensor array; electronic nose; feature selection ID SYSTEMS AB We present the results obtained in measuring diverse food products with the Moses 11 electronic nose (EN) equipped with three different classes of chemical sensors; namely, seven quartz micro-balances (QMB), eight semiconductor sensors (S) and four electrochemical cells (EC). Data are analyzed both with traditional PCA plots, pointing out the limits encountered by this technique and via exhaustive sensor selection. The principal sensor selection results are that: (a) the ranking of the sensor type with regard to discrimination is QCM > EC > S; (b) selected hybrid sensors have much better performances than selected sensors from any single sensor class (test set error lowered by circa 35%); (c) sensors selected from the hybrid array also have better performances than the complete set of hybrid sensors (test set error lowered by circa 25%); and in particular (d) a subsets of as few as two sensors (one QCM, one EC cell) give results similar or better to all 19 sensors. © 2004 Elsevier B.V. All rights reserved. C1 Univ Brescia, Brescia, Italy. INFM, Brescia, Italy. Xavier Univ, Oro City, Philippines. Argonne Natl Lab, Argonne, IL 60439 USA. IIT, Chicago, IL 60616 USA. RP Pardo, M (reprint author), Univ Brescia, Brescia, Italy. EM pardo@ing.unibs.it RI Sberveglieri, Giorgio/A-5030-2010; pardo, matteo/D-7090-2011 OI Sberveglieri, Giorgio/0000-0003-0080-8117; NR 9 TC 27 Z9 29 U1 1 U2 5 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 29 PY 2005 VL 106 IS 1 BP 136 EP 143 DI 10.1016/j.snb.2004.05.045 PG 8 WC Chemistry, Analytical; Electrochemistry; Instruments & Instrumentation SC Chemistry; Electrochemistry; Instruments & Instrumentation GA 924VW UT WOS:000229009900022 ER PT J AU Kosacki, I Rouleau, CM Becher, PF Bentley, J Lowndes, DH AF Kosacki, I Rouleau, CM Becher, PF Bentley, J Lowndes, DH TI Nanoscale effects on the ionic conductivity in highly textured YSZ thin films SO SOLID STATE IONICS LA English DT Article DE YSZ; ion conductors; nanomaterials ID YTTRIA-STABILIZED ZIRCONIA; ELECTRICAL-CONDUCTIVITY; TRANSPORT; DIFFUSION; INTERFACE; SURFACE; ZRO2 AB The electrical conductivity of highly textured Yttria Stabilized Zirconia (YSZ) thin films deposited onto a MgO substrate can be enhanced significantly at thickness < 60 nm. The structure of these films is characterized by a negligible dislocation network coupled with only one film/substrate interface, which results in the absence of blocking effects. The in-plane conductivity measurements as a function of temperature and film thickness reveal a nanoscale effect with exceptionally high ionic conductivity for film thickness < 60 nm. The observed behavior is attributed to a significant contribution from interface conductivity with decrease in the film thickness. The analysis of presented results was performed using the rule of mixtures model and the lattice (grain) and interface related conductivities were separated. It was estimated that the thickness of interface layer is about 1.6 nm and interfacial conductivity is over three orders of magnitude larger than the lattice related conductivity, which illustrated the tremendous potential of nanoscaled materials. (c) 2005 Elsevier B.V. All rights reserved. C1 Oak Ridge Natl Lab, Div Met & Ceram, Oak Ridge, TN 37831 USA. Oak Ridge Natl Lab, Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. RP Kosacki, I (reprint author), Oak Ridge Natl Lab, Div Met & Ceram, Oak Ridge, TN 37831 USA. EM kosackiip@ornl.gov RI Rouleau, Christopher/Q-2737-2015 OI Rouleau, Christopher/0000-0002-5488-3537 NR 29 TC 223 Z9 227 U1 11 U2 86 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-2738 J9 SOLID STATE IONICS JI Solid State Ion. PD APR 29 PY 2005 VL 176 IS 13-14 BP 1319 EP 1326 DI 10.1016/j.ssi.2005.02.021 PG 8 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA 935DE UT WOS:000229758800017 ER PT J AU Salle, B Cremers, DA Maurice, S Wiens, RC AF Salle, B Cremers, DA Maurice, S Wiens, RC TI Laser-induced breakdown spectroscopy for space exploration applications: Influence of the ambient pressure on the calibration curves prepared from soil and clay samples SO SPECTROCHIMICA ACTA PART B-ATOMIC SPECTROSCOPY LA English DT Article DE laser-induced breakdown spectroscopy; reduced pressure; matrix effects; soils; clays; space applications ID INDIVIDUAL FLUID INCLUSIONS; PLASMA EMISSION; YAG LASER; ABLATION; SPECTROMETRY; ATMOSPHERE; METALS; AIR; FEASIBILITY; IRRADIATION AB Recently, there has been an increasing interest in the laser-induced breakdown spectroscopy (LIBS) technique for stand-off detection of geological samples for use on landers and rovers to Mars, and for other space applications. For space missions, LIBS analysis capabilities must be investigated and instrumental development is required to take into account constraints such as size, weight, power and the effect of environmental atmosphere (pressure and ambient gas) on flight instrument performance. In this paper, we study the in-situ LIBS method at reduced pressure (7 Torr CO2 to simulate the Martian atmosphere) and near vacuum (50 mTorr in air to begin to simulate the Moon or asteroids' pressure) as well as at atmospheric pressure in air (for Earth conditions and comparison). Here in-situ corresponds to distances on the order of 150 mm in contrast to stand-off analysis at distance of many meters. We show the influence of the ambient pressure on the calibration curves prepared from certified soil and clay pellets. In order to detect simultaneously all the elements commonly observed in terrestrial soils, we used an Echelle spectrograph. The results are discussed in terms of calibration curves, measurement precision, plasma light collection system efficiency and matrix effects. (c) 2005 Elsevier B.V. All rights reserved. C1 CNRS, INSU, F-75766 Paris, France. Los Alamos Natl Lab, Adv Chem Diagnost & Instrumentat Grp, Los Alamos, NM 87545 USA. Ctr Etud Spatiale Rayonnements, Observ Midi Pyrenees, F-31400 Toulouse, France. Los Alamos Natl Lab, Space & Atmospher Sci Grp, Los Alamos, NM 87545 USA. RP Salle, B (reprint author), CEA Saclay, DEN, DPC, SCP,LRSI, Bat 391, F-91191 Gif Sur Yvette, France. EM salle@carnac.cea.fr NR 37 TC 103 Z9 106 U1 3 U2 37 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0584-8547 J9 SPECTROCHIM ACTA B JI Spectroc. Acta Pt. B-Atom. Spectr. PD APR 29 PY 2005 VL 60 IS 4 BP 479 EP 490 DI 10.1016/j.sab.2005.02.009 PG 12 WC Spectroscopy SC Spectroscopy GA 937VX UT WOS:000229955200007 ER PT J AU Meriaux, AS Tapponnier, P Ryerson, FJ Xu, XW King, G Van der Woerd, J Finkel, RC Li, HB Caffee, MW Xu, ZQ Chen, WB AF Meriaux, AS Tapponnier, P Ryerson, FJ Xu, XW King, G Van der Woerd, J Finkel, RC Li, HB Caffee, MW Xu, ZQ Chen, WB TI The Aksay segment of the northern Altyn Tagh fault: Tectonic geomorphology, landscape evolution, and Holocene slip rate SO JOURNAL OF GEOPHYSICAL RESEARCH-SOLID EARTH LA English DT Article ID FINITE STRAIN CALCULATIONS; WESTERN HAIYUAN FAULT; INDIA-ASIA COLLISION; SAN-ANDREAS FAULT; CRUSTAL DEFORMATION; ACTIVE FAULTS; TIBET PLATEAU; CONTINENTAL DEFORMATION; COSMOGENIC NUCLIDES; MANTLE SUBDUCTION AB Millennial slip rates have been determined for the Altyn Tagh fault (ATF) at three sites near Aksay (similar to 94 degrees E) in northeastern Tibet by dating fluvial channels and terrace riser offsets with radiocarbon and Be-10-(26) Al surface exposure dating. Up to nine main surfaces are defined on the basis of morphology, elevation, and dating. The abandonment age of some surfaces is constrained by radiocarbon dating, which typically coincides with the youngest cosmogenic ages for a particular surface. Older surface exposure ages are taken to represent the duration of terrace emplacement. Cumulative offsets range from 20 to 260 m and fall in distinct groups, indicative of climatically modulated regional landscape formation. Most samples are younger than similar to 14 ka and postdate the Last Glacial Maximum. The end of the early Holocene optimum marks the boundary between the ages of the two main terrace levels at 5-6 ka. At this longitude the ATF is divided into a northern and southern branch. The northern ATF should thus yield a minimum rate for the ATF system. Slip rate estimates using the abandonment age of the overlying level for fill terraces or channels and the emplacement of the underlying level for strath terraces give 30 consistent results, yielding an average Holocene rate of 17.8 +/- 3.6 mm/yr. It is similar to 9 mm/yr less than the long-term rate obtained near Tura at similar to 87 degrees E (26.9 +/- 6.9 mm/yr), in keeping with the inference of an eastward decreasing rate on the ATF, due to increased thrusting to the south. However, it remains twice the rate determined by GPS studies. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Inst Phys Globe, CNRS, UMR 7578, Lab Tecton Mecan Lithosphere, F-75252 Paris, France. China Earthquake Adm, Inst Geol, Beijing 100036, Peoples R China. Minist Land & Resources, Inst Geol, Beijing 100037, Peoples R China. RP Meriaux, AS (reprint author), Lawrence Livermore Natl Lab, POB 808,L-206, Livermore, CA 94550 USA. EM meriaux1@llnl.gov RI Meriaux, Anne-Sophie/G-1754-2010; Tapponnier, .Paul/B-7033-2011; Caffee, Marc/K-7025-2015 OI Tapponnier, .Paul/0000-0002-7135-1962; Caffee, Marc/0000-0002-6846-8967 NR 78 TC 78 Z9 87 U1 0 U2 3 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 28 PY 2005 VL 110 IS B4 AR B04404 DI 10.1029/2004JB003210 PG 32 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 923HC UT WOS:000228899800002 ER PT J AU Mucha, M Frigato, T Levering, LM Allen, HC Tobias, DJ Dang, LX Jungwirth, P AF Mucha, M Frigato, T Levering, LM Allen, HC Tobias, DJ Dang, LX Jungwirth, P TI Unified molecular picture of the surfaces of aqueous acid, base, and salt solutions SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID WATER LIQUID/VAPOR INTERFACE; SUM-FREQUENCY GENERATION; AIR/WATER INTERFACE; DYNAMICS SIMULATION; BUBBLE COALESCENCE; VAPOR INTERFACE; SOLVATION; ION; CLUSTERS; ANION AB The molecular structure of the interfacial regions of aqueous electrolytes is poorly understood, despite its crucial importance in many biological, technological, and atmospheric processes. A long-term controversy pertains between the standard picture of an ion-free surface layer and the strongly ion specific behavior indicating in many cases significant propensities of simple inorganic ions for the interface. Here, we present a unified and consistent view of the structure of the air/solution interface of aqueous electrolytes containing monovalent inorganic ions. Molecular dynamics calculations show that in salt solutions and bases the positively charged ions, such as alkali cations, are repelled from the interface, whereas the anions, such as halides or hydroxide, exhibit a varying surface propensity, correlated primarily with the ion polarizability and size. The behavior of acids is different due to a significant propensity of hydronium cations for the air/solution interface. Therefore, both cations and anions exhibit enhanced concentrations at the surface and, consequently, these acids (unlike bases and salts) reduce the surface tension of water. The results of the simulations are supported by surface selective nonlinear vibrational spectroscopy, which reveals among other things that the hydronium cations are present at the air/solution interface. The ion specific propensities for the air/solution interface have important implications for a whole range of heterogeneous physical and chemical processes, including atmospheric chemistry of aerosols, corrosion processes, and bubble coalescence. C1 Acad Sci Czech Republ, Inst Organ Chem & Biochem, CR-16610 Prague, Czech Republic. Acad Sci Czech Republ, Ctr Biomol & Complex Mol Syst, CR-16610 Prague, Czech Republic. Max Planck Inst Biophys, D-60439 Frankfurt, Germany. Ohio State Univ, Dept Chem, Columbus, OH 43210 USA. Univ Calif Irvine, Dept Chem, Irvine, CA 92697 USA. Univ Calif Irvine, Inst Surface & Interface Sci, Irvine, CA 92697 USA. Pacific NW Natl Lab, Div Chem Sci, Richland, WA 99352 USA. RP Jungwirth, P (reprint author), Acad Sci Czech Republ, Inst Organ Chem & Biochem, Flemingovo Nam 2, CR-16610 Prague, Czech Republic. EM pavel.jungwirth@uochb.cas.cz RI Jungwirth, Pavel/D-9290-2011; Tobias, Douglas/B-6799-2015 OI Jungwirth, Pavel/0000-0002-6892-3288; NR 55 TC 305 Z9 306 U1 6 U2 102 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 28 PY 2005 VL 109 IS 16 BP 7617 EP 7623 DI 10.1021/jp0445730 PG 7 WC Chemistry, Physical SC Chemistry GA 919FM UT WOS:000228603700006 PM 16851882 ER PT J AU Sumpter, BG Kumar, P Mehta, A Barnes, MD Shelton, WA Harrison, RJ AF Sumpter, BG Kumar, P Mehta, A Barnes, MD Shelton, WA Harrison, RJ TI Computational study of the structure, dynamics, and photophysical properties of conjugated polymers and oligomers under nanoscale confinement SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Review ID LIGHT-EMITTING-DIODES; ELECTRONIC-ENERGY TRANSFER; DENSITY-FUNCTIONAL THEORY; OPTICAL MICROSCOPY NSOM; MONTE-CARLO-SIMULATION; INTERCHAIN INTERACTIONS; MOLECULAR-DYNAMICS; SEMICONDUCTING POLYMER; FILM MORPHOLOGY; BORN RADII AB Computational simulations were used to investigate the dynamics and resulting structures of several paraphenylenevinylene (PPV) based polymers and oligomers (PPV, 2-methoxy-5-(2'-ethyl-hexyloxy)-p-phenylenevinylene -> MEH-PPV and 2,5,2',5'-tetrahexyloxy-7,8'-dicyano-p-phenylenevinylene -> CN-PPV). The results show how the morphology and structure are controlled to a large extent by the nature of the solute-solvent interactions in the initial solution-phase preparation. Secondary structural organization is induced by using the solution-phase structures to generate solvent-free single molecule nanoparticles. Isolation of these single molecule nanostructures from microdroplets of dilute solution results in the formation of electrostatically oriented nanostructures at a glass surface. Our structural modeling suggests that these oriented nanostructures consist of folded PPV conjugated segments with folds occurring at tetrahedral defects (sp(3) C-C bonds) within the polymer chain. This picture is supported by detailed experimental fluorescence and scanning probe microscopy studies. We also present results from a fully quantum theoretical treatment of these systems which support the general conclusion of structure-mediated photophysical properties. C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. Univ Massachusetts, Dept Chem, Amherst, MA 01003 USA. RP Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM sumpterbg@orn1.gov RI Sumpter, Bobby/C-9459-2013 OI Sumpter, Bobby/0000-0001-6341-0355 NR 120 TC 69 Z9 69 U1 1 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 28 PY 2005 VL 109 IS 16 BP 7671 EP 7685 DI 10.1021/jp0446534 PG 15 WC Chemistry, Physical SC Chemistry GA 919FM UT WOS:000228603700015 PM 16851891 ER PT J AU Yang, XB Toby, BH Camblor, MA Lee, Y Olson, DH AF Yang, XB Toby, BH Camblor, MA Lee, Y Olson, DH TI Propene adsorption sites in zeolite ITQ-12: A combined synchrotron X-ray and neutron diffraction study SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID MAS NMR; SEPARATION; SELECTIVITY AB The adsorption site of propene in the small-pore, pure silica zeolite [Si24O48]-ITW-ITQ-12 has been characterized via Rietveld refinement of the crystal structure of propene-loaded ITQ-12 on the basis of synchrotron X-ray and neutron diffraction data taken at 298 K. The structure can be described with a monoclinic unit cell having On symmetry and unit cell parameters a = 10.436 angstrom, b = 15.018 angstrom, c = 8.855 angstrom, beta = 105.74 degrees, and volume = 1335.9 angstrom(3). Four-fold disordered adsorption sites that are nearly equivalent relative to the cage's 2/m pseudosymmetry are located near the center of each ellipsoidally shaped [4(4)5(4)6(4)8(4)] cage. At this site, the adsorbed propene molecule lies on a plane close and approximately parallel to the equatorial plane of the cage and is aligned with its methylene group pointing toward the pore's eight-ring window. The refined propene concentration, 1.8 per unit cell content, is close to one propene molecule per [4(4)5(4)6(4)8(4)] cage and the amount observed in adsorption experiments at 298 K and 1 atm propene partial pressure. C1 Univ Penn, Dept Chem & Biomol Engn, Philadelphia, PA 19104 USA. NIST, Ctr Neutron Res, Gaithersburg, MD 20899 USA. CSIC, Dept Mat Porosos & Compuestos Intercalac, Inst Ciencia Mat Madrid, Madrid 28049, Spain. Brookhaven Natl Lab, Phys Dept, Upton, NY 11973 USA. RP Yang, XB (reprint author), Univ Penn, Dept Chem & Biomol Engn, Philadelphia, PA 19104 USA. EM Xiaobo.Yang@pci.uni-hannover.de RI Camblor, Miguel/A-5663-2008; Toby, Brian/F-3176-2013; Lee, Yongjae/K-6566-2016 OI Camblor, Miguel/0000-0001-9591-3432; Toby, Brian/0000-0001-8793-8285; NR 21 TC 10 Z9 10 U1 2 U2 10 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 28 PY 2005 VL 109 IS 16 BP 7894 EP 7899 DI 10.1021/jp050778c PG 6 WC Chemistry, Physical SC Chemistry GA 919FM UT WOS:000228603700044 PM 16851920 ER PT J AU Brena, B Zhuang, GV Augustsson, A Liu, G Nordgren, J Guo, JH Ross, PN Luo, Y AF Brena, B Zhuang, GV Augustsson, A Liu, G Nordgren, J Guo, JH Ross, PN Luo, Y TI Conformation dependence of electronic structures of poly(ethylene oxide) SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID RAY PHOTOELECTRON-SPECTROSCOPY; POLYMER ELECTROLYTES; POLYETHYLENE OXIDE; VIBRATIONAL SPECTROSCOPY; EMISSION-SPECTROSCOPY; MOLECULAR-DYNAMICS; NANOCOMPOSITES; TRANSFORMATION; POLYETHERS; SCATTERING AB The electronic structure of pure poly(ethylene oxide) (PEO) for four different polymeric chain conformations has been studied by Hartree-Fock (HF) and density functional theory (DFT) through the analysis of their valence band photoelectron spectroscopy (VB-PES), X-ray emission spectroscopy (XES), and resonant inelastic X-ray scattering (RIXS). It is shown that the valence band of PEO presents specific conformation dependence, which can be used as a fingerprint of the polymeric structures. The calculated spectra have been compared with experimental results for PEO powder. C1 Royal Inst Technol, SE-10691 Stockholm, Sweden. Univ Calif Berkeley, Mat Sci Div, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. Uppsala Univ, Dept Phys, SE-75121 Uppsala, Sweden. Univ Calif Berkeley, Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. RP Luo, Y (reprint author), Royal Inst Technol, SE-10691 Stockholm, Sweden. RI Luo, Yi/B-1449-2009; Brena, Barbara/C-5909-2014 OI Luo, Yi/0000-0003-0007-0394; NR 42 TC 11 Z9 11 U1 1 U2 12 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 28 PY 2005 VL 109 IS 16 BP 7907 EP 7914 DI 10.1021/jp045685u PG 8 WC Chemistry, Physical SC Chemistry GA 919FM UT WOS:000228603700046 PM 16851922 ER PT J AU Saltmarsh, MJ AF Saltmarsh, MJ TI Technology - Warm fusion SO NATURE LA English DT Editorial Material C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM msaltmarsh@aol.com NR 4 TC 1 Z9 2 U1 0 U2 1 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 28 PY 2005 VL 434 IS 7037 BP 1077 EP + DI 10.1038/4341077a PG 3 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 920MD UT WOS:000228693300024 PM 15858556 ER PT J AU Gaensler, BM Kouveliotou, C Gelfand, JD Taylor, GB Eichler, D Wijers, RAMJ Granot, J Ramirez-Ruiz, E Lyubarsky, YE Hunstead, RW Campbell-Wilson, D van der Horst, AJ McLaughlin, MA Fender, RP Garrett, MA Newton-McGee, KJ Palmer, DM Gehrels, N Woods, PM AF Gaensler, BM Kouveliotou, C Gelfand, JD Taylor, GB Eichler, D Wijers, RAMJ Granot, J Ramirez-Ruiz, E Lyubarsky, YE Hunstead, RW Campbell-Wilson, D van der Horst, AJ McLaughlin, MA Fender, RP Garrett, MA Newton-McGee, KJ Palmer, DM Gehrels, N Woods, PM TI An expanding radio nebula produced by a giant flare from the magnetar SGR 1806-20 SO NATURE LA English DT Article ID RAY REPEATER SGR1900+14; SOFT GAMMA-REPEATERS; RADIATIVE MECHANISM; SGR 1806-20; PULSAR; SGR-1900+14; AFTERGLOWS AB Soft gamma-ray repeaters (SGRs) are 'magnetars', a small class of slowly spinning neutron stars with extreme surface magnetic fields, B approximate to 10(15) gauss (refs 1-3). On 27 December 2004, a giant flare(4) was detected from the magnetar SGR 1806-20 (ref. 2), only the third such event recorded(5,6). This burst of energy was detected by a variety of instruments(7,8) and even caused an ionospheric disturbance in the Earth's upper atmosphere that was recorded around the globe(9). Here we report the detection of a fading radio afterglow produced by this outburst, with a luminosity 500 times larger than the only other detection of a similar source(10). From day 6 to day 19 after the flare from SGR 1806-20, a resolved, linearly polarized, radio nebula was seen, expanding at approximately a quarter of the speed of light. To create this nebula, at least 4 x 10(43) ergs of energy must have been emitted by the giant flare in the form of magnetic fields and relativistic particles. C1 Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. NASA, George C Marshall Space Flight Ctr, Huntsville, AL 35805 USA. Univ Space Res Assoc, NSSTC, Huntsville, AL 35805 USA. Stanford Univ, Kavli Inst Particle Astrophys & Cosmol, Stanford, CA 94309 USA. Natl Radio Astron Observ, Socorro, NM 87801 USA. Ben Gurion Univ Negev, Dept Phys, IL-84105 Beer Sheva, Israel. Univ Amsterdam, Astron Inst Anton Pannekoek, NL-1098 SJ Amsterdam, Netherlands. Inst Adv Study, Princeton, NJ 08540 USA. Univ Sydney, Sch Phys, Sydney, NSW 2006, Australia. Univ Manchester, Jodrell Bank Observ, Macclesfield SK11 9DL, Cheshire, England. Univ Southampton, Sch Phys & Astron, Southampton SO17 1BJ, Hants, England. Joint Inst VLBI Europe, NL-7990 AA Dwingeloo, Netherlands. CSIRO, Australia Telescope Natl Facil, Epping, NSW 1710, Australia. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. RP Gaensler, BM (reprint author), Harvard Smithsonian Ctr Astrophys, 60 Garden St, Cambridge, MA 02138 USA. EM bgaensler@cfa.harvard.edu RI Gaensler, Bryan/F-8655-2010; Gehrels, Neil/D-2971-2012; LYUBARSKY, YURY/F-2362-2012; OI Wijers, Ralph/0000-0002-3101-1808; Gaensler, Bryan/0000-0002-3382-9558 NR 27 TC 105 Z9 105 U1 0 U2 4 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 28 PY 2005 VL 434 IS 7037 BP 1104 EP 1106 DI 10.1038/nature03498 PG 3 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 920MD UT WOS:000228693300035 PM 15858566 ER PT J AU Palmer, DM Barthelmy, S Gehrels, N Kippen, RM Cayton, T Kouveliotou, C Eichler, D Wijers, RAMJ Woods, PM Granot, J Lyubarsky, YE Ramirez-Ruiz, E Barbier, L Chester, M Cummings, J Fenimore, EE Finger, MH Gaensler, BM Hullinger, D Krimm, H Markwardt, CB Nousek, JA Parsons, A Patel, S Sakamoto, T Sato, G Suzuki, M Tueller, J AF Palmer, DM Barthelmy, S Gehrels, N Kippen, RM Cayton, T Kouveliotou, C Eichler, D Wijers, RAMJ Woods, PM Granot, J Lyubarsky, YE Ramirez-Ruiz, E Barbier, L Chester, M Cummings, J Fenimore, EE Finger, MH Gaensler, BM Hullinger, D Krimm, H Markwardt, CB Nousek, JA Parsons, A Patel, S Sakamoto, T Sato, G Suzuki, M Tueller, J TI A giant gamma-ray flare from the magnetar SGR 1806-20 SO NATURE LA English DT Article ID REPEATER SGR 1900+14; 1998 AUGUST 27; RADIATIVE MECHANISM; BURST; OUTBURSTS; MISSION AB Two classes of rotating neutron stars-soft gamma-ray repeaters (SGRs) and anomalous X-ray pulsars-are magnetars(1), whose X-ray emission is powered by a very strong magnetic field (B approximate to 10(15) G). SGRs occasionally become 'active', producing many short X-ray bursts. Extremely rarely, an SGR emits a giant flare with a total energy about a thousand times higher than in a typical burst(2-4). Here we report that SGR 1806-20 emitted a giant flare on 27 December 2004. The total (isotropic) flare energy is 2 x 10(46) erg, which is about a hundred times higher than the other two previously observed giant flares. The energy release probably occurred during a catastrophic reconfiguration of the neutron star's magnetic field. If the event had occurred at a larger distance, but within 40 megaparsecs, it would have resembled a short, hard gamma-ray burst, suggesting that flares from extragalactic SGRs may form a subclass of such bursts. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. NASA, Goddard Space Flight Ctr, Univ Space Res Assoc, Greenbelt, MD 20771 USA. NASA, George C Marshall Space Flight Ctr, Huntsville, AL 35805 USA. Univ Space Res Assoc, NSSTC, Huntsville, AL 35805 USA. Ben Gurion Univ Negev, Dept Phys, IL-84105 Beer Sheva, Israel. Univ Amsterdam, Astron Inst Anton Pannekoek, NL-1098 SJ Amsterdam, Netherlands. Stanford Univ, Kavli Inst Particle Astrophys & Cosmol, Stanford, CA 94309 USA. Inst Adv Study, Princeton, NJ 08540 USA. Penn State Univ, University Pk, PA 16802 USA. CNR, Washington, DC 20001 USA. Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. Univ Maryland, College Pk, MD 20742 USA. Inst Space & Astronaut Sci, JAXA, Kanagawa 2298510, Japan. Saitama Univ, Sakura Ku, Saitama 3388570, Japan. RP Palmer, DM (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM palmer@lanl.gov RI Gaensler, Bryan/F-8655-2010; Barthelmy, Scott/D-2943-2012; Gehrels, Neil/D-2971-2012; Tueller, Jack/D-5334-2012; LYUBARSKY, YURY/F-2362-2012; Parsons, Ann/I-6604-2012; OI Wijers, Ralph/0000-0002-3101-1808 NR 22 TC 289 Z9 292 U1 0 U2 9 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 28 PY 2005 VL 434 IS 7037 BP 1107 EP 1109 DI 10.1038/nature03525 PG 3 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 920MD UT WOS:000228693300036 PM 15858567 ER PT J AU Zheng, SJ Thompson, JD Tontcheva, A Khan, SI Rubin, Y AF Zheng, SJ Thompson, JD Tontcheva, A Khan, SI Rubin, Y TI Perchloro-2,5,8-triazaphenalenyl radical SO ORGANIC LETTERS LA English DT Article ID ETHYLENES; CHEMISTRY; CRYSTAL; DIMER AB The unusually stable perchloro-2,5,8-triazaphenalenyl radical 1 and its twisted dechlorinated dimer 2 were synthesized and characterized by ESR spectroscopy and X-ray crystallography. The X-ray structure of dimer 2 shows that the double bond connecting the two triazaphenalene systems is strongly twisted. Dimer 2 has a dramatic color shift from the solid state to solution, which may be due to a change of the twisting angle between both states. C1 Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA. Los Alamos Natl Lab, Condensed Matter & Thermal Phys, Los Alamos, NM 87545 USA. RP Zheng, SJ (reprint author), Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA. EM rubin@chem.ucla.edu FU NCRR NIH HHS [S10RR15952] NR 15 TC 29 Z9 29 U1 1 U2 7 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1523-7060 J9 ORG LETT JI Org. Lett. PD APR 28 PY 2005 VL 7 IS 9 BP 1861 EP 1863 DI 10.1021/ol050570+ PG 3 WC Chemistry, Organic SC Chemistry GA 920FT UT WOS:000228675500048 PM 15844925 ER PT J AU Nieto, MM Turyshev, SG Anderson, JD AF Nieto, MM Turyshev, SG Anderson, JD TI Directly measured limit on the interplanetary matter density from Pioneer 10 and 11 SO PHYSICS LETTERS B LA English DT Article DE pioneer anomaly; interplanetary medium; drag force ID SOLAR-SYSTEM; DARK-MATTER; KUIPER-BELT; DUST; ACCELERATION; NEPTUNE; ULYSSES; GALILEO; SEARCH; COMETS AB The Pioneer 10 and 11 spacecraft had exceptional deep-space navigational capabilities. The accuracies of their orbit reconstruction were limited, however, by a small, anomalous, Doppler frequency drift that can be interpreted as an acceleration of (8.74 +/- 1.33) x 10(-8) cm/s(2) directed toward the Sun. We investigate the possibility that this anomaly could be due to a drag on the spacecraft from their passing through the interplanetary medium. Although this mechanism is an appealing one, the existing Pioneer radiometric data would require an unexpectedly high mass density of interplanetary dust for this mechanism to work. Further, the magnitude of the density would have to be nearly constant at distances similar to 20-70 AU. Therefore, it appears that such an explanation is very unlikely, if not ruled out. Despite this, the measured frequency drift by itself places a directly-measured, model-independent limit of <= 3 x 10(-19) g/cm(3) on the mass density of interplanetary dust in the outer (similar to 20-70 AU) solar system. Lower experimental limits can be placed if one presumes a model that varies with distance. An example is the limit <= 6 x 10(-20) g/cm(3) obtained for the model with an axially-symmetric density distribution that falls off as the inverse of the distance. We emphasize that the limits obtained are experimentally-measured, in situ limits. A mission to investigate the anomaly would be able to place a better limit on the density, or perhaps even to measure it. (c) 2005 Elsevier B.V. All rights reserved. C1 Los Alamos Natl Lab, Div Theoret, Los Alamos Natl Lab, Los Alamos, NM 87545 USA. CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. RP Nieto, MM (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos Natl Lab, MS-B285, Los Alamos, NM 87545 USA. EM mmn@lanl.gov; turyshev@jpl.nasa.gov; john.d.anderson@jpl.nasa.gov NR 41 TC 30 Z9 30 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 28 PY 2005 VL 613 IS 1-2 BP 11 EP 19 DI 10.1016/j.physletb.2005.03.035 PG 9 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 921OK UT WOS:000228773900003 ER PT J AU Zheng, F Tran, DN Busche, BJ Fryxell, GE Addleman, RS Zemanian, TS Aardahl, CL AF Zheng, F Tran, DN Busche, BJ Fryxell, GE Addleman, RS Zemanian, TS Aardahl, CL TI Ethylenediamine-modified SBA-15 as regenerable CO2 sorbent SO INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH LA English DT Article ID REVERSIBLE POLYMERIC SORBENTS; MESOPOROUS MOLECULAR-SIEVE; CARBON-DIOXIDE; SOLID AMINE; SILICA-GEL; ACID GASES; ADSORPTION; CATALYSIS; REMOVAL; CAPTURE AB The CO2 adsorption properties of an ethylenediamine-modified mesoporous silica, EDA-SBA-15, have been examined. Adsorption isotherms were collected by TGA measurements, and the breakthrough time and adsorption capacity were measured using a fixed-bed flow system. The EDA-SBA-15 sorbent adsorbs around 20 Mg/g of CO2 from 15% CO2 in N-2 at 25 degrees C and 1 atm total pressure. In pure CO2 at 1 atm, its adsorption capacity is 86 mg/g at 22 degrees C. The EDA-SBA-15 sorbent is fully regenerable by thermal swings during cyclic adsorption/desorption. Desorption of CO2 occurs at 110 degrees C on EDA-SBA-15 and the sorbent is stable in air up to 200 degrees C. The CO2 uptake by EDA-SBA-15 is not influenced by humidity. The adsorption capacity data are compared with those of previously reported amine-modified silica sorbents. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Zheng, F (reprint author), Pacific NW Natl Lab, POB 999,MSIN,K6-28, Richland, WA 99352 USA. RI Zheng, Feng/C-7678-2009 OI Zheng, Feng/0000-0002-5427-1303 NR 22 TC 169 Z9 176 U1 9 U2 72 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 27 PY 2005 VL 44 IS 9 BP 3099 EP 3105 DI 10.1021/ie049488t PG 7 WC Engineering, Chemical SC Engineering GA 919FW UT WOS:000228604800027 ER PT J AU Feng, J Forest, E MacDowell, AA Marcus, M Padmore, H Raoux, S Robin, D Scholl, A Schlueter, R Schmid, P Stohr, J Wan, W Wei, DH Wu, Y AF Feng, J Forest, E MacDowell, AA Marcus, M Padmore, H Raoux, S Robin, D Scholl, A Schlueter, R Schmid, P Stohr, J Wan, W Wei, DH Wu, Y TI An x-ray photoemission electron microscope using an electron mirror aberration corrector for the study of complex materials SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Article; Proceedings Paper CT 4th International Conference on LEEM/PEEM CY MAY 10-13, 2004 CL Univ Twente, Enschede, NETHERLANDS HO Univ Twente ID CHROMATIC ABERRATION; SPHERICAL-ABERRATION; BEAM SEPARATOR; RESOLUTION; DESIGN; SMART; SPECTROMICROSCOPY; PERFORMANCE; RADIATION; EMISSION AB A new ultrahigh-resolution photoemission electron microscope called PEEM3 is being developed at the advanced light source (ALS). An electron mirror combined with a sophisticated magnetic beam separator is used to provide simultaneous correction of spherical and chromatic aberrations. Installed on an elliptically polarized undulator beamline, PEEM3 will be operated with very high spatial resolution and high flux to study the composition, structure, electric and magnetic properties of complex materials. C1 Univ Calif Berkeley, Adv Light Source, Berkeley, CA 94720 USA. High Energy Accelerator Res Org, Tsukuba, Ibaraki 3050810, Japan. IBM Corp, Almaden Res Ctr, San Jose, CA 95120 USA. Stanford Synchrotron Radiat Lab, Stanford, CA 94309 USA. NSRRC, Hsinchu 30077, Taiwan. Duke Univ, Dept Phys, Durham, NC 27708 USA. RP Feng, J (reprint author), Univ Calif Berkeley, Adv Light Source, Berkeley, CA 94720 USA. RI MacDowell, Alastair/K-4211-2012; Wei, Der-Hsin/H-8691-2013; Scholl, Andreas/K-4876-2012; Raoux, Simone/G-3920-2016 OI Wei, Der-Hsin/0000-0002-6877-602X; NR 51 TC 35 Z9 36 U1 2 U2 12 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 27 PY 2005 VL 17 IS 16 SI SI BP S1339 EP S1350 DI 10.1088/0953-8984/17/16/005 PG 12 WC Physics, Condensed Matter SC Physics GA 926CM UT WOS:000229100400006 ER PT J AU Williams, MC Strakey, JP Surdoval, WA AF Williams, MC Strakey, JP Surdoval, WA TI The US Department of Energy, Office of Fossil Energy stationary fuel cell program SO JOURNAL OF POWER SOURCES LA English DT Article DE fuel cell program; solid oxide fuel cells; SOFCs; fuel cell/turbine hybrid; distributed generation AB The U.S. Department of Energy (DOE) Office of Fossil Energy's (FE) National Energy Technology Laboratory (NETL), in partnership with private industries, is leading a pro-cram for the development and demonstration of high efficiency solid oxide fuel cells (SOFCs) and fuel cell/turbine hybrid power generation systems for near-term distributed generation markets, with emphasis on premium power and high reliability. NETL is partnering with Pacific Northwest National Laboratory (PNNL) in developing new directions for research under the Solid State Energy Conversion Alliance (SECA) initiative to develop and commercialize modular, low cost, and fuel flexible SOFC systems. Through advanced materials, processing and system integration research and development (R&D), the SECA initiative will reduce the fuel cell cost to $400 kW(-1) for stationary and auxiliary power unit markets. The SECA industry teams and core program have made significant progress in scale-up and performance. Presidential initiatives are focusing research toward a new hydrogen economy. The movement to a hydrogen economy would accomplish several strategic goals, namely that SOFCs have no emissions, and hence figure significantly in DOE strategies. The SOFC hybrid is a key part of the FutureGen plant, a major new DOE FE initiative to produce hydrogen from coal. The highly efficient SOFC hybrid plant will produce electric power while other parts of the plant could produce hydrogen and sequester CO2. The produced hydrogen can be used in fuel cell cars and for SOFC distributed generation applications. (c) 2005 Elsevier B.V. All rights reserved. C1 US DOE, Natl Energy Technol Lab, Morgantown, WV 26507 USA. RP Williams, MC (reprint author), US DOE, Natl Energy Technol Lab, POB 880,3610 Collins Ferry Rd, Morgantown, WV 26507 USA. EM mark.williains@netl.doe.gov NR 24 TC 97 Z9 98 U1 1 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 27 PY 2005 VL 143 IS 1-2 BP 191 EP 196 DI 10.1016/j.jpowsour.2004.12.003 PG 6 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 927BE UT WOS:000229166600023 ER PT J AU Lai, J Shafi, KVPM Ulman, A Loos, K Popovitz-Biro, R Lee, Y Vogt, T Estournes, C AF Lai, J Shafi, KVPM Ulman, A Loos, K Popovitz-Biro, R Lee, Y Vogt, T Estournes, C TI One-step synthesis of core(Cr)/shell(gamma-Fe2O3) nanoparticles SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID CORE-SHELL NANOPARTICLES; OXIDE NANOPARTICLES; IRON PARTICLES; CLUSTERS; SUPERLATTICES; COLLOIDS C1 Polytech Univ, Othmer Dept Chem & Biol Sci & Engn, Brooklyn, NY 11201 USA. Univ Groningen, Dept Math & Nat Sci, Polymer Chem & Mat Sci Ctr, NL-9747 AG Groningen, Netherlands. Weizmann Inst Sci, Dept Mat & Interfaces, IL-76100 Rehovot, Israel. Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. Inst Phys & Chim Mat Strasbourg, UMR 7504, F-67034 Strasbourg, France. RP Ulman, A (reprint author), Polytech Univ, Othmer Dept Chem & Biol Sci & Engn, 6 Metrotech Ctr, Brooklyn, NY 11201 USA. EM aulman@duke.poly.edu RI Loos, Katja/B-9792-2008; Vogt, Thomas /A-1562-2011; Lee, Yongjae/K-6566-2016; ESTOURNES, Claude/F-2322-2017 OI Loos, Katja/0000-0002-4613-1159; Vogt, Thomas /0000-0002-4731-2787; ESTOURNES, Claude/0000-0001-8381-8454 NR 22 TC 32 Z9 32 U1 0 U2 12 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 27 PY 2005 VL 127 IS 16 BP 5730 EP 5731 DI 10.1021/ja0443225 PG 2 WC Chemistry, Multidisciplinary SC Chemistry GA 919FB UT WOS:000228602600001 PM 15839638 ER PT J AU Radovic, LR Bockrath, B AF Radovic, LR Bockrath, B TI On the chemical nature of graphene edges: Origin of stability and potential for magnetism in carbon materials SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Review ID SINGLET-TRIPLET GAPS; POLYCYCLIC AROMATIC-HYDROCARBONS; GROUND-STATE TRIPLET; AB-INITIO; ELECTRONIC-PROPERTIES; NANOGRAPHITE RIBBONS; THERMOELECTRIC-POWER; SURFACE-PROPERTIES; ENERGY SEPARATION; MOLECULAR MAGNETS AB Heretofore disconnected experimental observations are combined with a theoretical study to develop a model of the chemical composition of the edges of graphene sheets in both flat and curved Sp(2)-hybridized carbon materials. It is proposed that under ambient conditions a significant fraction of the oxygen-free edge sites are neither H-terminated nor unadulterated a free radicals, as universally assumed. The zigzag sites are carbene-like, with the triplet ground state being most common. The armchair sites are carbyne-like, with the singlet ground state being most common. This proposal is not only consistent with the key electronic properties and surface (re)activity behavior of carbons, but it can also explain the recently documented and heretofore puzzling ferromagnetic properties of some impurity-free carbon materials. C1 Penn State Univ, University Pk, PA 16802 USA. US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Radovic, LR (reprint author), Penn State Univ, 205 Hosler Bldg, University Pk, PA 16802 USA. EM lrr3@psu.edu RI Radovic, Ljubisa/B-3306-2012 NR 104 TC 271 Z9 275 U1 22 U2 217 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 27 PY 2005 VL 127 IS 16 BP 5917 EP 5927 DI 10.1021/ja050124h PG 11 WC Chemistry, Multidisciplinary SC Chemistry GA 919FB UT WOS:000228602600054 PM 15839691 ER PT J AU Wood, TR Nicholl, MJ Glass, RJ AF Wood, TR Nicholl, MJ Glass, RJ TI Influence of fracture intersections under unsaturated, low-flow conditions SO WATER RESOURCES RESEARCH LA English DT Article ID LIQUID-PHASE STRUCTURE; VADOSE ZONE; DROP FORMATION; NATURAL FRACTURE; SATELLITE DROPS; MATRIX NETWORK; POROUS-MEDIA; DYNAMICS; ROCK; APERTURES AB Recent experimental evidence suggests that the capillary heterogeneity associated with fracture intersections can act to impose temporal and spatial structure on network-scale flows. A simple intersection between orthogonal fractures, one horizontal and the other vertical, has been shown to integrate unsaturated flows. At low flows the intersection forms a capillary barrier that accumulates water in a growing pool. Eventually, the retaining meniscus snaps, discharging a pulse of water. Here we develop a mechanistic explanation for this observed behavior and experimentally consider three perturbations to the geometry of the simple orthogonal intersection. Two of the perturbations also act as capillary barriers, while the third formed a capillary bridge across the intersection. At low flow, all of our experimental intersections imposed a temporal signal, with the nature of that signal dependent on intersection geometry and participation by the horizontal fractures in dynamic storage. At high flow a continuous fluid tendril spanned the system from inlet to outlet with water pooled above the intersection caused by a narrow fluid connection that restricted flow across the intersection. Results from all experiments suggest that pulsation is critically sensitive to small variations in the geometry of fracture intersections and storage in the horizontal fractures. When combined with dependency on supply rate, this sensitivity can generate pulsation of flow across a wide range of time periods and discharge volumes. C1 Idaho Natl Engn & Environm Lab, Idaho Falls, ID 83415 USA. Univ Nevada, Dept Geosci, Las Vegas, NV 89154 USA. Sandia Natl Labs, Flow Visualizat & Proc Lab, Albuquerque, NM 87185 USA. RP Wood, TR (reprint author), Idaho Natl Engn & Environm Lab, Idaho Falls, ID 83415 USA. EM tqw@inel.gov; michael.nicholl@ccmail.nevada.edu; rjglass@sandia.gov NR 41 TC 4 Z9 4 U1 0 U2 5 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 27 PY 2005 VL 41 IS 4 AR W04017 DI 10.1029/2004WR003281 PG 17 WC Environmental Sciences; Limnology; Water Resources SC Environmental Sciences & Ecology; Marine & Freshwater Biology; Water Resources GA 923HJ UT WOS:000228900600001 ER PT J AU Boyle, JS Williamson, D Cederwall, R Fiorino, M Hnilo, J Olson, J Phillips, T Potter, G Xie, S AF Boyle, JS Williamson, D Cederwall, R Fiorino, M Hnilo, J Olson, J Phillips, T Potter, G Xie, S TI Diagnosis of Community Atmospheric Model 2 (CAM2) in numerical weather forecast configuration at Atmospheric Radiation Measurement sites SO JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES LA English DT Article ID DATA ASSIMILATION; CLIMATE MODEL; VALIDATION; PRECIPITATION; SENSITIVITY AB The Community Atmospheric Model 2 (CAM2) is run as a short-term (1-5 days) forecast model initialized with reanalysis data. The intent is to reveal model deficiencies before complex interactions obscure the root error sources. Integrations are carried out for three Atmospheric Radiation Measurement (ARM) Program intensive operational periods (IOPs): June/July 1997, April 1997, and March 2000. The ARM data are used to validate the model in detail for the Southern Great Plains (SGP) site for all the periods and in the tropical west Pacific for the March 2000 period. The model errors establish themselves quickly, and within 3 days the model has evolved into a state distinctly different from the ARM observations. The summer forecasts evince a systematic error in convective rainfall. This error manifests itself in the temperature and moisture profiles after a single diurnal cycle. The same error characteristics are seen in the March 2000 tropical west Pacific forecasts. The model performs well in the spring cases at the SGP. Most of the error is manifested during rainy periods. The ARM cloud radar comparison to the model reveals cloud errors which are consistent with the relative humidity profile errors. The cloud errors are similar to those seen in climatological integrations, but the state variable errors are different. Thus there is the possibility that the some basic parameterization errors are obscured in the climatological integrations. The approach described here will facilitate parameterization experimentation, diagnoses, and validation. One way of reducing cloud feedback uncertainty is to make the physical processes behave in the most realistic manner possible. Paradoxically, perhaps the best way to reduce uncertainty in cloud feedback mechanisms is to evaluate the model processes with realistic forcing before such feedbacks have any significant affect. C1 Lawrence Livermore Natl Lab, PCMDI, Livermore, CA 94550 USA. Natl Ctr Atmospher Res, Boulder, CO 80305 USA. RP Boyle, JS (reprint author), Lawrence Livermore Natl Lab, PCMDI, L-103,7000 E Ave, Livermore, CA 94550 USA. EM boyle5@llnl.gov RI Xie, Shaocheng/D-2207-2013; Fiorino, Michael/N-4150-2014 OI Xie, Shaocheng/0000-0001-8931-5145; Fiorino, Michael/0000-0002-2819-8157 NR 30 TC 34 Z9 34 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 26 PY 2005 VL 110 IS D15 AR D15S15 DI 10.1029/2004JD005042 PG 16 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 923GN UT WOS:000228898000002 ER PT J AU Williamson, DL Boyle, J Cederwall, R Fiorino, M Hnilo, J Olson, J Phillips, T Potter, G Xie, SC AF Williamson, DL Boyle, J Cederwall, R Fiorino, M Hnilo, J Olson, J Phillips, T Potter, G Xie, SC TI Moisture and temperature balances at the Atmospheric Radiation Measurement Southern Great Plains Site in forecasts with the Community Atmosphere Model (CAM2) SO JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES LA English DT Article ID CLIMATE MODEL; PARAMETERIZATIONS; SENSITIVITY; SIMULATIONS; CONVECTION; CCM3 AB We compare the balance of terms in moisture and temperature prediction equations during short forecasts by the Community Atmosphere Model (CAM2) with observed estimates at the Atmospheric Radiation Measurement (ARM) Southern Great Plains site for two intensive observing periods (IOPs). The goal is to provide insight into parameterization errors which ultimately should lead to model improvements. The atmospheric initial conditions are obtained from high-resolution numerical weather prediction (NWP) analyses. The land initial conditions are spun up to be consistent with those analyses. Three cases are considered: (1) June/July 1997 when the atmosphere is relatively moist and surface evaporation corresponds to 90% of the precipitation with advection accounting for the remainder; (2) rainy days in April 1997 when the atmosphere is less moist and horizontal advection accounts for much of the precipitation with a small contribution from surface evaporation and the balance being derived from the water already present in the column; and (3) nonrainy days of the April 1997 when the moist process parameterizations are inactive and the planetary boundary layer (PBL) parameterization is dominant. For the first case the Zhang-McFarlane deep convective parameterization drives the model to a wrong state. For the second the Hack shallow convective parameterization appears to be not acting deep enough. During both periods inconsistencies between CAM2 and ARM surface fluxes, land surface conditions and the net surface radiative fluxes indicate that the exchange parameterizations should be examined further. For the third case the PBL parameterization does not appear to create the correct vertical structure. In addition, the individual components of the dynamical tendency are very different between CAM2 and ARM, although the total dynamical tendency is similar in the two. Although these observations do not imply that those components are themselves wrong since they may be responding to other errors, each of these components should be examined further to determine the cause of their behaviors. C1 Natl Ctr Atmospher Res, Boulder, CO 80307 USA. Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Williamson, DL (reprint author), Natl Ctr Atmospher Res, POB 3000, Boulder, CO 80307 USA. EM wmson@ucar.edu RI Xie, Shaocheng/D-2207-2013; Fiorino, Michael/N-4150-2014 OI Xie, Shaocheng/0000-0001-8931-5145; Fiorino, Michael/0000-0002-2819-8157 NR 19 TC 23 Z9 23 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 26 PY 2005 VL 110 IS D15 AR D15S16 DI 10.1029/2004JD005109 PG 17 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 923GN UT WOS:000228898000004 ER PT J AU Baker, GA Campbell, ML Yates, MZ McCleskey, TM AF Baker, GA Campbell, ML Yates, MZ McCleskey, TM TI Carbon dioxide emulsion assisted loading of polymer microspheres toward sustained release materials SO LANGMUIR LA English DT Article ID SUPERCRITICAL CO2; MICROENCAPSULATION; IMPREGNATION; DRUG; PROGESTERONE; SPECTROSCOPY; SURFACTANTS; DELIVERY AB An organic solvent-free method for encapsulating progesterone at high loadings within micron-sized inert latex polymer beads is reported. This approach makes use of a polymeric surfactant to emulsify carbon dioxide into an aqueous latex suspension. In this way, preformed similar to 4 mu m polystyrene (PS) microparticles surface-grafted with poly(N-vinylpyrrolidone) (PVP) were plasticized and swollen followed by rapid partitioning of progesterone into the polymer matrix. The as-prepared polystyrene beads incorporated over 10% progesterone by weight while maintaining their initial size and morphological uniformity. Dissolution experiments were also carried out to obtain the release profile of progesterone entrapped within the PVP/PS particles. C1 Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. RP McCleskey, TM (reprint author), Los Alamos Natl Lab, Div Chem, POB 1663, Los Alamos, NM 87545 USA. EM tmark@lanl.gov RI McCleskey, Thomas/J-4772-2012; Baker, Gary/H-9444-2016; OI Baker, Gary/0000-0002-3052-7730; Mccleskey, Thomas/0000-0003-3750-3245 NR 24 TC 1 Z9 1 U1 0 U2 4 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD APR 26 PY 2005 VL 21 IS 9 BP 3730 EP 3732 DI 10.1021/la047146m PG 3 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 919AN UT WOS:000228590800002 PM 15835928 ER PT J AU Smarsly, B Gibaud, A Ruland, W Sturmayr, D Brinker, CJ AF Smarsly, B Gibaud, A Ruland, W Sturmayr, D Brinker, CJ TI Quantitative SAXS analysis of oriented 2D hexagonal cylindrical silica mesostructures in thin films obtained from nonionic surfactants SO LANGMUIR LA English DT Article ID X-RAY-SCATTERING; POROUS SILICA; NANOCOMPOSITE FILMS; STEADY-STATE; IN-SITU; MESOPHASES; SYSTEMS; SIZE; SIMULATION; MODEL AB Oriented mesostructured surfactant-silica nanocomposite thin films with a 2D hexagonal mesostructure of cylindrical micelles were prepared by evaporation-induced self-assembly using two different nonionic Brij surfactants and studied by small-angle X-ray scattering in symmetric reflection (SRSAXS) and grazing incidence (GISAXS) geometries. A novel SRSAXS evaluation approach was applied that allowed a good fitting of the SRSAXS data over almost the whole range of scattering vectors. Aside from the cylinder radius and the lattice parameter, the approach provided accurate values for the polydispersity of the micelles, lattice distortions, and preferred orientation. These analyses revealed a significant rise of the micelle radius and accordingly the lattice parameter upon an increase in the ratio surfactant/SiO2, attributable to a decrease in the solubilization of the poly(ethylene oxide) (PEO) chains by water, in agreement with Monte Carlo simulations. Furthermore, the SRSAXS analysis was successfully applied to the corresponding mesoporous films for the determination of pore sizes. C1 Max Planck Inst Colloids & Interfaces, D-14476 Potsdam, Germany. Univ New Mexico, Adv Mat Lab, Albuquerque, NM 87106 USA. Univ Maine, CNRS, UMR 6087, Lab Phys Etat Condense, F-72085 Le Mans, France. Univ Marburg, Fachbereich Chem, D-35032 Marburg, Germany. Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Smarsly, B (reprint author), Max Planck Inst Colloids & Interfaces, Am Muhlenberg 1, D-14476 Potsdam, Germany. EM smarsly@mpikg.mpg.de RI Smarsly, Bernd/G-8514-2011 NR 31 TC 33 Z9 33 U1 3 U2 33 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD APR 26 PY 2005 VL 21 IS 9 BP 3858 EP 3866 DI 10.1021/la046916r PG 9 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 919AN UT WOS:000228590800021 PM 15835947 ER PT J AU Houston, JE Doelling, CM Vanderlick, TK Hu, Y Scoles, G Wenzl, I Lee, TR AF Houston, JE Doelling, CM Vanderlick, TK Hu, Y Scoles, G Wenzl, I Lee, TR TI Comparative study of the adhesion, friction, and mechanical properties of CF3- and CH3-terminated alkanethiol monolayers SO LANGMUIR LA English DT Article ID SELF-ASSEMBLED MONOLAYERS; ATOMIC-FORCE MICROSCOPY; TUNNELING-MICROSCOPY; SURFACE; FILMS; GOLD; WETTABILITY; CONTACT; DIPOLES; SILICON AB We report the results of a direct comparison of the adhesion, friction, and mechanical properties between alkanethiol self-assembled monolayer films terminated by either CH3 or CF3 end groups using both interfacial force (IFM) and atomic force (AFM) microscopies. The purpose of this work is to gain insight into the detailed origins of the differing frictional behavior previously observed with AFM. The IFM results reveal an increased adhesive interaction for the CF3-terminated film due to the highly polar nature of the end groups. In agreement with earlier studies, the AFM results show two linear regions with differing frictional slopes for the CH3-terminated film but only a single slope for the CF3-terminated film. We contrast the differences between these techniques, similar to 100 times smaller tips for the AFM, and discuss the role of the mechanical properties, the increased adhesive interaction, and the amount of disorder present in the film in creating differences in frictional behavior between the two systems. We conclude that increased adhesion for the CF3-terminated film plays an important role in the observed differences in frictional behavior, while the differences between the two techniques can be traced to the different tip sizes and the consequent responses to the presence of disorder in the films. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. Princeton Univ, Dept Chem Engn, Princeton, NJ 08540 USA. Princeton Univ, Dept Chem, Princeton, NJ 08540 USA. Univ Houston, Dept Chem, Houston, TX 77204 USA. Scuola Int Super Studi Avanzati, Trieste, Italy. Elettra Synchrotron Lab, Trieste, Italy. RP Sandia Natl Labs, Albuquerque, NM 87185 USA. EM jehoust@sandia.gov RI Hu, Ying/F-3949-2010; OI Lee, T. Randall/0000-0001-9584-8861 NR 34 TC 63 Z9 65 U1 1 U2 15 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD APR 26 PY 2005 VL 21 IS 9 BP 3926 EP 3932 DI 10.1021/la046901t PG 7 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 919AN UT WOS:000228590800031 PM 15835957 ER PT J AU Lenhart, JL Fischer, DA Sambasivan, S Lin, EK Jones, RL Soles, CL Wu, WL Goldfarb, DL Angelopoulos, M AF Lenhart, JL Fischer, DA Sambasivan, S Lin, EK Jones, RL Soles, CL Wu, WL Goldfarb, DL Angelopoulos, M TI X-ray absorption spectroscopy to probe surface composition and surface deprotection in photoresist films SO LANGMUIR LA English DT Article ID CHEMICALLY AMPLIFIED RESISTS; LINE EDGE ROUGHNESS; POSITIVE-TONE; AIRBORNE CONTAMINATION; ACID-DIFFUSION; REACTION FRONT; COPOLYMERS; LITHOGRAPHY; SEGREGATION; ORIENTATION AB Near-edge X-ray absorption fine structure spectroscopy (NEXAFS) is utilized to provide insight into surface chemical effects in model photoresist films. First, NEXAFS was used to examine the resist/air interface including surface segregation of a photoacid generator (PAG) and the extent of surface deprotection in the film. The concentration of PAG at the resist-air interface was higher than the bulk concentration, which led to a faster deprotection rate at that interface. Second, a NEXAFS depth profiling technique was utilized to probe for compositional gradients in model resist line edge regions. In the model line edge region, the surface composition profile for the developed line edge was dependent on the post exposure bake time. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. Natl Inst Stand & Technol, Gaithersburg, MD 20899 USA. IBM Corp, Thomas J Watson Res Ctr, Yorktown Hts, NY 10598 USA. RP Lenhart, JL (reprint author), Sandia Natl Labs, POB 5800,MS 0888, Albuquerque, NM 87185 USA. EM jllenha@sandia.gov; eric.lin@nist.gov NR 43 TC 20 Z9 20 U1 0 U2 3 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD APR 26 PY 2005 VL 21 IS 9 BP 4007 EP 4015 DI 10.1021/la047160z PG 9 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 919AN UT WOS:000228590800042 PM 15835968 ER PT J AU Shimada, A Shima, A Nojima, K Seino, Y Setlow, RB AF Shimada, A Shima, A Nojima, K Seino, Y Setlow, RB TI Germ cell mutagenesis in medaka fish after exposures to high-energy cosmic ray nuclei: A human model SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE astronaut hazards; linear energy transfer; relative biological effect ID ORYZIAS-LATIPES; TEST SYSTEM; LOCUS TEST; RADIATION; MUTATIONS; INDUCTION; IRRADIATION; PARTICLES AB Astronauts beyond the Earth's orbit are exposed to high-energy cosmic-ray nuclei with high values of linear energy transfer (LET), resulting in much more biological damage than from x-rays or gamma-rays and may result in mutations and cancer induction. The relative biological effectiveness of these nuclei depends on the LET, rising to as high as approximate to 50 at LET values of approximate to 100-200 keV/mu m. An endpoint of concern is germ cell mutations passed on to offspring, arising from exposure to these nuclei. A vertebrate model for germ cell mutation is Medaka fish (Oryzias latipes). We exposed wild type males to doses of 1 GeV per nucleon Fe nuclei or to 290 MeV per nucleon C nuclei. They were mated to females with recessive mutations at five-color loci. The transparent embryos from >100 days of mating (representing exposed sperm, spermatids, or spermatogonia) were observed so as to detect dominant lethal mutations and total color mutations, even though the embryos might not hatch. The relative number of mutant embryos as a function of dose were compared with those induced by 1,rays. The relative biological effectiveness values for dominant lethal mutations and total color mutations for exposed sperm and spermatids were 1.3-2.1 for exposure to C nuclei and 1.5-3.0 for exposure to Fe nuclei. (The spermatogonial data were uncertain.) These low values, and the negligible number of viable mutations, compared with those for mutations in somatic cells and for neoplastic transformation, indicate that germ cell mutations arising from exposures to cosmic ray nuclei are not a significant hazard to astronauts. C1 Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. Univ Tokyo, Sch Sci, Dept Biol Sci, Tokyo 1130033, Japan. Univ Tokyo, Grad Sch Frontier Sci, Dept Integrated Biosci 102, Kashiwa, Chiba 2778562, Japan. Natl Inst Radiol Sci, Int Space Radiat Lab, Chiba 2638555, Japan. RP Setlow, RB (reprint author), Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. EM setlow@bnl.gov NR 19 TC 14 Z9 14 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 26 PY 2005 VL 102 IS 17 BP 6063 EP 6067 DI 10.1073/pnas.0500895102 PG 5 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 921BI UT WOS:000228738800032 PM 15829584 ER PT J AU Ahmad, I Kasisomayajula, V Holtz, M Berg, JM Kurtz, SR Tigges, CP Allerman, AA Baca, AG AF Ahmad, I Kasisomayajula, V Holtz, M Berg, JM Kurtz, SR Tigges, CP Allerman, AA Baca, AG TI Self-heating study of an AlGaN/GaN-based heterostructure field-effect transistor using ultraviolet micro-Raman scattering SO APPLIED PHYSICS LETTERS LA English DT Article ID TEMPERATURE DISTRIBUTION; THERMAL-CONDUCTIVITY; ELECTRON; SPECTROSCOPY; SIMULATION; GAN; TRANSPORT AB We report micro-Raman studies of self-heating in an AlGaN/GaN heterostructure field-effect transistor using below (visible 488.0 nm) and near (UV 363.8 nm) GaN band-gap excitation. The shallow penetration depth of the UV light allows us to measure temperature rise (AT) in the two-dimensional electron gas (2DEG) region of the device between drain and source. Visible light gives the average Delta T in the GaN layer, and that of the SiC substrate, at the same lateral position. C Combined, we depth profile the self-heating. Measured Delta T, in the 2DEG is consistently over twice the average GaN-layer value. Electrical and thermal transport properties are simulated. We identify a hot spot, located at the gate edge in the 2DEG, as the prevailing factor in the self-heating. (c) 2005 American Institute of Physics. C1 Texas Tech Univ, Dept Phys, Lubbock, TX 79409 USA. Texas Tech Univ, Dept Mech Engn, Lubbock, TX 79409 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Ahmad, I (reprint author), Texas Tech Univ, Dept Phys, Lubbock, TX 79409 USA. EM mark.holtz@ttu.edu NR 21 TC 42 Z9 43 U1 0 U2 16 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 25 PY 2005 VL 86 IS 17 AR 173503 DI 10.1063/1.1906305 PG 3 WC Physics, Applied SC Physics GA 927HR UT WOS:000229185500061 ER PT J AU Chang, CW Han, WQ Zettl, A AF Chang, CW Han, WQ Zettl, A TI Thermal conductivity of B-C-N and BN nanotubes SO APPLIED PHYSICS LETTERS LA English DT Article ID PYROLYTIC BORON-NITRIDE; CARBON NANOTUBES; BXCYNZ NANOTUBES; HEAT AB We have measured the temperature-dependent thermal conductivity kappa(T) of boron-carbon-nitride (B-C-N) and boron nitride (BN) nanotube mats between room temperature and 20 K. For both materials, kappa(T) increases with increasing temperature, with no sign of saturation. We employ an analysis method to estimate the intrinsic kappa(T) of BN nanotubes converted from B-C-N nanotubes, and find that at room temperature kappa(T) of a multiwalled BN nanotube can be comparable to that of a multiwalled carbon nanotube and may exceed it if made isotopically pure. At low temperature, the functional form of kappa(T) reflects dimensional confinement. (c) 2005 American Institute of Physics. C1 Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Lawrence Berkeley Lab, Mat Sci Div & Mol Foundry, Berkeley, CA 94720 USA. RP Chang, CW (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM azettl@socrates.berkeley.edu RI Chang, Chih-Wei/A-5974-2012; Han, WQ/E-2818-2013; Zettl, Alex/O-4925-2016 OI Zettl, Alex/0000-0001-6330-136X NR 19 TC 75 Z9 79 U1 4 U2 24 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 25 PY 2005 VL 86 IS 17 AR 173102 DI 10.1063/1.1914963 PG 3 WC Physics, Applied SC Physics GA 927HR UT WOS:000229185500047 ER PT J AU Jensen, K Mickelson, W Han, W Zettl, A AF Jensen, K Mickelson, W Han, W Zettl, A TI Current-controlled nanotube growth and zone refinement SO APPLIED PHYSICS LETTERS LA English DT Article ID SINGLE-WALLED NANOTUBES; LARGE-SCALE SYNTHESIS; CARBON NANOTUBES; TEMPERATURE; PARTICLES; TRANSPORT; METALS; FE; CO; NI AB We describe methods by which the growth of a single carbon nanotube (CNT) can be precisely controlled by an electrical current. In one method a CNT is grown to a predetermined geometry inside another nanotube, which serves as a reaction chamber. Another method allows a preexisting marginal-quality multiwall CNT to be zone refined into a higher-quality multiwall CNT by driving a catalytic bead down the length of the nanotube. In both methods, the speed of nanotube formation is adjustable, and the growth can be stopped and restarted at will. (c) 2005 American Institute of Physics. C1 Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM kjensen@alum.mit.edu; azettl@socrates.berkeley.edu RI Mickelson, Willi/D-8813-2013; Zettl, Alex/O-4925-2016 OI Mickelson, Willi/0000-0002-6398-6212; Zettl, Alex/0000-0001-6330-136X NR 15 TC 24 Z9 24 U1 0 U2 10 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 25 PY 2005 VL 86 IS 17 AR 173107 DI 10.1063/1.1920427 PG 3 WC Physics, Applied SC Physics GA 927HR UT WOS:000229185500052 ER PT J AU Lee, JK Nastasi, M Hamby, DW Lucca, DA AF Lee, JK Nastasi, M Hamby, DW Lucca, DA TI Optical observation of donor-bound excitons in hydrogen-implanted ZnO SO APPLIED PHYSICS LETTERS LA English DT Article ID SHALLOW DONOR; ZINC-OXIDE; BULK ZNO; DEFECTS AB The optical and structural properties of H or He implanted ZnO were investigated using low temperature photoluminescence (PL) and infrared spectroscopy (IR). H implantation is shown to influence the relative luminescence intensities of the donor bound excitons, enhancing the 3.361 eV peak, and changing the overall intensity of the PL spectrum. PL from He implanted ZnO is used to demonstrate that implantation damage is partially responsible for the variations observed in the PL of H implanted ZnO. IR spectra show that the increase in the relative intensity of the 3.361 eV peak coincides with an appearance of the H vibrational mode in the ZnO lattice. Our results indicate that the implanted H forms O-H bonds at Zn vacancies, and that it is these defect complexes which give rise to the shallow donors participating in the observed bound-exciton luminescence at 3.361 eV. (c) 2005 American Institute of Physics. C1 Los Alamos Natl Lab, Mat Sci & Technol Div, Los Alamos, NM 87545 USA. Oklahoma State Univ, Sch Mech & Aerosp Engn, Stillwater, OK 74078 USA. RP Lee, JK (reprint author), Los Alamos Natl Lab, Mat Sci & Technol Div, POB 1663, Los Alamos, NM 87545 USA. EM jklee@lanl.gov NR 20 TC 26 Z9 27 U1 1 U2 6 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 25 PY 2005 VL 86 IS 17 AR 171102 DI 10.1063/1.1906330 PG 3 WC Physics, Applied SC Physics GA 927HR UT WOS:000229185500002 ER PT J AU Mahadevan, P Osorio-Guillen, JM Zunger, A AF Mahadevan, P Osorio-Guillen, JM Zunger, A TI Origin of transition metal clustering tendencies in GaAs based dilute magnetic semiconductors SO APPLIED PHYSICS LETTERS LA English DT Article ID TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; FORMALISM; SOLIDS AB While isovalent doping of GaAs (e.g., by In) leads to a repulsion between the solute atoms, two Cr, Mn, or Fe atoms in GaAs are found to have lower energy than the well-separated pair, and hence attract each other. The strong bonding interaction between levels with t(2) symmetry on the transition metal (TM) atoms results in these atoms exhibiting a strong tendency to cluster. Using first-principles calculations, we show that this attraction is maximal for Cr, Mn, and Fe while it is minimal for V. The difference is attributed to the symmetry of the highest occupied levels. While the intention is to find possible choices of spintronic materials that show a reduced tendency to cluster, one finds that the conditions that minimize clustering tendencies also minimize the stabilization of the magnetic state. (c) 2005 American Institute of Physics. C1 Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Natl Renewable Energy Lab, Golden, CO 80401 USA. EM alex_zunger@nrel.gov RI Osorio-Guillen, Jorge/B-7587-2008; Zunger, Alex/A-6733-2013 OI Osorio-Guillen, Jorge/0000-0002-7384-8999; NR 22 TC 34 Z9 34 U1 1 U2 6 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 25 PY 2005 VL 86 IS 17 AR 172504 DI 10.1063/1.1921359 PG 3 WC Physics, Applied SC Physics GA 927HR UT WOS:000229185500039 ER PT J AU Negres, RA Kucheyev, SO DeMange, P Bostedt, C van Buuren, T Nelson, AJ Demos, SG AF Negres, RA Kucheyev, SO DeMange, P Bostedt, C van Buuren, T Nelson, AJ Demos, SG TI Decomposition of KH2PO4 crystals during laser-induced breakdown SO APPLIED PHYSICS LETTERS LA English DT Article ID POTASSIUM DIHYDROGEN PHOSPHATE; RAMAN-SPECTROSCOPY; FUSED-SILICA; DAMAGE; BULK; IRRADIATION; SCATTERING; GROWTH AB The structure of KH2PO4 single crystals (so-called KDP) irradiated with similar to 3 ns, 355 nm laser pulses with fluences above the laser-induced breakdown threshold is studied by a combination of Raman scattering, photoluminescence, and soft x-ray absorption spectroscopies. We compare spectra from the as-grown material, surface and bulk laser-induced damage sites, as well as from KPO3 references. Results show that irradiation with fluences above the laser-induced breakdown threshold leads to decomposition of KDP at surface damage sites but not at bulk damage sites. New spectroscopic features are attributed to dehydration products. For the laser irradiation conditions used in this study, the decomposed near-surface layer absorbs photons at similar to 3.4 eV (364 nm). These results may explain the recently reported fact that surface laser damage sites in KDP crystals tend to grow with subsequent exposure to high-power laser pulses, while bulk damage sites do not. (c) 2005 American Institute of Physics. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Negres, RA (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94551 USA. EM negres2@llnl.gov NR 25 TC 24 Z9 27 U1 3 U2 29 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 25 PY 2005 VL 86 IS 17 AR 171107 DI 10.1063/1.1921349 PG 3 WC Physics, Applied SC Physics GA 927HR UT WOS:000229185500007 ER PT J AU Park, JY Phaneuf, RJ Ogletree, DF Salmeron, M AF Park, JY Phaneuf, RJ Ogletree, DF Salmeron, M TI Direct measurement of forces during scanning tunneling microscopy imaging of silicon pn junctions SO APPLIED PHYSICS LETTERS LA English DT Article ID DEPLETION ZONE AB We investigated the forces acting between tip and surface during scanning tunneling microscopy (STM) imaging of a silicon pn junction. Using a conductive and stiff atomic force microscopy (AFM) cantilever, the current between the tip and sample, and the normal force (or lever bending) were measured independently. This method allows us to use either AFM or STM, depending on the feedback signal. By comparing topographic images of the pn junction acquired in contact AFM mode with the STM images, large variations of STM topography and normal force across the junction could be observed. We find that at reverse bias the tip presses against the surface to draw the set-point current, while it is in noncontact tunneling regime at the forward bias. The current measured as a function of tip-sample distance shows a strong dependence on polarity of the bias in the p, n, and inverted regions, consistent with the force measurements during constant current STM mode. (c) 2005 American Institute of Physics. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. Univ Maryland, Dept Mat Sci & Engn, College Pk, MD 20740 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Park, JY (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM salmeron@stm.lbl.gov RI Park, Jeong Young/A-2999-2008; Ogletree, D Frank/D-9833-2016 OI Ogletree, D Frank/0000-0002-8159-0182 NR 18 TC 19 Z9 19 U1 1 U2 7 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 25 PY 2005 VL 86 IS 17 AR 172105 DI 10.1063/1.1906297 PG 3 WC Physics, Applied SC Physics GA 927HR UT WOS:000229185500032 ER PT J AU Subashiev, AV Gerchikov, LG Mamaev, YA Yashin, YP Roberts, JS Luh, DA Maruyama, T Clendenin, JE AF Subashiev, AV Gerchikov, LG Mamaev, YA Yashin, YP Roberts, JS Luh, DA Maruyama, T Clendenin, JE TI Strain-compensated AllnGaAs-GaAsP superlattices for highly polarized electron emission SO APPLIED PHYSICS LETTERS LA English DT Article ID SPECTRA AB Spin-polarized electron emission from superlattice photocathodes developed with strain compensation is investigated. An opposite strain in the quantum well and barrier layers is accomplished using an In AlGaAs/GaAsP superlattice structure. The measured values of maximum polarization and quantum yield for the structure with a 0.18 mu m thick working layer are excellent results for a strained superlattice photocathode structure, demonstrating the high potential of strain compensation for future photocathode applications. An analysis of the photoernission spectra is used to estimate the parameters responsible for the polarization losses. (c) 2005 American Institute of Physics. C1 State Polytech Univ, Expt Phys Dept, St Petersburg 195251, Russia. Univ Sheffield, Dept Elect Engn, Sheffield S1 3JD, S Yorkshire, England. Stanford Linear Accelerator Ctr, Menlo Pk, CA 94025 USA. RP Subashiev, AV (reprint author), State Polytech Univ, Expt Phys Dept, Politekhnicheskaya 29, St Petersburg 195251, Russia. EM clen@slac.stanford.edu RI LUH, DAH-AN/B-3921-2008 NR 10 TC 13 Z9 13 U1 0 U2 1 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 25 PY 2005 VL 86 IS 17 AR 171911 DI 10.1063/1.1920416 PG 3 WC Physics, Applied SC Physics GA 927HR UT WOS:000229185500023 ER PT J AU Yang, H Li, Y Norton, DP Pearton, SJ Jung, S Ren, F Boatner, LA AF Yang, H Li, Y Norton, DP Pearton, SJ Jung, S Ren, F Boatner, LA TI Characteristics of unannealed ZnMgO/ZnO p-n junctions on bulk (100) ZnO substrates SO APPLIED PHYSICS LETTERS LA English DT Article ID LIGHT-EMITTING-DIODES; THIN-FILMS; NITROGEN ACCEPTORS; LASER DEPOSITION; FABRICATION; EPITAXY; DEVICES; CONTACTS; GROWTH AB Zn0.9Mg0.1O/ZnO p-n junctions were grown by pulsed laser deposition at <= 500 degrees C on bulk n-type, (100), nonpolar, a-plane ZnO substrates. No postgrowth annealing was performed, with the P-doped ZnMgO showing p-type conductivity (hole density similar to 10(16) cm(-3), mobility similar to 6 cm(2) V-1 s(-1)) in the as-grown state. Front-to-back p-n junctions were fabricated with Ni/Au used as the p-Ohmic contact and Ti/Au as the backside n-Ohmic contact. The p contacts showed improved characteristics after annealing up to 400 degrees C, but the n contacts were Ohmic as deposited. The junctions showed rectifying behavior up to 200 degrees C. The forward turn-on voltage was similar to 6.5 V at 25 degrees C. The simple, low-temperature growth and processing sequence show the promise of ZnO for applications in transparent electronics and UV light emitters. (c) 2005 American Institute of Physics. C1 Univ Florida, Dept Mat Sci & Engn, Gainesville, FL 32611 USA. Univ Florida, Dept Chem Engn, Gainesville, FL 32611 USA. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Yang, H (reprint author), Univ Florida, Dept Mat Sci & Engn, Gainesville, FL 32611 USA. EM spear@mse.ufl.edu RI Boatner, Lynn/I-6428-2013 OI Boatner, Lynn/0000-0002-0235-7594 NR 37 TC 39 Z9 39 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 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 25 PY 2005 VL 86 IS 17 AR 172103 DI 10.1063/1.1906284 PG 3 WC Physics, Applied SC Physics GA 927HR UT WOS:000229185500030 ER PT J AU Bromhal, GS Sams, WN Jikich, S Ertekin, T Smith, DH AF Bromhal, GS Sams, WN Jikich, S Ertekin, T Smith, DH TI Simulation of CO2 sequestration in coal beds: The effects of sorption isotherms SO CHEMICAL GEOLOGY LA English DT Article DE carbon sequestration; coal bed methane; sorption isotherms; reservoir simulation AB For over 30 years, horizontal wells have been drilled into coal seams to release trapped methane and improve mine safety. For more than two decades, significant quantities of gas sorbed in coal seams have been collected as a relatively environmentally friendly fossil fuel energy resource. Laboratory experiments have shown that coals preferentially sorb carbon dioxide. Thus, concomitant enhanced coal bed methane production and carbon dioxide sequestration in unminable coal seams is a promising technology being developed as a win-win process to reduce global warming and produce a valuable energy resource. However, because CO2 will not reach all portions of the seam, not all of the in situ methane will be produced and not all of the "theoretical", sequestration capacity will be utilized. For sequestration, the amount of carbon dioxide that could be stored in the coal seam was found to be between 50% and 70% of the thermodynamic limit. The fraction of methane produced was much higher, between 80% and 97%. Reservoir simulations were used to predict how the well pattern and operating conditions can be modified to maximize the amounts of CO2 stored and CH4 recovered. For this study, we used the PSU-COALCOMP compositional coal bed methane reservoir simulator and measured sorption isotherms to predict the maximum amount of carbon dioxide that could be sequestered in a coal seam and show how coal seam characteristics and injection practices will reduce the actual amount sequestered. Crown Copyright (c) 2005 Published by Elsevier B.V. All rights reserved. C1 US DOE, Morgantown Energy Technol Ctr, Morgantown, WV 26507 USA. Natl Energy Technol Lab EG&G, Morgantown, WV 26507 USA. Natl Energy Technol Lab, Morgantown, WV 26507 USA. Penn State Univ, University Pk, PA 16802 USA. RP Bromhal, GS (reprint author), US DOE, Morgantown Energy Technol Ctr, POB 880, Morgantown, WV 26507 USA. EM bromhal@netl.doe.gov NR 20 TC 24 Z9 25 U1 1 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0009-2541 J9 CHEM GEOL JI Chem. Geol. PD APR 25 PY 2005 VL 217 IS 3-4 BP 201 EP 211 DI 10.1016/j.chemgeo.2004.12.021 PG 11 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 928PQ UT WOS:000229284400003 ER PT J AU Carroll, SA Knauss, KG AF Carroll, SA Knauss, KG TI Dependence of labradorite dissolution kinetics on CO2(aq), Al-(aq), and temperature SO CHEMICAL GEOLOGY LA English DT Article DE CO2 sequestration; feldspar; kinetics ID SOLUTION SATURATION STATE; MOLAL THERMODYNAMIC PROPERTIES; ATOMIC-FORCE MICROSCOPY; PRECIPITATION KINETICS; FELDSPAR DISSOLUTION; CHEMICAL AFFINITY; KAOLINITE DISSOLUTION; SURFACE-CHEMISTRY; AQUEOUS-SOLUTIONS; PH-DEPENDENCE AB Labradorite (Ca0.6Na0.4Al1.6Si2.4O8) dissolution rates were measured using a mixed flow reactor from 30 to 130 degrees C as a function of dissolved CO2 (1.2 x 10(-5) and 0.6 M), and aluminum (10(-6) to 10(-3) M) at pH 3.2. Over these experimental conditions, labradorite dissolution can be described with a single rate expression that accounts for observed increases in dissolution rate with increasing temperature and decreases in dissolution rate with increasing dissolved aluminum: where the apparent dissolution rate constant, k = 10(-5.69) (mol Labradorite cm(-2) s(-1)) and the net activation energy, E-a = 10.06 (kcal mol(-1)). This temperature-dependent rate expression is partly based on the model proposed by Oelkers et al. (1994) [Oelkers, E.H., Schott, J., Devidal, J., 1994. The effect of aluminum, pH, and chemical affinity on the rates of aluminosilicate dissolution reactions. Geochim. Cosmochim. Acta, 58, 2011-2024.] in which the dependence of silicate dissolution rates on dissolved aluminum in acidic solutions is attributed to H+-Al3+ exchange at the mineral surface and formation of silica-rich surface complexes. For this exchange reaction, regression of the experimental data yield a stoichiometric coefficient n = 0.31 and an enthalpy of reaction Delta H=0.54 (kcal mol(-1)). The temperature dependence of the silica-rich surface complex formation constant, K-T, was estimated from the van't Hoff equation and yielded K-T = 4.49 to 5.61 from 30 to 130 degrees C. Elevated CO2(aq) concentrations enhance mineral dissolution indirectly by acidifying solution pH. At temperatures below 100 degrees C, labradorite dissolves incongruently with preferential dissolution of Na, Ca, and Al over Si. (c) 2005 Elsevier B.V. All rights reserved. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Carroll, SA (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM carroll6@llnl.gov RI knauss, kevin/K-2827-2012 NR 40 TC 98 Z9 100 U1 2 U2 25 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0009-2541 J9 CHEM GEOL JI Chem. Geol. PD APR 25 PY 2005 VL 217 IS 3-4 BP 213 EP 225 DI 10.1016/j.chemgeo.2004.12.008 PG 13 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 928PQ UT WOS:000229284400004 ER PT J AU Kaszuba, JP Janecky, DR Snow, MG AF Kaszuba, JP Janecky, DR Snow, MG TI Experimental evaluation of mixed fluid reactions between supercritical carbon dioxide and NaCl brine: Relevance to the integrity of a geologic carbon repository SO CHEMICAL GEOLOGY LA English DT Article DE carbon dioxide; geologic sequestration; multi-phase fluids; quartz veins; crustal fluids ID NATURAL-GAS RESERVOIRS; AQUIFER DISPOSAL; CLIMATE-CHANGE; SEDIMENTARY BASINS; GREENHOUSE GASES; SITE SELECTION; HEAT-FLOW; CO2; SEQUESTRATION; MEDIA AB The reactive behavior of a mixed fluid (supercritical CO2 and brine) under physical-chemical conditions relevant to geologic storage and sequestration in a carbon repository is largely unknown. Experiments were conducted in a flexible cell hydrothermal apparatus to evaluate fluid-rock (aquifer plus aquitard) reactions that may adversely impact the integrity of the repository. A 5.5 molal NaCl brine-rock system was held at 200 degrees C and 200 bars (20 MPa) for 32 days (772 h) to approach steady state, then injected with CO2 and allowed to react for an additional 45 days (1079 h). In a separate experiment at 200 degrees C and 200 bars, the system was allowed to react for 77 days (1845 h) without injection of CO2. Corroded magnesite and euhedral siderite crystallized in a paragenetic sequence after CO2 injection. Nucleation and growth of siderite on shale suggests the aquitard is a reactive component in the system. Changes in elemental abundances in the brine following addition of CO2 include pH decrease and depletion of sodium due to accelerated growth of analcime. A pH increase follows pressure and temperature decrease and loss of saturated CO2 from acidic brine. Silica concentrations and dissolution rates are enhanced and silica precipitation inhibited in the acidic brine. Geochemical reactions in a carbon repository extend beyond pH decrease and carbonate mineral precipitation. Rock-dominated reaction systems yield to acid-dominated and related reactions controlled by mixed fluid equilibria (i.e., a fluid-dominated system). Escape of CO2 or migration of brine from the repository into overlying aquifers may cause silica super-saturation and increased alkalinity due to mixed fluid phase equilibria. These geochemical changes could be monitored in aquifers as indicators of repository integrity. Return of silica super-saturated brine to a rock-dominated reaction system buffered to neutral pH conditions may enhance precipitation of quartz, chalcedony, or amorphous silica. In addition to the potential effects (beneficial or deleterious) that silica super-saturation and precipitation may hold for repository performance, an understanding of the effects of multi-phase equilibrium relationships between supercritical CO2 and dissolved silica in aquifer-brine systems also raises new questions for a variety of geologic systems. Multi-phase fluid equilibria may, for example, account for quartz cements in some sedimentary basin sandstones and quartz vein mineralization in some ore districts. (c) 2005 Elsevier B.V. All rights reserved. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Kaszuba, JP (reprint author), Los Alamos Natl Lab, Mail Stop J514, Los Alamos, NM 87545 USA. EM jkaszuba@lanl.gov RI 谭, 玉芳/I-8946-2014 NR 33 TC 155 Z9 155 U1 0 U2 33 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0009-2541 J9 CHEM GEOL JI Chem. Geol. PD APR 25 PY 2005 VL 217 IS 3-4 BP 277 EP 293 DI 10.1016/j.chemgeo.2004.12.014 PG 17 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 928PQ UT WOS:000229284400008 ER PT J AU Xu, TF Apps, JA Pruess, K AF Xu, TF Apps, JA Pruess, K TI Mineral sequestration of carbon dioxide in a sandstone-shale system SO CHEMICAL GEOLOGY LA English DT Article DE CO2 sequestration; numerical simulation; mineral trapping; bedded sandstone-shale ID MOLAL THERMODYNAMIC PROPERTIES; ALBERTA SEDIMENTARY BASIN; CO2 DISPOSAL; AQUIFER DISPOSAL; FLUID-FLOW; ARGILLACEOUS SEDIMENT; CHEMICAL-EQUILIBRIA; EASTERN AUSTRALIA; DENISON TROUGH; HEAT-CAPACITY AB A conceptual model of CO2 injection in bedded sandstone-shale sequences has been developed using hydrogeologic properties and mineral compositions commonly encountered in Gulf Coast sediments. Numerical simulations were performed with the reactive fluid flow and geochemical transport code TOUGHREACT to analyze mass transfer between sandstone and shale layers and CO2 immobilization through carbonate precipitation. Results indicate that most CO2 sequestration occurs in the sandstone. The major CO2 trapping minerals are dawsonite and ankerite. The CO2 mineral-trapping capacity after 100,000 years reaches about 90 kg/m(3) of the medium. The CO2 trapping capacity depends on primary mineral composition. Precipitation of siderite and ankerite requires Fe+2 supplied mainly by chlorite and some by hematite dissolution and reduction. Precipitation of dawsonite requires Na+ provided by oligoclase dissolution. The initial abundance of chlorite and oligoclase therefore affects the CO2 mineral-trapping capacity. The sequestration time required depends on the kinetic rate of mineral dissolution and precipitation. Dawsonite reaction kinetics is not well understood, and sensitivity regarding the precipitation rate was examined. The addition Of CO2 as secondary carbonates results in decreased porosity. The leaching of chemical constituents from the interior of the shale causes slightly increased porosity. The limited information currently available for the mineralogy of natural high-pressure CO2 gas reservoirs is also generally consistent with our simulation. The "numerical experiments" give a detailed understanding of the dynamic evolution of a sandstone-shale geochemical system. (c) 2005 Elsevier B.V. All rights reserved. C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. EM tianfu_xu@lbl.gov RI 谭, 玉芳/I-8946-2014 NR 95 TC 241 Z9 279 U1 10 U2 95 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0009-2541 EI 1878-5999 J9 CHEM GEOL JI Chem. Geol. PD APR 25 PY 2005 VL 217 IS 3-4 BP 295 EP 318 DI 10.1016/j.chemgeo.2004.12.015 PG 24 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 928PQ UT WOS:000229284400009 ER PT J AU Knauss, KG Johnson, JW Steefel, CI AF Knauss, KG Johnson, JW Steefel, CI TI Evaluation of the impact of CO2, co-contaminant gas, aqueous fluid and reservoir rock interactions on the geologic sequestration of CO2 SO CHEMICAL GEOLOGY LA English DT Article DE reactive transport modeling; geologic CO2 sequestration; rock-water interaction; frio fm ID DISSOLUTION KINETICS; SYDNEY-BASIN; AQUIFER DISPOSAL; SOFTWARE PACKAGE; DAWSONITE; PH; WATER; NORDSTRANDITE; ELECTROLYTES; 25-DEGREES-C AB Lowering the costs of front-end processes (e.g., separation) in the geologic sequestration of CO2 can dramatically lower the overall costs. One possible approach is to sequester less-pure CO2 waste streams that are less expensive or require less energy to separate from flue gas or a coal gasification process, etc. The objective of this research is to evaluate the impacts of CO2 itself, as well as an impure CO2 waste stream, on geologic sequestration using reaction progress models, reactive transport simulators and analogous reactive transport experiments run in a plug flow reactor. Specifically, we are investigating the potential for co-injecting the SOx, NOx, and H2S present in coal-fired waste streams along with the CO2. We present here the results of reactive transport simulations made to investigate the long-term impact of dissolved CO2, H2S and SO2 on carbon sequestration in the Frio Fm., TX. The results suggest that addition of relatively large amounts of H2S to a CO2 injection should not adversely impact injectivity or sequestration compared to the injection of CO2 alone. The co-injection of SO2, however, could produce significantly different results, if conditions are such that SO2 can oxidize to sulfate. In the long-term the simulations suggest that carbonate mineral formation can sequester a significant fraction of the injected carbon through the formation of calcite, magnesite and dawsonite. (c) 2005 Elsevier B.V. All rights reserved. C1 Lawrence Livermore Natl Lab, Div Earth Sci, Livermore, CA 94550 USA. RP Knauss, KG (reprint author), Lawrence Livermore Natl Lab, Div Earth Sci, Livermore, CA 94550 USA. EM knauss@llnl.gov RI Steefel, Carl/B-7758-2010; knauss, kevin/K-2827-2012 NR 43 TC 204 Z9 206 U1 2 U2 59 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0009-2541 J9 CHEM GEOL JI Chem. Geol. PD APR 25 PY 2005 VL 217 IS 3-4 BP 339 EP 350 DI 10.1016/j.chemgeo.2004.12.017 PG 12 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 928PQ UT WOS:000229284400011 ER PT J AU Sawhill, SJ Layman, KA Van Wyk, DR Engelhard, MH Wang, C Bussell, ME AF Sawhill, SJ Layman, KA Van Wyk, DR Engelhard, MH Wang, C Bussell, ME TI Thiophene hydrodesulfurization over nickel phosphide catalysts: effect of the precursor composition and support SO JOURNAL OF CATALYSIS LA English DT Article DE nickel phosphide; hydrotreatin; hydrodesulfurization; HDS; thiophene ID TRANSITION-METAL PHOSPHIDES; MAGNETIC-RESONANCE SPECTROSCOPY; MO-FREE CATALYSTS; HYDROTREATING CATALYSTS; TUNGSTEN PHOSPHIDE; ADSORPTION SITES; HYDROPROCESSING CATALYSTS; ABSORPTION SPECTROSCOPY; PHOSPHORUS PROMOTION; MOLYBDENUM AB Silica- and alumina-supported nickel phosphide (NixPy) catalysts have been prepared, characterized by bulk and surface sensitive techniques, and evaluated for the hydrodesulfurization (HDS) of thiophene. Series of 30 wt% NixPy/SiO2 and 20 wt% NixPy/Al2O3 catalysts were prepared from oxidic precursors with a range of P/Ni molar ratios by temperature-programmed reduction (TPR) in flowing H-2. Oxidic precursors with molar ratios of P/Ni = 0.8 and 2.0 yielded catalysts containing phase-pure Ni2P on the silica and alumina supports, respectively. At lower P/Ni ratios, significant Ni12P5 impurities were present in the NixPy/SiO2 and NixPy/Al2O3 catalysts as indicated by X-ray diffraction. The HDS activities of the NixPy/SiO2 and NixPy/Al2O3 catalysts depended strongly on the P/Ni molar ratio of the oxidic precursors with optimal activities obtained for catalysts containing phase-pure Ni2P and minimal excess P. After 48 h on stream, a Ni2P/SiO2 catalyst was 20 and 3.3 times more active than sulfided Ni/SiO2 and Ni-Mo/SiO2 catalysts, respectively. A Ni2P/Al2O3 catalyst was 2.7 times more active than a sulfided Ni/Al2O3 catalyst but only about half as active as a sulfided Ni-Mo/Al2O3 catalyst. (c) 2005 Elsevier Inc. All rights reserved. C1 Western Washington Univ, Dept Chem, Bellingham, WA 98225 USA. Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RP Bussell, ME (reprint author), Western Washington Univ, Dept Chem, MS-9150,516 High St, Bellingham, WA 98225 USA. EM mark.bussell@wwu.edu RI Engelhard, Mark/F-1317-2010; OI Engelhard, Mark/0000-0002-5543-0812 NR 42 TC 176 Z9 199 U1 13 U2 95 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 25 PY 2005 VL 231 IS 2 BP 300 EP 313 DI 10.1016/j.jcat.2005.01.020 PG 14 WC Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA 919HQ UT WOS:000228609400005 ER PT J AU Zhou, SH Wang, Y Jiang, C Zhu, JZ Chen, LQ Liu, ZK AF Zhou, SH Wang, Y Jiang, C Zhu, JZ Chen, LQ Liu, ZK TI First-principles calculations and thermodynamic modeling of the Ni-Mo system SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING LA English DT Article DE Mo-Ni; phase diagram; thermodynamic modeling; first-principles calculation ID PHASE-DIAGRAM; TERNARY-SYSTEM; APFIM TEM; ALLOYS; MOLYBDENUM; NICKEL; BINARY; STABILITY; COBALT; ENERGY AB The phase equilibria and thermodynamic properties of the Ni-Mo system were analyzed by combining a first-principles approach and calculation of phase diagram (CALPHAD) technique. The first-principles calculation results indicate that Ni2Mo and Ni8Mo are stable in addition to Ni3Mo and Ni4Mo, and delta-NiMo is not stable at 0 K, both in contradiction to the existing phase relationships in the Ni-Mo system. The enthalpies of the mixing of the bee and fee solid solution phases were also predicted by first-principles calculations using the special quasirandom structures. In the present work, the non-stoichiometric delta-NiMo and Ni3MO phases were modeled using three- and two-sublattice models, respectively. The Ni2Mo, Ni4Mo and Ni8Mo phases were treated as stoichiometric compounds. Based on the first-principles data from the present work and experimental data in the literature, the Gibbs energy functions of individual phases were evaluated, and a new Ni-Mo phase diagram was presented. (c) 2005 Elsevier B.V. All rights reserved. C1 Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA. RP Zhou, SH (reprint author), Ames Lab, Met & Ceram Sci Program, Dept Energy, 116 Wilhelm, Ames, IA 50011 USA. EM szhou@ameslab.gov RI Jiang, Chao/A-2546-2011; Wang, Yi/D-1032-2013; Chen, LongQing/I-7536-2012; Liu, Zi-Kui/A-8196-2009 OI Chen, LongQing/0000-0003-3359-3781; Liu, Zi-Kui/0000-0003-3346-3696 NR 38 TC 30 Z9 31 U1 1 U2 20 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 2005 VL 397 IS 1-2 BP 288 EP 296 DI 10.1016/j.msea.2005.02.037 PG 9 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 929WO UT WOS:000229377500035 ER PT J AU Zhu, XH Lee, SK Lee, HN Hesse, D AF Zhu, XH Lee, SK Lee, HN Hesse, D TI Microstructure of (110)-oriented epitaxial SrRuO3 thin films grown on off-cut single crystal YSZ(100) substrates SO MATERIALS SCIENCE AND ENGINEERING B-SOLID STATE MATERIALS FOR ADVANCED TECHNOLOGY LA English DT Article; Proceedings Paper CT Symposium on Functional Oxides for Advanced Semiconductor Technologies CY MAY 24-28, 2004 CL Strasbourg, FRANCE SP Univ Degli Studi Catania, Natl Inst Sci & Technol Mat DE microstructure; epitaxial growth; SrRuO3 thin films; azimuthal domains ID PULSED-LASER DEPOSITION; DOMAIN-STRUCTURE; 001 SRTIO3; ORIENTATION; SI(100) AB The microstructure of (1 1 0)(pc)-oriented epitaxial SrRuO3 (SRO) thin films grown by pulsed laser deposition on (100)YSZ (YSZ: yttria-stabilized zirconia) single crystal substrates with a miscut angle of 5 degrees has been investigated by X-ray diffraction (XRD) and transmission electron microscopy (TEM). The films grow epitaxially with their pseudocubic (1 10) plane parallel to the (100) surface of the YSZ single crystal substrate, and with an in-plane orientation relationship of [(1) over bar 1 1](SRO)//[0 1 1](YSZ). Cross-sectional TEM investigations show that the films have a rough, facetted surface. Generally, four different azimuthal domains are present in ((1) over bar 1 0)SRO films on (1 0 0)YSZ. Their number can be significantly reduced using annealed offcut YSZ substrates before SRO deposition, and this reduction effect is shown to be much stronger on [0 1 1]-miscut (100)YSZ than on [0 0 1]-miscut ones. Size and morphology of the azimuthal pseudocubic domains and their domain boundaries, as well as of anti-phase domains and their domain boundaries are studied by plan-view and cross-section TEM. (c) 2004 Elsevier B.V. All rights reserved. C1 Max Planck Inst Mikrostrukturphys, D-06120 Halle Saale, Germany. Oak Ridge Natl Lab, Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. RP Zhu, XH (reprint author), Max Planck Inst Mikrostrukturphys, Weinberg 2, D-06120 Halle Saale, Germany. EM xhzhu@mpi-halle.de RI Lee, Ho Nyung/K-2820-2012 OI Lee, Ho Nyung/0000-0002-2180-3975 NR 20 TC 2 Z9 2 U1 0 U2 10 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0921-5107 J9 MAT SCI ENG B-SOLID JI Mater. Sci. Eng. B-Solid State Mater. Adv. Technol. PD APR 25 PY 2005 VL 118 IS 1-3 BP 60 EP 65 DI 10.1016/j.mseb.2004.12.048 PG 6 WC Materials Science, Multidisciplinary; Physics, Condensed Matter SC Materials Science; Physics GA 918CB UT WOS:000228514800014 ER PT J AU Vecchi, PA Ellern, A Angelici, RJ AF Vecchi, PA Ellern, A Angelici, RJ TI Steric effects in the binding of hindered dibenzothiophene ligands in [Cp'Ru(CO)(2)(eta(1)(S)-DBTh)](+) complexes SO ORGANOMETALLICS LA English DT Article ID TRANSITION-METAL COMPLEXES; TERT-BUTYL HYDROPEROXIDE; FUEL-CELL APPLICATIONS; DEEP DESULFURIZATION; SELECTIVE ADSORPTION; DIESEL FUEL; JET FUEL; CATALYTIC HYDRODESULFURIZATION; OXIDATIVE DESULFURIZATION; TRANSPORTATION FUELS AB Structural studies of several complexes of the type [Cp'Ru(CO)(2)(eta(1)(S)-DBTh)](+), where Cp' Cp or Cp* and DBTh = DBT, 4-MeDBT, 4,6-Me2DBT, or 2,8-Me2DBT, show that only in [Cp*Ru(CO)(2)(eta(1)(S)-4,6-Me2DBT)](+) is there evidence for steric crowding between the Cp' and DBTh ligands. However, relative equilibrium constants (K) for the binding of the DBTh ligands in both the Cp and Cp* complexes show evidence of steric effects in those that contain 4-MeDBT and 4,6-Me2DBT as the K' values increase in the order 4,6-Me2DBT < 4-MeDBT < DBT < 2,8-Me2DBT. Kinetics studies of the substitution of the DBTh in [CpRu(CO)(2)(eta(1)(S)-DBTh)](+) by phosphorus donor ligands establish the following order of DBTh lability, 4,6-Me2DBT > 4-MeDBT > DBT > 2,8-Me2DBT, which is consistent with the trend in K' values. The most labile DBTh ligand in both series of complexes is 4,6-Me2DBT in [CP*Ru(CO)(2)(eta(1)(S)-4,6-Me2DBT)](+), where both steric crowding and electron donation by the Cp* ligand accelerate the rate of 4,6-Me2DBT dissociation. C1 Iowa State Univ, Ames Lab, Ames, IA 50011 USA. Iowa State Univ, Dept Chem, Ames, IA 50011 USA. RP Angelici, RJ (reprint author), Iowa State Univ, Ames Lab, Ames, IA 50011 USA. EM angelici@iastate.edu NR 57 TC 10 Z9 10 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0276-7333 J9 ORGANOMETALLICS JI Organometallics PD APR 25 PY 2005 VL 24 IS 9 BP 2168 EP 2176 DI 10.1021/om0489731 PG 9 WC Chemistry, Inorganic & Nuclear; Chemistry, Organic SC Chemistry GA 918GO UT WOS:000228530500022 ER PT J AU Grumet, NS Duffy, PB Wickett, ME Caldeira, K Dunbar, RB AF Grumet, NS Duffy, PB Wickett, ME Caldeira, K Dunbar, RB TI Intrabasin comparison of surface radiocarbon levels in the Indian Ocean between coral records and three-dimensional global ocean models SO GLOBAL BIOGEOCHEMICAL CYCLES LA English DT Article ID GENERAL-CIRCULATION MODEL; HORIZONTAL GRID RESOLUTION; TROPICAL ATLANTIC-OCEAN; CARBON-CYCLE MODELS; SEA ICE MODEL; BOMB RADIOCARBON; BANDED CORALS; NORTH-ATLANTIC; WORLD OCEAN; TEMPORAL VARIATIONS AB Oceanic uptake and transport of bomb-produced radiocarbon is used as a diagnostic in global ocean models to test parameterizations of mixing and air-sea gas exchange between the ocean and atmosphere. A model's ability to simulate bomb-produced C-14 is also a good indicator of its ability to predict uptake of anthropogenic CO2. We have conducted a model-data comparison of surface radiocarbon time series from coral records from the coasts of Kenya and Sumatra and a suite of dynamical three-dimensional ocean models that were included in the second phase of the Ocean Carbon-Cycle Model Intercomparison Project. The coral records comprise the first intrabasin record of surface water &UDelta;C-14 variability in the equatorial Indian Ocean and provide an independent evaluation of model performance. Differing treatments of lateral subgrid scale mixing in different models appear to be less important than other, unknown factors in explaining differences in results between the models. Those models that include a dynamic vertical mixing scheme appear to be more capable of matching observed coral radiocarbon time series. However, among models with the same parameterization of lateral subgrid scale mixing, there is a large degree of variation, suggesting that at both sites, factors such as resolution, topography, physical forcing and horizontal advection are more important than mixing parameterization in explaining intermodel differences. None of the models reproduce the time lag in the rate of bomb C-14 response between the Kenya and Sumatra coral sites. Future efforts are needed to improve model simulation of radiocarbon in surface waters in the equatorial Indian Ocean. C1 Stanford Univ, Dept Geog & Environm Sci, Stanford, CA 94305 USA. Lawrence Livermore Natl Lab, Energy & Environm Directorate, Livermore, CA 94551 USA. Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94551 USA. RP Grumet, NS (reprint author), Woods Hole Oceanog Inst, Cooperat Inst Climate & Ocean Res, Marine Chem & Geochem Dept, Clark Bldg 413,MS 25,266 Woods Hole Rd, Woods Hole, MA 02543 USA. EM ngrumet@whoi.edu RI Caldeira, Ken/E-7914-2011 NR 74 TC 4 Z9 4 U1 0 U2 4 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0886-6236 J9 GLOBAL BIOGEOCHEM CY JI Glob. Biogeochem. Cycle PD APR 23 PY 2005 VL 19 IS 2 AR GB2010 DI 10.1029/2004GB002289 PG 17 WC Environmental Sciences; Geosciences, Multidisciplinary; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Geology; Meteorology & Atmospheric Sciences GA 922QC UT WOS:000228851800003 ER PT J AU Rodrigues, JV Abreu, IA Saraiva, LM Teixeira, M AF Rodrigues, JV Abreu, IA Saraiva, LM Teixeira, M TI Rubredoxin acts as an electron donor for neelaredoxin in Archaeoglobus fulgidus SO BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS LA English DT Article DE superoxide detoxification; oxygen metabolism; rubredoxin; neelaredoxin; superoxide reductase ID NONHEME IRON PROTEIN; DESULFOVIBRIO-GIGAS; SUPEROXIDE REDUCTASE; ESCHERICHIA-COLI; OXYGEN DETOXIFICATION; PYROCOCCUS-FURIOSUS; UNIQUE COMBINATION; TREPONEMA-PALLIDUM; DESULFOFERRODOXIN; OXIDOREDUCTASE AB Archaeoglobus fulgidus neelaredoxin (Nlr) is an electron donor: superoxide oxidoreductase. The reaction of superoxide with reduced Nlr is almost diffusion-limited, but the overall efficiency for detoxifying superoxide in vivo depends on the rate of reduction of Nlr by electron donors. Here, we report the purification and characterization of the two type I rubredoxins from A. fulgidus (AF0880 and AF1349) and show that they act as efficient electron donors for neelaredoxin, in vitro, with a second-order rate constant of 10(7) M-1 s(-1) at 10 degrees C and PH 7.2. (c) 2005 Elsevier Inc. All rights reserved. C1 Univ Nova Lisboa, Inst Tecnol Quim & Biol, P-2781901 Oeiras, Portugal. Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Teixeira, M (reprint author), Univ Nova Lisboa, Inst Tecnol Quim & Biol, Av Republ EAN Apt 127, P-2781901 Oeiras, Portugal. EM miguel@itqb.unl.pt RI Rodrigues, Joao/B-4235-2008; Saraiva, Ligia/H-8537-2012; Teixeira, Miguel/A-9098-2011; Abreu, Isabel/I-5081-2013; Rodrigues, Joao/B-4877-2016 OI Rodrigues, Joao/0000-0002-5605-656X; Saraiva, Ligia/0000-0002-0675-129X; Teixeira, Miguel/0000-0003-4124-6237; Abreu, Isabel/0000-0002-5566-2146; Rodrigues, Joao/0000-0002-5605-656X NR 36 TC 25 Z9 26 U1 0 U2 6 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0006-291X J9 BIOCHEM BIOPH RES CO JI Biochem. Biophys. Res. Commun. PD APR 22 PY 2005 VL 329 IS 4 BP 1300 EP 1305 DI 10.1016/j.bbrc.2005.02.114 PG 6 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA 909UN UT WOS:000227886300019 PM 15766568 ER PT J AU Sondermann, H Kuriyan, J AF Sondermann, H Kuriyan, J TI C2 can do it, too SO CELL LA English DT Editorial Material ID BINDING DOMAINS; RECOGNITION; SH2 AB In this issue of Cell, Benes et al. (2005) report that the C2 domain of the serine/threonine protein kinase C delta is a phosphotyrosine binding domain and present the crystal structure of this C2 domain bound to a peptide containing phosphotyrosine. Prior to this; work, C2 domains were thought to bind only to phospholipids or to unphosphorylated proteins, and the SH2 and PTB domains were the only signaling domains known to recognize phosphotyrosine. This new role for the C2 domain links phosphotyrosine recognition directly to serine/threonine kinase activity and reveals an unexpected mechanism for crosstalk between distinct signaling pathways. C1 Univ Calif Berkeley, Howard Hughes Med Inst, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Sondermann, H (reprint author), Univ Calif Berkeley, Howard Hughes Med Inst, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. NR 10 TC 20 Z9 22 U1 0 U2 2 PU CELL PRESS PI CAMBRIDGE PA 1100 MASSACHUSETTS AVE, CAMBRIDGE, MA 02138 USA SN 0092-8674 J9 CELL JI Cell PD APR 22 PY 2005 VL 121 IS 2 BP 158 EP 160 DI 10.1016/j.cell.2005.04.001 PG 3 WC Biochemistry & Molecular Biology; Cell Biology SC Biochemistry & Molecular Biology; Cell Biology GA 920QK UT WOS:000228705000003 PM 15851022 ER PT J AU Gorden, AEV Shuh, DK Tiedemann, BEF Wilson, RE Xu, JD Raymond, KN AF Gorden, AEV Shuh, DK Tiedemann, BEF Wilson, RE Xu, JD Raymond, KN TI Sequestered plutonium: [Pu-IV{5LIO(Me-3,2-HOPO)}(2)] - The first structurally characterized plutonium hydroxypyridonate complex SO CHEMISTRY-A EUROPEAN JOURNAL LA English DT Article DE actinides; coordination chemistry; plutonium; structure elucidation ID CRYSTAL-STRUCTURE; CHEMISTRY; ACTINIDES; AGENTS; ION AB The first single-crystal X-ray diffraction analysis of a hydroxypyridonate plutonium(iv) complex is presented, that of the tetradentate ligand 5LIO(Me-3,2-HOPO) with Pu-IV. The [Pu-IV{5LIO(Me-3,2-HOPO)}(2)] Complex crystallizes in the space group Pna2(1) with the asymmetric unit cell containing two unique eight-coordinate plutonium complexes and one perchlorate anion. According to shape measure analysis, the geometry of both Pu centers is closest to a bicapped trigonal prism (C-2v symmetry, for Pu 1: S(C-2v) = 13.48 degrees, S(D-4d) = 15.43 degrees, S(D-4d) = 16.10 degrees). The average bond length for the Pu-O(phenolic) is 2.31(4) angstrom, whereas the Pu-O(amide) distances are slightly longer, averaging 2.40(2) angstrom. The preparative chemistry of this compound and the implications of the structure are discussed. C1 Univ Calif Berkeley, Glenn T Seaborg Ctr, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. Univ Calif Berkeley, Glenn T Seaborg Ctr, Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. RP Shuh, DK (reprint author), Univ Calif Berkeley, Glenn T Seaborg Ctr, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. EM dkshuh@lbl.gov; raymond@socrates.berkeley.edu RI Wilson, Richard/H-1763-2011; Gorden, Anne/D-2477-2011 OI Wilson, Richard/0000-0001-8618-5680; Gorden, Anne/0000-0001-6623-9880 NR 25 TC 34 Z9 34 U1 3 U2 8 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 0947-6539 J9 CHEM-EUR J JI Chem.-Eur. J. PD APR 22 PY 2005 VL 11 IS 9 BP 2842 EP 2848 DI 10.1002/chem.200401193 PG 7 WC Chemistry, Multidisciplinary SC Chemistry GA 921IG UT WOS:000228757000022 PM 15744705 ER PT J AU Liu, JY Lou, Y Yokota, H Adams, PD Kim, R Kim, SH AF Liu, JY Lou, Y Yokota, H Adams, PD Kim, R Kim, SH TI Crystal structure of a PhoU protein homologue - A new class of metalloprotein containing multinuclear iron clusters SO JOURNAL OF BIOLOGICAL CHEMISTRY LA English DT Article ID ESCHERICHIA-COLI; PHOSPHATE-TRANSPORT; HUMAN FERRITIN; L-CHAIN; MINERALIZATION; ALIGNMENT; SOFTWARE; SEQUENCE; REGULON; SYSTEMS AB PhoU proteins are known to play a role in the regulation of phosphate uptake. In Thermotoga maritima, two PhoU homologues have been identified bioinformatically. Here we report the crystal structure of one of the PhoU homologues at 2.0 angstrom resolution. The structure of the PhoU protein homologue contains a highly symmetric new structural fold composed of two repeats of a three-helix bundle. The structure unexpectedly revealed a trinuclear and a tetranuclear iron cluster that were found to be bound on the surface. Each of the two multinuclear iron clusters is coordinated by a conserved E(D) XXXD motif pair. Our structure reveals a new class of metalloprotein containing multinuclear iron clusters. The possible functional implication based on the structure are discussed. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley Struct Genom Ctr, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. RP Kim, SH (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley Struct Genom Ctr, Berkeley, CA 94720 USA. EM SHKim@cchem.berkeley.edu RI Adams, Paul/A-1977-2013 OI Adams, Paul/0000-0001-9333-8219 FU NIGMS NIH HHS [GM 62412] NR 27 TC 23 Z9 25 U1 0 U2 3 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 22 PY 2005 VL 280 IS 16 BP 15960 EP 15966 DI 10.1074/jbc.M414117200 PG 7 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 917GO UT WOS:000228444800062 PM 15716271 ER PT J AU Pan, D Estevez-Salmeron, LD Stroschein, SL Zhu, XL He, J Zhou, SL Luo, KX AF Pan, D Estevez-Salmeron, LD Stroschein, SL Zhu, XL He, J Zhou, SL Luo, KX TI The integral inner nuclear membrane protein MAN1 physically interacts with the R-Smad proteins to repress signaling by the transforming growth factor-beta superfamily of cytokines SO JOURNAL OF BIOLOGICAL CHEMISTRY LA English DT Article ID POLYMERASE-II TRANSCRIPTION; FYVE DOMAIN PROTEIN; MAMMALIAN-CELLS; SKI ONCOPROTEIN; CO-REPRESSOR; LEM DOMAIN; 7SK SNRNA; P-TEFB; RECEPTOR; SARA AB Smad proteins are critical intracellular mediators of the transforming growth factor-beta, bone morphogenic proteins (BMPs), and activin signaling. Upon ligand binding, the receptor-associated R-Smads are phosphorylated by the active type I receptor serine/threonine kinases. The phosphorylated R-Smads then form heteromeric complexes with Smad4, translocate into the nucleus, and interact with various transcription factors to regulate the expression of downstream genes. Interaction of Smad proteins with cellular partners in the cytoplasm and nucleus is a critical mechanism by which the activities and expression of the Smad proteins are modulated. Here we report a novel step of regulation of the R- Smad function at the inner nuclear membrane through a physical interaction between the integral inner nuclear membrane protein MAN1 and R-Smads. MAN1, through the RNA recognition motif, associates with R- Smads but not Smad4 at the inner nuclear membrane in a ligand-independent manner. Overexpression of MAN1 results in inhibition of R- Smad phosphorylation, heterodimerization with Smad4 and nuclear translocation, and repression of transcriptional activation of the TGF beta, BMP2, and activin-responsive promoters. This repression of TGF beta, BMP2, and activin signaling is dependent on the MAN1-Smad interaction because a point mutation that disrupts this interaction abolishes the transcriptional repression by MAN1. Thus, MAN1 represents a new class of R- Smad regulators and defines a previously unrecognized regulatory step at the nuclear periphery. C1 Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA. RP Luo, KX (reprint author), Univ Calif Berkeley, Dept Mol & Cell Biol, 237 Hildebrand Hall,Mail Code 3206, Berkeley, CA 94720 USA. EM kluo@uclink.berkeley.edu RI Pan, Deng/F-8418-2012 FU NCI NIH HHS [CA87940] NR 55 TC 111 Z9 118 U1 0 U2 5 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 22 PY 2005 VL 280 IS 16 BP 15992 EP 16001 DI 10.1074/jbc.M411234200 PG 10 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 917GO UT WOS:000228444800066 PM 15647271 ER PT J AU McCoy, JD Curro, JG AF McCoy, JD Curro, JG TI The colloidal force of bead-spring chains in a good solvent SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID DENSITY-FUNCTIONAL THEORY; MOLECULAR-DYNAMICS SIMULATIONS; GRAFTED POLYMERIC BRUSHES; ADSORPTION; SYSTEMS AB A recently developed density functional theory (DFT) for tethered bead-spring chains is used to investigate colloidal forces for the good solvent case. A planar surface of tethered chains is opposed to a bare, hard wall and the force exerted on the bare wall is calculated by way of the contact density. Previously, the case of large wall separation was investigated. The density profiles of the unperturbed chains, in that case, were found to be neither stepfunctions nor parabolas and were shown to accurately predict computer simulation results. In the present paper, the surface forces that result from the distortion of these density profiles at finite wall separation is studied. The resulting force function is analyzed for varying surface coverages, wall separations, and chain lengths. The results are found to be in near quantitative agreement with the scaling predictions of Alexander [S. Alexander, J. Phys. (Paris) 38, 983 (1977)] when the layer thickness is "correctly" defined. Finally, a hybrid Alexander-DFT theory is suggested for the analysis of experimental results. (c) 2005 American Institute of Physics. C1 New Mexico Inst Min & Technol, Dept Mat & Met Engn, Socorro, NM 87801 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. RP McCoy, JD (reprint author), New Mexico Inst Min & Technol, Dept Mat & Met Engn, Socorro, NM 87801 USA. EM mccoy@nmt.edu RI McCoy, John/B-3846-2010 OI McCoy, John/0000-0001-5404-1404 NR 25 TC 8 Z9 8 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 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD APR 22 PY 2005 VL 122 IS 16 AR 164905 DI 10.1063/1.1884113 PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 928RB UT WOS:000229288300040 PM 15945705 ER PT J AU Tait, SL Dohnalek, Z Campbell, CT Kay, BD AF Tait, SL Dohnalek, Z Campbell, CT Kay, BD TI n-Alkanes on MgO(100). I. Coverage-dependent desorption kinetics of n-butane SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID THERMAL-DESORPTION; OLIGOMER DESORPTION; OXIDE SURFACES; ADSORPTION; CO; PHYSISORPTION; ENERGETICS; GRAPHITE; ENERGIES; METHANE AB High-quality temperature-programmed desorption (TPD) measurements of n-butane from MgO(100) have been made for a large number of initial butane coverages (0-3.70 ML, ML-monolayers) and a wide range of heating ramp rates (0.3-10 K/s). We present a TPD analysis technique which allows the coverage-dependent desorption energy to be accurately determined by mathematical inversion of a TPD spectrum, assuming only that the preexponential factor (prefactor) is coverage independent. A variational method is used to determine the prefactor that minimizes the difference between a set of simulated TPD spectra and corresponding experimental data. The best fit for butane desorption from MgO is obtained with a prefactor of 10(15.7 +/- 1.6) s(-1). The desorption energy is 34.9 +/- 3.4 kJ/mol at 0.5-ML coverage, and varies with coverage approximately as E-d(theta)=34.5+0.566 theta+8.37exp(-theta/0.101). Simulations based on these results can accurately reproduce TPD experiments for submonolayer initial coverages over a wide range of heating ramp rates (0.3-10 K/s). Advantages and limitations of this method are discussed. (D 2005 American Institute of Physics. C1 Univ Washington, Dept Phys, Seattle, WA 98195 USA. Pacific NW Natl Lab, Div Chem Sci, Fundamental Sci Directorate, Richland, WA 99352 USA. Univ Washington, Dept Chem, Seattle, WA 98195 USA. RP Kay, BD (reprint author), Pacific NW Natl Lab, Div Chem Sci, Fundamental Sci Directorate, Richland, WA 99352 USA. EM bruce.kay@pnl.gov RI Tait, Steven/I-5985-2013; OI Tait, Steven/0000-0001-8251-5232; Dohnalek, Zdenek/0000-0002-5999-7867 NR 32 TC 52 Z9 52 U1 2 U2 43 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 2005 VL 122 IS 16 AR 164707 DI 10.1063/1.1883629 PG 9 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 928RB UT WOS:000229288300034 PM 15945699 ER PT J AU Tait, SL Dohnalek, Z Campbell, CT Kay, BD AF Tait, SL Dohnalek, Z Campbell, CT Kay, BD TI n-Alkanes on MgO(100). II. Chain length dependence of kinetic desorption parameters for small n-alkanes SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID THERMAL-DESORPTION; MOLECULAR ADSORPTION; ACTIVATION-ENERGIES; SURFACES; ENERGETICS; PHYSISORPTION; HYDROCARBONS; DIFFUSION; CO AB Coverage-dependent desorption-kinetics parameters are obtained from high-quality temperature-programmed desorption data for seven small n-alkane molecules on MgO(100). The molecules, CNH2N+2,2 (Al=1-4,6,8,10), were each studied for a set of 29 initial coverages at a heating ramp rate of 0.6 K/s as well as at a set of nine ramp rates in the range of 0.3- 10.0 K/s. The inversion analysis method with its least-squares preexponential factor (prefactor) optimization discussed in the accompanying article is applied to these data. This method allows for accurate determination of prefactors and coverage-dependent desorption energies. The prefactor for desorption increases dramatically with chain length from 10(13.1) to 10(19.1) s(-1) over the range of N =1-10. We show that this increase can be physically justified by considering the increase in rotational entropy available to the molecules in the gaslike transition state for desorption. The desorption energy increases with chain length as E-d(N)=6.5+7.lN, which implies an incremental increase of 7.1 +/- 0.2 kJ/mol per CH2. (c) 2005 American Institute of Physics. C1 Pacific NW Natl Lab, Div Chem Sci, Fundamental Sci Directorate, Richland, WA 99352 USA. Univ Washington, Dept Phys, Seattle, WA 98195 USA. Univ Washington, Dept Chem, Seattle, WA 98195 USA. RP Kay, BD (reprint author), Pacific NW Natl Lab, Div Chem Sci, Fundamental Sci Directorate, Richland, WA 99352 USA. EM bruce.kay@pnl.gov RI Tait, Steven/I-5985-2013; OI Tait, Steven/0000-0001-8251-5232; Dohnalek, Zdenek/0000-0002-5999-7867 NR 27 TC 84 Z9 84 U1 5 U2 41 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 2005 VL 122 IS 16 AR 164708 DI 10.1063/1.1883630 PG 13 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 928RB UT WOS:000229288300035 PM 15945700 ER PT J AU Yu, HG AF Yu, HG TI A coherent discrete variable representation method for multidimensional systems in physics SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID QUANTUM-MECHANICAL PROBLEMS; CHEMICAL-REACTIONS; MATRIX ELEMENTS; BASIS-SETS AB A coherent discrete variable representation (ZDVR) is proposed for constructing a multidimensional potential-optimized DVR basis. The multidimensional quadrature pivots are obtained by diagonalizing a complex coordinate operator matrix in a finite basis set, which is spanned by the lowest eigenstates of a two-dimensional reference Hamiltonian. Here a c-norm condition is used in the diagonalization procedure. The orthonormal eigenvectors define a collocation matrix connecting the localized ZDVR basis functions and the finite basis set. The method is applied to two vibrational models for computing the lowest bound states. Results show that the ZDVR method provides exponential convergence and accurate energies. Finally, a zeroth-order approximation method is also derived. (c) 2005 American Institute of Physics. C1 Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Yu, HG (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. EM hgy@bnl.gov RI Yu, Hua-Gen/N-7339-2015 NR 18 TC 17 Z9 17 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 2005 VL 122 IS 16 AR 164107 DI 10.1063/1.1884116 PG 6 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 928RB UT WOS:000229288300007 PM 15945672 ER PT J AU Johnson, JR Wing, S AF Johnson, JR Wing, S TI A solar cycle dependence of nonlinearity in magnetospheric activity SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS LA English DT Article ID ION-CYCLOTRON WAVES; GEOMAGNETIC-ACTIVITY; TIME-SERIES; RING CURRENT; NEURAL-NETWORKS; SURROGATE DATA; WIND SPEED; DYNAMICS; MODEL; ELECTRONS AB [1] The nonlinear dependencies inherent to the historical K-p data stream ( 1932 - 2003) are examined using mutual information and cumulant-based cost as discriminating statistics. The discriminating statistics are compared with surrogate data streams that are constructed using the corrected amplitude adjustment Fourier transform (CAAFT) method and capture the linear properties of the original Kp data. Differences are regularly seen in the discriminating statistics a few years prior to solar minima, while no differences are apparent at the time of solar maxima. These results suggest that the dynamics of the magnetosphere tend to be more linear at solar maximum than at solar minimum. The strong nonlinear dependencies tend to peak on a timescale around 40 - 50 hours and are statistically significant up to 1 week. Because the solar wind driver variables, VBs, and dynamical pressure exhibit a much shorter decorrelation time for nonlinearities, the results seem to indicate that the nonlinearity is related to internal magnetospheric dynamics. Moreover, the timescales for the nonlinearity seem to be on the same order as that for storm/ring current relaxation. We suggest that the strong solar wind driving that occurs around solar maximum dominates the magnetospheric dynamics, suppressing the internal magnetospheric nonlinearity. On the other hand, in the descending phase of the solar cycle just prior to solar minimum, when magnetospheric activity is weaker, the dynamics exhibit a significant nonlinear internal magnetospheric response that may be related to increased solar wind speed. C1 Princeton Univ, Plasma Phys Lab, Princeton, NJ 08543 USA. Johns Hopkins Univ, Appl Phys Lab, Laurel, MD USA. RP Johnson, JR (reprint author), Princeton Univ, Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. EM jrj@pppl.gov NR 57 TC 15 Z9 16 U1 3 U2 5 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-9380 EI 2169-9402 J9 J GEOPHYS RES-SPACE JI J. Geophys. Res-Space Phys. PD APR 22 PY 2005 VL 110 IS A4 AR A04211 DI 10.1029/2004JA010638 PG 20 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 922RQ UT WOS:000228856000001 ER PT J AU Tsuruta, H Kihara, H Sano, T Amemiya, Y Vachette, P AF Tsuruta, H Kihara, H Sano, T Amemiya, Y Vachette, P TI Influence of nucleotide effectors on the kinetics of the quaternary structure transition of allosteric aspartate transcarbamylase SO JOURNAL OF MOLECULAR BIOLOGY LA English DT Article DE allostery; transferase; solution X-ray scattering; quaternary structure transition; kinetics ID PHOSPHONACETYL-L-ASPARTATE; X-RAY-SCATTERING; ESCHERICHIA-COLI; BISUBSTRATE ANALOG; R-STATE; CONFORMATIONAL-CHANGES; CRYSTAL-STRUCTURE; CARBAMOYLTRANSFERASE; BINDING; MODEL AB We report the effects of allosteric effectors, ATP, CTP and UTP on the kinetics of the quaternary structure change of Escherichia coli ATCase during the enzyme reaction with physiological substrates. Time-resolved, small-angle, X-ray scattering of solutions allows direct observation of structural transitions over the entire time-course of the enzyme reaction initiated by fast mixing of the enzyme and substrates. In the absence of effectors, all scattering patterns recorded during the reaction are consistent with a two-state, concerted transition model, involving no detectable intermediate conformation that differs from the less active, unliganded T-state and the more active, substrate-bound R-state. The latter predominates during the steady-state phase of enzyme catalysis, while the initial T-state is recovered after substrate consumption. The concerted character of the structural transition is preserved in the presence of all effectors. CTP slightly shifts the dynamical equilibrium during a shortened steady state toward T while the additional presence of UTP makes the steady state vanishingly short. The return transition to the T conformation is slowed significantly in the presence of inhibitors, the effect being most severe in the presence of UTP. While ATP increases the apparent T to R rate, it also increases the duration of the steady-state phase, an apparently paradoxical observation. This observation can be accounted for by the greater increase in the association rate constant of aspartate, promoted by ATP, while the nucleotide produces a lesser degree of increase in the dissociation rate constant. Under our experimental conditions, using high concentrations of both enzyme and substrate, it appears that this very mechanism of activation turns the activator into an efficient inhibitor. The scattering patterns recorded in the presence of ATP support the view that ATP alters the quaternary structure of the substrate-bound enzyme, an effect reminiscent of the reported modification of PALA-bound R-state by Mg-ATP. (c) 2005 Elsevier Ltd. All rights reserved. C1 Univ Paris 11, CNRS, IBBMC, UMR 8619, F-91405 Orsay, France. Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. Kansai Med Univ, Dept Phys, Hirakata, Osaka 5731136, Japan. Oita Univ, Fac Med, Phys Lab, Oita 8795593, Japan. Univ Tokyo, Grad Sch Frontier Sci, Dept Adv Mat Sci, Kashiwa, Chiba 2778561, Japan. RP Tsuruta, H (reprint author), Univ Paris 11, CNRS, IBBMC, UMR 8619, Bat 430, F-91405 Orsay, France. EM tsuruta@slac.stanford.edu; patrice.vachette@ibbmc.u-psud.fr NR 33 TC 8 Z9 8 U1 2 U2 8 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 22 PY 2005 VL 348 IS 1 BP 195 EP 204 DI 10.1016/j.jmb.2005.02.041 PG 10 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 915KG UT WOS:000228302500015 PM 15808863 ER PT J AU Abazov, VM Abbott, B Abolins, M Acharya, BS Adams, M Adams, T Agelou, M Agram, JL Ahn, SH Ahsan, M Alexeev, GD Alkhazov, G Alton, A Alverson, G Alves, GA Anastasoaie, M Anderson, S Andrieu, B Arnoud, Y Askew, A Asman, B Atramentov, O Autermann, C Avila, C Badaud, F Baden, A Baldin, B Balm, PW Banerjee, S Barberis, E Bargassa, P Baringer, P Barnes, C Barreto, J Bartlett, JF Bassler, U Bauer, D Bean, A Beauceron, S Begel, M Bellavance, A Beri, SB Bernardi, G Bernhard, R Bertram, I Besancon, M Beuselinck, R Bezzubov, VA Bhat, PC Bhatnagar, V Binder, M Black, KM Blackler, I Blazey, G Blekman, F Blessing, S Bloch, D Blumenschein, U Boehnlein, A Boeriu, O Bolton, TA Borcherding, F Borissov, G Bos, K Bose, T Brandt, A Brock, R Brooijmans, G Bross, A Buchanan, NJ Buchholz, D Buehler, M Buescher, V Burdin, S Burnett, TH Busato, E Butler, JM Bystricky, J Carvalho, W Casey, BCK Cason, NM Castilla-Valdez, H Chakrabarti, S Chakraborty, D Chan, KM Chandra, A Chapin, D Charles, F Cheu, E Chevalier, L Cho, DK Choi, S Christiansen, T Christofek, L Claes, D Clement, B Clement, C Coadou, Y Cooke, M Cooper, WE Coppage, D Corcoran, M Coss, J Cothenet, A Cousinou, MC Crepe-Renaudin, S Cristetiu, M Cummings, MAC Cutts, D da Motta, H Davies, B Davies, G Davis, GA De, K de Jong, P de Jong, SJ De La Cruz-Burelo, E De Oliveria Martins, C Dean, S Deliot, F Delsart, PA Demarteau, M Demina, R Demine, P Denisov, D Denisov, SP Desai, S Diehl, HT Diesburg, M Doidge, M Dong, H Doulas, S Duflot, L Dugad, SR Duperrin, A Dyer, J Dyshkant, A Eads, M Edmunds, D Edwards, T Ellison, J Elmsheuser, J Eltzroth, JT Elvira, VD Eno, S Ermolov, P Eroshin, OV Estrada, J Evans, D Evans, H Evdokimov, A Evdokimov, VN Fast, J Fatakia, SN Feligioni, L Ferbel, T Fiedler, F Filthaut, F Fisher, W Fisk, HE Fortner, M Fox, H Freeman, W Fu, S Fuess, S Gadfort, T Galea, CF Gallas, E Galyaev, E Garcia, C Garcia-Bellido, A Gardner, J Gavrilov, V Gay, P Gele, D Gelhaus, R Genser, K Gerber, CE Gershtein, Y Ginther, G Golling, T Gomez, B Gounder, K Goussiou, A Grannis, PD Greder, S Greenlee, H Greenwood, ZD Gregores, EM Gris, P Grivaz, JF Groer, L Grunendahl, S Grunewald, MW Gurzhiev, SN Gutierrez, G Gutierrez, P Haas, A Hadley, NJ Hagopian, S Hall, I Hall, RE Han, C Han, L Hanagaki, K Harder, K Harrington, R Hauptman, JM Hauser, R Hays, J Hebbeker, T Hedin, D Heinmiller, JM Heinson, AP Heintz, U Hensel, C Hesketh, G Hildreth, MD Hirosky, R Hobbs, JD Hoeneisen, B Hohlfeld, M Hong, SJ Hooper, R Houben, P Hu, Y Huang, J Iashvili, I Illingworth, R Ito, AS Jabeen, S Jaffre, M Jain, S Jain, V Jakobs, K Jenkins, A Jesik, R Johns, K Johnson, M Jonckheere, A Jonsson, P Jostlein, H Juste, A Kado, MM Kafer, D Kahl, W Kahn, S Kajfasz, E Kalinin, AM Kalk, J Karmanov, D Kasper, J Kau, D Kehoe, R Kermiche, S Kesisoglou, S Khanov, A Kharchilava, A Kharzheev, YM Kim, KH Klima, B Klute, M Kohli, JM Kopal, M Korablev, VM Kotcher, J Kothari, B Koubarovsky, A Kozelov, AV Kozminski, J Krzywdzinski, S Kuleshov, S Kulik, Y Kunori, S Kupco, A Kurca, T Lager, S Lahrichi, N Landsberg, G Lazoflores, J Le Bihan, AC Lebrun, P Lee, SW Lee, WM Leflat, A Lehner, F Leonidopoulos, C Lewis, P Li, J Li, QZ Lima, JGR Lincoln, D Linn, SL Linnemann, J Lipaev, VV Lipton, R Lobo, L Lobodenko, A Lokajicek, M Lounis, A Lubatti, HJ Lueking, L Lynker, M Lyon, AL Maciel, AKA Madaras, RJ Mattig, P Magerkurth, A Magnan, AM Makovec, N Mal, PK Malik, S Malyshev, VL Mao, HS Maravin, Y Martens, M Mattingly, SEK Mayorov, AA McCarthy, R McCroskey, R Meder, D Melanson, HL Melnitchouk, A Merkin, M Merritt, KW Meyer, A Miettinen, H Mihalcea, D Mitrevski, J Mokhov, N Molina, J Mondal, NK Montgomery, HE Moore, RW Muanza, GS Mulders, M Mutaf, YD Nagy, E Narain, M Naumann, NA Neal, HA Negret, JP Nelson, S Neustroev, P Noeding, C Nomerotski, A Novaes, SF Nunnemann, T Nurse, E O'Dell, V O'Neil, DC Oguri, V Oliveira, N Oshima, N Garzon, GJOY Padley, P Parashar, N Park, J Park, SK Parsons, J Partridge, R Parua, N Patwa, A Perea, PM Perez, E Peters, O Petroff, P Petteni, M Phaf, L Piegaia, R Podesta-Lerma, PLM Podstavkov, VM Pogorelov, Y Pope, BG da Silva, WLP Prosper, HB Protopopescu, S Przybycien, MB Qian, J Quadt, A Quinn, B Rani, KJ Rapidis, PA Ratoff, PN Reay, NW Reucroft, S Rijssenbeek, M Ripp-Baudot, I Rizatdinova, F Royon, C Rubinov, P Ruchti, R Sajot, G Sanchez-Hernandez, A Sanders, MP Santoro, A Savage, G Sawyer, L Scanlon, T Schamberger, RD Schellman, H Schieferdecker, P Schmitt, C Schukin, AA Schwartzman, A Schwienhorst, R Sengupta, S Severini, H Shabalina, E Shamim, M Shary, V Shephard, WD Shpakov, D Sidwell, RA Simak, V Sirotenko, V Skubic, P Slattery, P Smith, RP Smolek, K Snow, GR Snow, J Snyder, S Soldner-Rembold, S Song, X Song, Y Sonnenschein, L Sopczak, A Sosebee, M Soustruznik, K Souza, M Spurlock, B Stanton, NR Stark, J Steele, J Steinbruck, G Stevenson, K Stolin, V Stone, A Stoyanova, DA Strandberg, J Strang, MA Strauss, M Strohmer, R Strovink, M Stutte, L Sumowidagdo, S Sznajder, A Talby, M Tamburello, P Taylor, W Telford, P Temple, J Tentindo-Repond, S Thomas, E Thooris, B Tomoto, M Toole, T Torborg, J Towers, S Trefzger, T Trincaz-Duvoid, S Tuchming, B Tully, C Turcot, AS Tuts, PM Uvarov, L Uvarov, S Uzunyan, S Vachon, B Van Kooten, R van Leeuwen, WM Varelas, N Varnes, EW Vasilyev, IA Vaupel, M Verdier, P Vertogradov, LS Verzocchi, M Villeneuve-Seguier, F Vlimant, JR Von Toerne, E Vreeswijk, M Anh, TV Wahl, HD Walker, R Wang, L Wang, ZM Warchol, J Warsinsky, M Watts, G Wayne, M Weber, M Weerts, H Wegner, M Wermes, N White, A White, V Whiteson, D Wicke, D Wijngaarden, DA Wilson, GW Wimpenny, SJ Wittlin, J Wobisch, M Womersley, J Wood, DR Wyatt, TR Xu, Q Xuan, N Yamada, R Yan, M Yasuda, T Yatsunenko, YA Yen, Y Yip, K Youn, SW Yu, J Yurkewicz, A Zabi, A Zatserklyaniy, A Zdrazil, M Zeitnitz, C Zhang, D Zhang, X Zhao, T Zhao, Z Zhou, B Zhu, J Zielinski, M Zieminska, D Zieminski, A Zitoun, R Zutshi, V Zverev, EG Zylberstejn, A AF Abazov, VM Abbott, B Abolins, M Acharya, BS Adams, M Adams, T Agelou, M Agram, JL Ahn, SH Ahsan, M Alexeev, GD Alkhazov, G Alton, A Alverson, G Alves, GA Anastasoaie, M Anderson, S Andrieu, B Arnoud, Y Askew, A Asman, B Atramentov, O Autermann, C Avila, C Badaud, F Baden, A Baldin, B Balm, PW Banerjee, S Barberis, E Bargassa, P Baringer, P Barnes, C Barreto, J Bartlett, JF Bassler, U Bauer, D Bean, A Beauceron, S Begel, M Bellavance, A Beri, SB Bernardi, G Bernhard, R Bertram, I Besancon, M Beuselinck, R Bezzubov, VA Bhat, PC Bhatnagar, V Binder, M Black, KM Blackler, I Blazey, G Blekman, F Blessing, S Bloch, D Blumenschein, U Boehnlein, A Boeriu, O Bolton, TA Borcherding, F Borissov, G Bos, K Bose, T Brandt, A Brock, R Brooijmans, G Bross, A Buchanan, NJ Buchholz, D Buehler, M Buescher, V Burdin, S Burnett, TH Busato, E Butler, JM Bystricky, J Carvalho, W Casey, BCK Cason, NM Castilla-Valdez, H Chakrabarti, S Chakraborty, D Chan, KM Chandra, A Chapin, D Charles, F Cheu, E Chevalier, L Cho, DK Choi, S Christiansen, T Christofek, L Claes, D Clement, B Clement, C Coadou, Y Cooke, M Cooper, WE Coppage, D Corcoran, M Coss, J Cothenet, A Cousinou, MC Crepe-Renaudin, S Cristetiu, M Cummings, MAC Cutts, D da Motta, H Davies, B Davies, G Davis, GA De, K de Jong, P de Jong, SJ De La Cruz-Burelo, E De Oliveria Martins, C Dean, S Deliot, F Delsart, PA Demarteau, M Demina, R Demine, P Denisov, D Denisov, SP Desai, S Diehl, HT Diesburg, M Doidge, M Dong, H Doulas, S Duflot, L Dugad, SR Duperrin, A Dyer, J Dyshkant, A Eads, M Edmunds, D Edwards, T Ellison, J Elmsheuser, J Eltzroth, JT Elvira, VD Eno, S Ermolov, P Eroshin, OV Estrada, J Evans, D Evans, H Evdokimov, A Evdokimov, VN Fast, J Fatakia, SN Feligioni, L Ferbel, T Fiedler, F Filthaut, F Fisher, W Fisk, HE Fortner, M Fox, H Freeman, W Fu, S Fuess, S Gadfort, T Galea, CF Gallas, E Galyaev, E Garcia, C Garcia-Bellido, A Gardner, J Gavrilov, V Gay, P Gele, D Gelhaus, R Genser, K Gerber, CE Gershtein, Y Ginther, G Golling, T Gomez, B Gounder, K Goussiou, A Grannis, PD Greder, S Greenlee, H Greenwood, ZD Gregores, EM Gris, P Grivaz, JF Groer, L Grunendahl, S Grunewald, MW Gurzhiev, SN Gutierrez, G Gutierrez, P Haas, A Hadley, NJ Hagopian, S Hall, I Hall, RE Han, C Han, L Hanagaki, K Harder, K Harrington, R Hauptman, JM Hauser, R Hays, J Hebbeker, T Hedin, D Heinmiller, JM Heinson, AP Heintz, U Hensel, C Hesketh, G Hildreth, MD Hirosky, R Hobbs, JD Hoeneisen, B Hohlfeld, M Hong, SJ Hooper, R Houben, P Hu, Y Huang, J Iashvili, I Illingworth, R Ito, AS Jabeen, S Jaffre, M Jain, S Jain, V Jakobs, K Jenkins, A Jesik, R Johns, K Johnson, M Jonckheere, A Jonsson, P Jostlein, H Juste, A Kado, MM Kafer, D Kahl, W Kahn, S Kajfasz, E Kalinin, AM Kalk, J Karmanov, D Kasper, J Kau, D Kehoe, R Kermiche, S Kesisoglou, S Khanov, A Kharchilava, A Kharzheev, YM Kim, KH Klima, B Klute, M Kohli, JM Kopal, M Korablev, VM Kotcher, J Kothari, B Koubarovsky, A Kozelov, AV Kozminski, J Krzywdzinski, S Kuleshov, S Kulik, Y Kunori, S Kupco, A Kurca, T Lager, S Lahrichi, N Landsberg, G Lazoflores, J Le Bihan, AC Lebrun, P Lee, SW Lee, WM Leflat, A Lehner, F Leonidopoulos, C Lewis, P Li, J Li, QZ Lima, JGR Lincoln, D Linn, SL Linnemann, J Lipaev, VV Lipton, R Lobo, L Lobodenko, A Lokajicek, M Lounis, A Lubatti, HJ Lueking, L Lynker, M Lyon, AL Maciel, AKA Madaras, RJ Mattig, P Magerkurth, A Magnan, AM Makovec, N Mal, PK Malik, S Malyshev, VL Mao, HS Maravin, Y Martens, M Mattingly, SEK Mayorov, AA McCarthy, R McCroskey, R Meder, D Melanson, HL Melnitchouk, A Merkin, M Merritt, KW Meyer, A Miettinen, H Mihalcea, D Mitrevski, J Mokhov, N Molina, J Mondal, NK Montgomery, HE Moore, RW Muanza, GS Mulders, M Mutaf, YD Nagy, E Narain, M Naumann, NA Neal, HA Negret, JP Nelson, S Neustroev, P Noeding, C Nomerotski, A Novaes, SF Nunnemann, T Nurse, E O'Dell, V O'Neil, DC Oguri, V Oliveira, N Oshima, N Garzon, GJOY Padley, P Parashar, N Park, J Park, SK Parsons, J Partridge, R Parua, N Patwa, A Perea, PM Perez, E Peters, O Petroff, P Petteni, M Phaf, L Piegaia, R Podesta-Lerma, PLM Podstavkov, VM Pogorelov, Y Pope, BG da Silva, WLP Prosper, HB Protopopescu, S Przybycien, MB Qian, J Quadt, A Quinn, B Rani, KJ Rapidis, PA Ratoff, PN Reay, NW Reucroft, S Rijssenbeek, M Ripp-Baudot, I Rizatdinova, F Royon, C Rubinov, P Ruchti, R Sajot, G Sanchez-Hernandez, A Sanders, MP Santoro, A Savage, G Sawyer, L Scanlon, T Schamberger, RD Schellman, H Schieferdecker, P Schmitt, C Schukin, AA Schwartzman, A Schwienhorst, R Sengupta, S Severini, H Shabalina, E Shamim, M Shary, V Shephard, WD Shpakov, D Sidwell, RA Simak, V Sirotenko, V Skubic, P Slattery, P Smith, RP Smolek, K Snow, GR Snow, J Snyder, S Soldner-Rembold, S Song, X Song, Y Sonnenschein, L Sopczak, A Sosebee, M Soustruznik, K Souza, M Spurlock, B Stanton, NR Stark, J Steele, J Steinbruck, G Stevenson, K Stolin, V Stone, A Stoyanova, DA Strandberg, J Strang, MA Strauss, M Strohmer, R Strovink, M Stutte, L Sumowidagdo, S Sznajder, A Talby, M Tamburello, P Taylor, W Telford, P Temple, J Tentindo-Repond, S Thomas, E Thooris, B Tomoto, M Toole, T Torborg, J Towers, S Trefzger, T Trincaz-Duvoid, S Tuchming, B Tully, C Turcot, AS Tuts, PM Uvarov, L Uvarov, S Uzunyan, S Vachon, B Van Kooten, R van Leeuwen, WM Varelas, N Varnes, EW Vasilyev, IA Vaupel, M Verdier, P Vertogradov, LS Verzocchi, M Villeneuve-Seguier, F Vlimant, JR Von Toerne, E Vreeswijk, M Anh, TV Wahl, HD Walker, R Wang, L Wang, ZM Warchol, J Warsinsky, M Watts, G Wayne, M Weber, M Weerts, H Wegner, M Wermes, N White, A White, V Whiteson, D Wicke, D Wijngaarden, DA Wilson, GW Wimpenny, SJ Wittlin, J Wobisch, M Womersley, J Wood, DR Wyatt, TR Xu, Q Xuan, N Yamada, R Yan, M Yasuda, T Yatsunenko, YA Yen, Y Yip, K Youn, SW Yu, J Yurkewicz, A Zabi, A Zatserklyaniy, A Zdrazil, M Zeitnitz, C Zhang, D Zhang, X Zhao, T Zhao, Z Zhou, B Zhu, J Zielinski, M Zieminska, D Zieminski, A Zitoun, R Zutshi, V Zverev, EG Zylberstejn, A CA D0 Collaboration TI Measurement of the WW production cross section in p(p)over-bar collisions at root(s)over-bar=1.96 TeV SO PHYSICAL REVIEW LETTERS LA English DT Article ID PHYSICS; W+ AB We present a measurement of the W boson pair-production cross section in p(p) over bar collisions at a center-of-mass energy of root s=1.96 TeV. The data, collected with the Run II D0 detector at Fermilab, correspond to an integrated luminosity of 224-252 pb(-1) depending on the final state (ee, e mu, or mu mu). We observe 25 candidates with a background expectation of 8.1 +/- 0.6(stat)+/- 0.6(syst)+/- 0.5(lum) events. The probability for an upward fluctuation of the background to produce the observed signal is 2.3x10(-7), equivalent to 5.2 standard deviations. The measurement yields a cross section of 13.8(-3.8)(+4.3)(stat)(-0.9)(+1.2)(syst)+/- 0.9(lum) pb, in agreement with predictions from the standard model. C1 Joint Inst Nucl Res, Dubna, Russia. Univ Buenos Aires, Buenos Aires, DF, Argentina. Ctr Brasileiro Pesquisas Fis, LAFEX, Rio De Janeiro, Brazil. Univ Estado Rio de Janeiro, Rio De Janeiro, Brazil. Univ Estadual Paulista, Inst Fis Teor, BR-01405 Sao Paulo, Brazil. Simon Fraser Univ, Burnaby, BC V5A 1S6, Canada. Univ Alberta, Edmonton, AB, Canada. McGill Univ, Montreal, PQ, Canada. York Univ, Toronto, ON M3J 2R7, Canada. Inst High Energy Phys, Beijing 100039, Peoples R China. Univ Los Andes, Bogota, Colombia. Charles Univ Prague, Ctr Particle Phys, Prague, Czech Republic. Czech Tech Univ, CR-16635 Prague, Czech Republic. Acad Sci Czech Republic, Inst Phys, Ctr Particle Phys, Prague, Czech Republic. Univ San Francisco Quito, Quito, Ecuador. Univ Clermont Ferrand, Phys Corpusculaire Lab, CNRS, IN2P3, Clermont Ferrand, France. Univ Grenoble 1, Lab Phys Subatom & Cosmol, CNRS, IN2P3, Grenoble, France. Univ Aix Marseille 2, CPPM, CNRS, IN2P3, Marseille, France. Lab Accelerateur Lineaire, CNRS, IN2P3, F-91405 Orsay, France. Univ Paris 06, LPNHE, CNRS, IN2P3, Paris, France. Univ Paris 07, LPNHE, CNRS, IN2P3, Paris, France. CEA, Serv Phys Particules, DAPNIA, Saclay, France. Univ Strasbourg, IReS, CNRS, IN2P3, Strasbourg, France. Univ Haute Alsace, Mulhouse, France. Univ Lyon 1, Inst Phys Nucl Lyon, CNRS, IN2P3, F-69622 Villeurbanne, France. Rhein Westfal TH Aachen, Phys Inst A 3, D-5100 Aachen, Germany. Univ Bonn, Inst Phys, D-5300 Bonn, Germany. Univ Freiburg, Inst Phys, Freiburg, Germany. Johannes Gutenberg Univ Mainz, Inst Phys, D-6500 Mainz, Germany. Univ Munich, Munich, Germany. Univ Wuppertal, Fachbereich Phys, Wuppertal, Germany. Panjab Univ, Chandigarh 160014, India. Tata Inst Fundamental Res, Bombay 400005, Maharashtra, India. Univ Coll Dublin, Dublin 2, Ireland. Korea Univ, Korea Detector Lab, Seoul 136701, South Korea. CINVESTAV, Mexico City 14000, DF, Mexico. FOM, Inst NIKHEF, NL-1098 SJ Amsterdam, Netherlands. Univ Amsterdam, NIKHEF, Amsterdam, Netherlands. Univ Nijmegen, NIKHEF, Nijmegen, Netherlands. Inst Theoret & Expt Phys, Moscow 117259, Russia. Moscow MV Lomonosov State Univ, Moscow, Russia. Inst High Energy Phys, Protvino, Russia. Petersburg Nucl Phys Inst, St Petersburg, Russia. Lund Univ, Lund, Sweden. Royal Inst Technol, Stockholm, Sweden. Stockholm Univ, S-10691 Stockholm, Sweden. 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Michigan State Univ, E Lansing, MI 48824 USA. Univ Mississippi, University, MS 38677 USA. Univ Nebraska, Lincoln, NE 68588 USA. Princeton Univ, Princeton, NJ 08544 USA. Columbia Univ, New York, NY 10027 USA. Univ Rochester, Rochester, NY 14627 USA. SUNY Stony Brook, Stony Brook, NY 11794 USA. Brookhaven Natl Lab, Upton, NY 11973 USA. Langston Univ, Langston, OK 73050 USA. Univ Oklahoma, Norman, OK 73019 USA. Brown Univ, Providence, RI 02912 USA. Univ Texas, Arlington, TX 76019 USA. So Methodist Univ, Dallas, TX 75275 USA. Rice Univ, Houston, TX 77005 USA. Univ Virginia, Charlottesville, VA 22901 USA. Univ Washington, Seattle, WA 98195 USA. RP Joint Inst Nucl Res, Dubna, Russia. RI Juste, Aurelio/I-2531-2015; Oguri, Vitor/B-5403-2013; Alves, Gilvan/C-4007-2013; Santoro, Alberto/E-7932-2014; Deliot, Frederic/F-3321-2014; Sharyy, Viatcheslav/F-9057-2014; Canelli, Florencia/O-9693-2016; Sznajder, Andre/L-1621-2016; Leflat, Alexander/D-7284-2012; Gutierrez, Phillip/C-1161-2011; Nomerotski, Andrei/A-5169-2010; Telford, Paul/B-6253-2011; Yip, Kin/D-6860-2013; Kuleshov, Sergey/D-9940-2013; De, Kaushik/N-1953-2013; Fisher, Wade/N-4491-2013; Merkin, Mikhail/D-6809-2012; Novaes, Sergio/D-3532-2012; Bargassa, Pedrame/O-2417-2016; Grinstein, Sebastian/N-3988-2014 OI Juste, Aurelio/0000-0002-1558-3291; de Jong, Sijbrand/0000-0002-3120-3367; Landsberg, Greg/0000-0002-4184-9380; Gershtein, Yuri/0000-0002-4871-5449; Duperrin, Arnaud/0000-0002-5789-9825; Hoeneisen, Bruce/0000-0002-6059-4256; Malik, Sudhir/0000-0002-6356-2655; Leonidopoulos, Christos/0000-0002-7241-2114; Blekman, Freya/0000-0002-7366-7098; Blazey, Gerald/0000-0002-7435-5758; Graham, Gerard/0000-0002-7801-204X; Evans, Harold/0000-0003-2183-3127; Beuselinck, Raymond/0000-0003-2613-7446; Sharyy, Viatcheslav/0000-0002-7161-2616; Canelli, Florencia/0000-0001-6361-2117; Sznajder, Andre/0000-0001-6998-1108; Yip, Kin/0000-0002-8576-4311; Kuleshov, Sergey/0000-0002-3065-326X; De, Kaushik/0000-0002-5647-4489; Novaes, Sergio/0000-0003-0471-8549; Sawyer, Lee/0000-0001-8295-0605; Hedin, David/0000-0001-9984-215X; Wahl, Horst/0000-0002-1345-0401; Hays, Chris/0000-0003-2371-9723; Weber, Michele/0000-0002-2770-9031; Melnychuk, Oleksandr/0000-0002-2089-8685; Bassler, Ursula/0000-0002-9041-3057; Filthaut, Frank/0000-0003-3338-2247; Naumann, Axel/0000-0002-4725-0766; Fatakia, Sarosh/0000-0003-0430-3191; Bertram, Iain/0000-0003-4073-4941; Heinson, Ann/0000-0003-4209-6146; grannis, paul/0000-0003-4692-2142; Qian, Jianming/0000-0003-4813-8167; Bean, Alice/0000-0001-5967-8674; Strovink, Mark/0000-0001-7020-7769; Madaras, Ronald/0000-0001-7399-2993; Bargassa, Pedrame/0000-0001-8612-3332; Begel, Michael/0000-0002-1634-4399; Haas, Andrew/0000-0002-4832-0455; Grinstein, Sebastian/0000-0002-6460-8694 NR 22 TC 108 Z9 110 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. 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Freeman, W Fu, S Fuess, S Gadfort, T Galea, CF Gallas, E Galyaev, E Garcia, C Garcia-Bellido, A Gardner, J Gavrilov, V Gay, P Gele, D Gelhaus, R Genser, K Gerber, CE Gershtein, Y Ginther, G Golling, T Gomez, B Gounder, K Goussiou, A Grannis, PD Greder, S Greenlee, H Greenwood, ZD Gregores, EM Gris, P Grivaz, JF Groer, L Grunendahl, S Grunewald, MW Gurzhiev, SN Gutierrez, G Gutierrez, P Haas, A Hadley, NJ Hagopian, S Hall, I Hall, RE Han, C Han, L Hanagaki, K Harder, K Harrington, R Hauptman, JM Hauser, R Hays, J Hebbeker, T Hedin, D Heinmiller, JM Heinson, AP Heintz, U Hensel, C Hesketh, G Hildreth, MD Hirosky, R Hobbs, JD Hoeneisen, B Hohlfeld, M Hong, SJ Hooper, R Houben, P Hu, Y Huang, J Iashvili, I Illingworth, R Ito, AS Jabeen, S Jaffre, M Jain, S Jain, V Jakobs, K Jenkins, A Jesik, R Johns, K Johnson, M Jonckheere, A Jonsson, P Jostlein, H Juste, A Kafer, D Kahl, W Kahn, S Kajfasz, E Kalinin, AM Kalk, J Karmanov, D Kasper, J Kau, D Kaur, R Kehoe, R Kermiche, S Kesisoglou, S 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Zatserklyaniy, A Zdrazil, M Zeitnitz, C Zhang, D Zhang, X Zhao, T Zhao, Z Zhou, B Zhu, J Zielinski, M Zieminska, D Zieminski, A Zitoun, R Zutshi, V Zverev, EG Zylberstejn, A AF Abazov, VM Abbott, B Abolins, M Acharya, BS Adams, M Adams, T Agelou, M Agram, JL Ahn, SH Ahsan, M Alexeev, GD Alkhazov, G Alton, A Alverson, G Alves, GA Anastasoaie, M Andeen, T Anderson, S Andrieu, B Arnoud, Y Askew, A Asman, B Atramentov, O Autermann, C Avila, C Badaud, F Baden, A Baldin, B Balm, PW Banerjee, S Barberis, E Bargassa, P Baringer, P Barnes, C Barreto, J Bartlett, JF Bassler, U Bauer, D Bean, A Beauceron, S Begel, M Bellavance, A Beri, SB Bernardi, G Bernhard, R Bertram, I Besancon, M Beuselinck, R Bezzubov, VA Bhat, PC Bhatnagar, V Binder, M Biscarat, C Black, KM Blackler, I Blazey, G Blekman, F Blessing, S Bloch, D Blumenschein, U Boehnlein, A Boeriu, O Bolton, TA Borcherding, F Borissov, G Bos, K Bose, T Brandt, A Brock, R Brooijmans, G Bross, A Buchanan, NJ Buchholz, D Buehler, M Buescher, V 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Khanov, A Kharchilava, A Kharzheev, YM Kim, KH Klima, B Klute, M Kohli, JM Kopal, M Korablev, VM Kotcher, J Kothari, B Koubarovsky, A Kozelov, AV Kozminski, J Krzywdzinski, S Kuleshov, S Kulik, Y Kumar, A Kunori, S Kupco, A Kurca, T Lager, S Lahrichi, N Landsberg, G Lazoflores, J Le Bihan, AC Lebrun, P Lee, SW Lee, WM Leflat, A Lehner, F Leonidopoulos, C Lewis, P Li, J Li, QZ Lima, JGR Lincoln, D Linn, SL Linnemann, J Lipaev, VV Lipton, R Lobo, L Lobodenko, A Lokajicek, M Lounis, A Lubatti, HJ Lueking, L Lynker, M Lyon, AL Maciel, AKA Madaras, RJ Mattig, P Magerkurth, A Magnan, AM Makovec, N Mal, PK Malik, S Malyshev, VL Mao, HS Maravin, Y Martens, M Mattingly, SEK Mayorov, AA McCarthy, R McCroskey, R Meder, D Melanson, HL Melnitchouk, A Mendes, A Merkin, M Merritt, KW Meyer, A Michaut, M Miettinen, H Mitrevski, J Mokhov, N Molina, J Mondal, NK Moore, RW Muanza, GS Mulders, M Mutaf, YD Nagy, E Narain, M Naumann, NA Neal, HA Negret, JP Nelson, S Neustroev, P Noeding, C Nomerotski, A Novaes, SF Nunnemann, T Nurse, E O'Dell, V O'Neil, DC Oguri, V Oliveira, N Oshima, N Garzon, GJOY Padley, P Parashar, N Park, J Park, SK Parsons, J Partridge, R Parua, N Patwa, A Perea, PM Perez, E Petroff, P Petteni, M Phaf, L Piegaia, R Pleier, MA Podesta-Lerma, PLM Podstavkov, VM Pogorelov, Y Pope, BG da Silva, WLP Prosper, HB Protopopescu, S Qian, J Quadt, A Quinn, B Rani, KJ Ranjan, K Rapidis, PA Ratoff, PN Reay, NW Reucroft, S Rijssenbeek, M Ripp-Baudot, I Rizatdinova, F Royon, C Rubinov, P Ruchti, R Rud, VI Sajot, G Sanchez-Hernandez, A Sanders, MP Santoro, A Savage, G Sawyer, L Scanlon, T Schaile, D Schamberger, RD Schellman, H Schieferdecker, P Schmitt, C Schukin, AA Schwartzman, A Schwienhorst, R Sengupta, S Severini, H Shabalina, E Shamim, M Shary, V Shephard, WD Shivpuri, RK Shpakov, D Sidwell, RA Simak, V Sirotenko, V Skubic, P Slattery, P Smith, RP Smolek, K Snow, GR Snow, J Snyder, S Soldner-Rembold, S Song, X Song, Y Sonnenschein, L Sopczak, A Sosebee, M Soustruznik, K Souza, M Spurlock, B Stanton, NR Stark, J Steele, J Steinbruck, G Stevenson, K Stolin, V Stone, A Stoyanova, DA Strandberg, J Strang, MA Strauss, M Strohmer, R Strom, D Strovink, M Stutte, L Sumowidagdo, S Sznajder, A Talby, M Tamburello, P Taylor, W Telford, P Temple, J Thomas, E Thooris, B Tomoto, M Toole, T Torborg, J Towers, S Trefzger, T Trincaz-Duvoid, S Tuchming, B Tully, C Turcot, AS Tuts, PM Uvarov, L Uvarov, S Uzunyan, S Vachon, B Van Kooten, R van Leeuwen, WM Varelas, N Varnes, EW Vasilyev, IA Vaupel, M Verdier, P Vertogradov, LS Verzocchi, M Villeneuve-Seguier, F Vlimant, JR Von Toerne, E Vreeswijk, M Anh, TV Wahl, HD Walker, R Wang, L Wang, ZM Warchol, J Warsinsky, M Watts, G Wayne, M Weber, M Weerts, H Wegner, M Wermes, N White, A White, V Whiteson, D Wicke, D Wijngaarden, DA Wilson, GW Wimpenny, SJ Wittlin, J Wobisch, M Womersley, J Wood, DR Wyatt, TR Xu, Q Xuan, N Yacoob, S Yamada, R Yan, M Yasuda, T Yatsunenko, YA Yen, Y Yip, K Youn, SW Yu, J Yurkewicz, A Zabi, A Zatserklyaniy, A Zdrazil, M Zeitnitz, C Zhang, D Zhang, X Zhao, T Zhao, Z Zhou, B Zhu, J Zielinski, M Zieminska, D Zieminski, A Zitoun, R Zutshi, V Zverev, EG Zylberstejn, A CA D0 Collaboration TI Search for anomalous heavy-flavor quark production in association with W bosons SO PHYSICAL REVIEW LETTERS LA English DT Article AB We search for anomalous production of heavy-flavor quark jets in association with W bosons at the Fermilab Tevatron p(p) over bar Collider in final states in which the heavy-flavor quark content is enhanced by requiring at least one tagged jet in an event. Jets are tagged using one algorithm based on semileptonic decays of b/c hadrons, and another on their lifetimes. We compare e+jets (164 pb(-1)) and mu+jets (145 pb(-1)) channels collected with the D0 detector at root s = 1.96 TeV to expectations from the standard model and set upper limits on anomalous production of such events. C1 Joint Inst Nucl Res, Dubna, Russia. Univ Buenos Aires, Buenos Aires, DF, Argentina. Ctr Brasileiro Pesquisas Fis, LAFEX, Rio De Janeiro, Brazil. Univ Estado Rio de Janeiro, Rio De Janeiro, Brazil. Univ Estadual Paulista, Inst Fis Teor, BR-01405 Sao Paulo, Brazil. Univ Alberta, Edmonton, AB, Canada. Simon Fraser Univ, Burnaby, BC V5A 1S6, Canada. York Univ, Toronto, ON M3J 2R7, Canada. McGill Univ, Montreal, PQ, Canada. Inst High Energy Phys, Beijing 100039, Peoples R China. Univ Los Andes, Bogota, Colombia. Charles Univ Prague, Ctr Particle Phys, Prague, Czech Republic. Czech Tech Univ, CR-16635 Prague, Czech Republic. Acad Sci Czech Republic, Inst Phys, Ctr Particle Phys, Prague, Czech Republic. Univ San Francisco Quito, Quito, Ecuador. Univ Clermont Ferrand, Phys Corpusculaire Lab, CNRS, IN2P3, Clermont Ferrand, France. Univ Grenoble 1, Lab Phys Subatom & Cosmol, CNRS, IN2P3, Grenoble, France. Univ Aix Marseille 2, CPPM, CNRS, IN2P3, Marseille, France. Lab Accelerateur Lineaire, CNRS, IN2P3, F-91405 Orsay, France. Univ Paris 06, LPNHE, CNRS, IN2P3, Paris, France. Univ Paris 07, LPNHE, CNRS, IN2P3, Paris, France. CEA, Serv Phys Particules, DAPNIA, Saclay, France. Univ Strasbourg, IReS, CNRS, IN2P3, Strasbourg, France. Univ Haute Alsace, Mulhouse, France. Univ Lyon 1, Inst Phys Nucl Lyon, CNRS, IN2P3, F-69622 Villeurbanne, France. Rhein Westfal TH Aachen, Phys Inst A 3, D-5100 Aachen, Germany. Univ Bonn, Inst Phys, D-5300 Bonn, Germany. Univ Freiburg, Inst Phys, Freiburg, Germany. Johannes Gutenberg Univ Mainz, Inst Phys, D-6500 Mainz, Germany. Univ Munich, Munich, Germany. Univ Wuppertal, Fachbereich Phys, Wuppertal, Germany. Panjab Univ, Chandigarh 160014, India. Univ Delhi, Delhi 110007, India. Tata Inst Fundamental Res, Bombay 400005, Maharashtra, India. Univ Coll Dublin, Dublin 2, Ireland. Korea Univ, Korea Detector Lab, Seoul 136701, South Korea. CINVESTAV, Mexico City 14000, DF, Mexico. FOM, Inst NIKHEF, NL-1098 SJ Amsterdam, Netherlands. Univ Amsterdam, NIKHEF, Amsterdam, Netherlands. Univ Nijmegen, NIKHEF, Nijmegen, Netherlands. Inst Theoret & Expt Phys, Moscow 117259, Russia. Moscow MV Lomonosov State Univ, Moscow, Russia. Inst High Energy Phys, Protvino, Russia. Petersburg Nucl Phys Inst, St Petersburg, Russia. Lund Univ, Lund, Sweden. Royal Inst Technol, Stockholm, Sweden. Stockholm Univ, S-10691 Stockholm, Sweden. Uppsala Univ, Uppsala, Sweden. Univ Lancaster, Lancaster, England. Univ London Imperial Coll Sci Technol & Med, London, England. Univ Manchester, Manchester, Lancs, England. Univ Arizona, Tucson, AZ 85721 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Calif State Univ Fresno, Fresno, CA 93740 USA. Univ Calif Riverside, Riverside, CA 92521 USA. Florida State Univ, Tallahassee, FL 32306 USA. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Univ Illinois, Chicago, IL 60607 USA. No Illinois Univ, De Kalb, IL 60115 USA. Northwestern Univ, Evanston, IL 60208 USA. Indiana Univ, Bloomington, IN 47405 USA. Univ Notre Dame, Notre Dame, IN 46556 USA. Iowa State Univ, Ames, IA 50011 USA. Univ Kansas, Lawrence, KS 66045 USA. Kansas State Univ, Manhattan, KS 66506 USA. Louisiana Tech Univ, Ruston, LA 71272 USA. Univ Maryland, College Pk, MD 20742 USA. Boston Univ, Boston, MA 02215 USA. Northeastern Univ, Boston, MA 02115 USA. Univ Michigan, Ann Arbor, MI 48109 USA. Michigan State Univ, E Lansing, MI 48824 USA. Univ Mississippi, University, MS 38677 USA. Univ Nebraska, Lincoln, NE 68588 USA. Princeton Univ, Princeton, NJ 08544 USA. Columbia Univ, New York, NY 10027 USA. Univ Rochester, Rochester, NY 14627 USA. SUNY Stony Brook, Stony Brook, NY 11794 USA. Brookhaven Natl Lab, Upton, NY 11973 USA. Langston Univ, Langston, OK 73050 USA. Univ Oklahoma, Norman, OK 73019 USA. Brown Univ, Providence, RI 02912 USA. Univ Texas, Arlington, TX 76019 USA. So Methodist Univ, Dallas, TX 75275 USA. Rice Univ, Houston, TX 77005 USA. Univ Virginia, Charlottesville, VA 22901 USA. Univ Washington, Seattle, WA 98195 USA. RP Abazov, VM (reprint author), Joint Inst Nucl Res, Dubna, Russia. RI Deliot, Frederic/F-3321-2014; Sharyy, Viatcheslav/F-9057-2014; Yip, Kin/D-6860-2013; Nomerotski, Andrei/A-5169-2010; Merkin, Mikhail/D-6809-2012; Sznajder, Andre/L-1621-2016; Telford, Paul/B-6253-2011; Bargassa, Pedrame/O-2417-2016; Fisher, Wade/N-4491-2013; Oguri, Vitor/B-5403-2013; Shivpuri, R K/A-5848-2010; Gutierrez, Phillip/C-1161-2011; Dudko, Lev/D-7127-2012; Leflat, Alexander/D-7284-2012; Novaes, Sergio/D-3532-2012; Kuleshov, Sergey/D-9940-2013; De, Kaushik/N-1953-2013 OI Sharyy, Viatcheslav/0000-0002-7161-2616; Yip, Kin/0000-0002-8576-4311; Sznajder, Andre/0000-0001-6998-1108; Bargassa, Pedrame/0000-0001-8612-3332; Bean, Alice/0000-0001-5967-8674; Fatakia, Sarosh/0000-0003-0430-3191; Bertram, Iain/0000-0003-4073-4941; Dudko, Lev/0000-0002-4462-3192; Novaes, Sergio/0000-0003-0471-8549; Kuleshov, Sergey/0000-0002-3065-326X; De, Kaushik/0000-0002-5647-4489 NR 14 TC 6 Z9 6 U1 0 U2 1 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 22 PY 2005 VL 94 IS 15 AR 152002 DI 10.1103/PhysRevLett.94.152002 PG 7 WC Physics, Multidisciplinary SC Physics GA 919QL UT WOS:000228632500013 PM 15904135 ER PT J AU Ding, HF Schmid, AK Li, DQ Guslienko, KY Bader, SD AF Ding, HF Schmid, AK Li, DQ Guslienko, KY Bader, SD TI Magnetic bistability of Co nanodots SO PHYSICAL REVIEW LETTERS LA English DT Article ID SINGLE-DOMAIN; VORTEX STATE; EPITAXIAL CO; DOTS; FIELD AB Size-dependent magnetic single-domain versus vortex state stability of Co/Ru(0001) nanodots is explored with spin-polarized low-energy electron microscopy, analytical modeling, and micromagnetic simulations. We show that both single-domain and vortex states can be stabilized in a broad region near the phase boundary. The calculated width of the bistability region and temperature dependent heights of the energy barriers between both states agree well with our experimental findings. C1 Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Ding, HF (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. RI Bader, Samuel/A-2995-2013; Ding, haifeng/B-4221-2010 OI Ding, haifeng/0000-0001-7524-0779 NR 21 TC 70 Z9 70 U1 2 U2 23 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 22 PY 2005 VL 94 IS 15 AR 157202 DI 10.1103/PhysRevLett.94.157202 PG 4 WC Physics, Multidisciplinary SC Physics GA 919QL UT WOS:000228632500058 PM 15904180 ER PT J AU Dobrescu, BA AF Dobrescu, BA TI Massless gauge bosons other than the photon SO PHYSICAL REVIEW LETTERS LA English DT Article ID PARTICLES; CHARGE; WMAP; BBN AB Gauge bosons associated with unbroken gauge symmetries, under which all standard model fields are singlets, may interact with ordinary matter via higher-dimensional operators. A complete set of dimension-six operators involving a massless U(1) field, gamma', and standard model fields is presented. The mu -> e gamma' decay, primordial nucleosynthesis, star cooling, and other phenomena set lower limits on the scale of chirality-flip operators in the 1-15 TeV range if the operators have coefficients given by the corresponding Yukawa couplings. Simple renormalizable models induce gamma' interactions with leptons or quarks at two loops, and may provide a cold dark matter candidate. C1 Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Dobrescu, BA (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. NR 14 TC 45 Z9 45 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 22 PY 2005 VL 94 IS 15 AR 151802 DI 10.1103/PhysRevLett.94.151802 PG 4 WC Physics, Multidisciplinary SC Physics GA 919QL UT WOS:000228632500011 PM 15904133 ER PT J AU Dzero, M Schmalian, J AF Dzero, M Schmalian, J TI Superconductivity in charge Kondo systems SO PHYSICAL REVIEW LETTERS LA English DT Article ID IMPURITIES; MODEL; ANDERSON; EXCITON; ALLOYS; METALS; STATES AB We present a theory for superconductivity and charge Kondo fluctuations, i.e., resonant quantum valence fluctuations by two charge units, for Tl-doped PbTe. We show that Tl is very special as it first supplies a certain amount of charge carriers to the PbTe-valence band and then puts itself into a self-tuned resonant state to yield a new, robust pairing mechanism for these carriers. C1 Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. Iowa State Univ, Ames Lab, Ames, IA 50011 USA. RP Dzero, M (reprint author), Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. RI Schmalian, Joerg/H-2313-2011 NR 25 TC 44 Z9 44 U1 1 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 22 PY 2005 VL 94 IS 15 AR 157003 DI 10.1103/PhysRevLett.94.157003 PG 4 WC Physics, Multidisciplinary SC Physics GA 919QL UT WOS:000228632500054 PM 15904176 ER PT J AU Gleiser, M Howell, RC AF Gleiser, M Howell, RC TI Resonant nucleation SO PHYSICAL REVIEW LETTERS LA English DT Article ID FALSE VACUUM; FINITE-TEMPERATURE; METASTABLE STATES; FIELD-THEORY; 2 DIMENSIONS; DECAY; CONFIGURATIONS; OSCILLONS; RATES; FATE AB We investigate the role played by fast quenching on the decay of metastable (or false vacuum) states. Instead of the exponentially slow decay rate per unit volume, Gamma(HN)similar to exp[-E-b/k(B)T] (E-b is the free energy of the critical bubble), predicted by homogeneous nucleation theory, we show that under fast enough quenching the decay rate is a power law Gamma(RN)similar to[E-b/k(B)T](-B), where B is weakly sensitive to the temperature. For a range of parameters, large-amplitude oscillations about the metastable state trigger the resonant emergence of coherent subcritical configurations. Decay mechanisms for different E-b are proposed and illustrated in a (2+1)-dimensional scalar field model. C1 Dartmouth Coll, Dept Phys & Astron, Hanover, NH 03755 USA. Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. RP Gleiser, M (reprint author), Dartmouth Coll, Dept Phys & Astron, Hanover, NH 03755 USA. EM gleiser@dartmouth.edu; rhowell@lanl.gov NR 33 TC 24 Z9 24 U1 0 U2 1 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 22 PY 2005 VL 94 IS 15 AR 151601 DI 10.1103/PhysRevLett.94.151601 PG 4 WC Physics, Multidisciplinary SC Physics GA 919QL UT WOS:000228632500007 PM 15904129 ER PT J AU Griffin, KA Pakhomov, AB Wang, CM Heald, SM Krishnan, KM AF Griffin, KA Pakhomov, AB Wang, CM Heald, SM Krishnan, KM TI Intrinsic ferromagnetism in insulating cobalt doped anatase TiO2 SO PHYSICAL REVIEW LETTERS LA English DT Article ID ROOM-TEMPERATURE FERROMAGNETISM; DILUTED MAGNETIC SEMICONDUCTOR; EPITAXIAL-GROWTH; FILMS; EXCHANGE AB Using complementary experiments we show that the room temperature ferromagnetism observed in anatase CoTiO2 films is not carrier mediated, but coexists with the dielectric state. TEM and x-ray absorption spectroscopy reveal a solid solution of Co in anatase, where Co is not metallic but in the +2 state substituting for Ti. Measurements at 300 K yield a M-S of 1.1 mu(B)/Co atom, while all films are highly insulating. The evidence of intrinsic ferromagnetism in the dielectric ground state of CoTiO2 leads to new considerations for the origin of ferromagnetism in transition metal doped oxides. C1 Univ Washington, Dept Mat Sci & Engn, Seattle, WA 98195 USA. Pacific NW Natl Lab, Fundamental Sci Div, Richland, WA 99352 USA. RP Univ Washington, Dept Mat Sci & Engn, Seattle, WA 98195 USA. EM kannanmk@u.washington.edu NR 32 TC 253 Z9 259 U1 9 U2 69 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 22 PY 2005 VL 94 IS 15 AR 157204 DI 10.1103/PhysRevLett.94.157204 PG 4 WC Physics, Multidisciplinary SC Physics GA 919QL UT WOS:000228632500060 PM 15904182 ER PT J AU Ma, YZ Valkunas, L Dexheimer, SL Bachilo, SM Fleming, GR AF Ma, YZ Valkunas, L Dexheimer, SL Bachilo, SM Fleming, GR TI Femtosecond spectroscopy of optical excitations in single-walled carbon nanotubes: Evidence for exciton-exciton annihilation SO PHYSICAL REVIEW LETTERS LA English DT Article ID ULTRAFAST CARRIER DYNAMICS; FLUORESCENCE; SPECTRA AB Frequency-resolved femtosecond transient absorption spectra and kinetics measured by optical excitation of the second and first electronic transitions of the (8,3) single-walled carbon nanotube species reveal a unique mutual response between these transitions. Based on the analysis of the spectra, kinetics, and their distinct amplitude dependence on the pump intensity observed at these transitions, we conclude that these observations originate from both the excitonic origin of the spectrum and nonlinear exciton annihilation. C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. Inst Phys, LT-02300 Vilnius, Lithuania. Vilnius State Univ, Fac Phys, Dept Theoret Phys, LT-10222 Vilnius, Lithuania. Rice Univ, Dept Chem, Houston, TX 77005 USA. Rice Univ, Ctr Biol & Environm Nanotechnol, Houston, TX 77005 USA. Washington State Univ, Dept Phys, Pullman, WA 99164 USA. RP Ma, YZ (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. RI Ma, Yingzhong/L-6261-2016 OI Ma, Yingzhong/0000-0002-8154-1006 NR 21 TC 157 Z9 157 U1 1 U2 46 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 22 PY 2005 VL 94 IS 15 AR 157402 DI 10.1103/PhysRevLett.94.157402 PG 4 WC Physics, Multidisciplinary SC Physics GA 919QL UT WOS:000228632500064 PM 15904186 ER PT J AU Mo, Y Varga, K Kaxiras, E Zhang, ZY AF Mo, Y Varga, K Kaxiras, E Zhang, ZY TI Kinetic pathway for the formation of Fe nanowires on stepped Cu(111) surfaces SO PHYSICAL REVIEW LETTERS LA English DT Article ID AUGMENTED-WAVE METHOD; ULTRASOFT PSEUDOPOTENTIALS; MAGNETIC NANOSTRUCTURES; METAL-SURFACES; GROWTH; ENERGIES; CHAINS; SPIN AB We report the discovery of a novel kinetic pathway for the formation of one-dimensional Fe nanowires of single atom width on stepped Cu(111) surfaces. This pathway, identified through extensive total-energy calculations within density functional theory, establishes that the stable structure involves a row of Fe atoms on the upper edge of a step. The formation of the surface wire is preceded by facile incorporation of an initial row of Fe atoms into the surface layer at one lateral lattice constant away from the step edge, which then acts as an attractor for the second exposed row of atoms. The resulting wire structure provides a natural interpretation of existing experimental results. We also explore the applicability of this mechanism in the formation of other related systems. C1 Harvard Univ, Dept Phys, Cambridge, MA 02138 USA. Univ Tennessee, Dept Phys, Knoxville, TN 37996 USA. Harvard Univ, Div Engn & Appl Sci, Cambridge, MA 02138 USA. Oak Ridge Natl Lab, Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. RP Mo, Y (reprint author), Harvard Univ, Dept Phys, Cambridge, MA 02138 USA. NR 28 TC 32 Z9 33 U1 3 U2 14 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 22 PY 2005 VL 94 IS 15 AR 155503 DI 10.1103/PhysRevLett.94.155503 PG 4 WC Physics, Multidisciplinary SC Physics GA 919QL UT WOS:000228632500037 PM 15904159 ER PT J AU Zhao, YF Kim, YH Dillon, AC Heben, MJ Zhang, SB AF Zhao, YF Kim, YH Dillon, AC Heben, MJ Zhang, SB TI Hydrogen storage in novel organometallic buckyballs SO PHYSICAL REVIEW LETTERS LA English DT Article ID GENERALIZED GRADIENT APPROXIMATION; WALLED CARBON NANOTUBES; METAL; MOLECULES; HYDRIDES; ATOMS AB Transition metal (TM) atoms bound to fullerenes are proposed as adsorbents for high density, room temperature, ambient pressure storage of hydrogen. C-60 or C48B12 disperses TMs by charge transfer interactions to produce stable organometallic buckyballs (OBBs). A particular scandium OBB can bind as many as 11 hydrogen atoms per TM, ten of which are in the form of dihydrogen that can be adsorbed and desorbed reversibly. In this case, the calculated binding energy is about 0.3 eV/H-2, which is ideal for use on board vehicles. The theoretical maximum retrievable H-2 storage density is similar to 9 wt%. C1 Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Zhao, YF (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. RI Kim, Yong-Hyun/C-2045-2011; Krausnick, Jennifer/D-6291-2013; Zhang, Shengbai/D-4885-2013 OI Kim, Yong-Hyun/0000-0003-4255-2068; Zhang, Shengbai/0000-0003-0833-5860 NR 20 TC 478 Z9 488 U1 5 U2 73 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 22 PY 2005 VL 94 IS 15 AR 155504 DI 10.1103/PhysRevLett.94.155504 PG 4 WC Physics, Multidisciplinary SC Physics GA 919QL UT WOS:000228632500038 PM 15904160 ER PT J AU Tringe, SG von Mering, C Kobayashi, A Salamov, AA Chen, K Chang, HW Podar, M Short, JM Mathur, EJ Detter, JC Bork, P Hugenholtz, P Rubin, EM AF Tringe, SG von Mering, C Kobayashi, A Salamov, AA Chen, K Chang, HW Podar, M Short, JM Mathur, EJ Detter, JC Bork, P Hugenholtz, P Rubin, EM TI Comparative metagenomics of microbial communities SO SCIENCE LA English DT Article ID GENOME; SOIL; SEA; DIVERSITY; RESOURCE; DATABASE; ARCHAEA; GENES AB The species complexity of microbial communities and challenges in culturing representative isolates make it difficult to obtain assembled genomes. Here we characterize and compare the metabolic capabilities of terrestrial and marine microbial communities using largely unassembled sequence data obtained by shotgun sequencing DNA isolated from the various environments. Quantitative gene content analysis reveals habitat-specific fingerprints that reflect known characteristics of the sampled environments. The identification of environment-specific genes through a gene-centric comparative analysis presents new opportunities for interpreting and diagnosing environments. C1 US DOE, Joint Genome Inst, Walnut Creek, CA 94598 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Genom Div, Berkeley, CA 94720 USA. European Mol Biol Lab, D-69117 Heidelberg, Germany. Univ Calif Berkeley, Dept Elect Engn & Comp Sci, Berkeley, CA 94720 USA. Diversa Corp, San Diego, CA 92121 USA. RP Rubin, EM (reprint author), US DOE, Joint Genome Inst, 2800 Mitchell Dr, Walnut Creek, CA 94598 USA. EM emrubin@lbl.gov RI von Mering, Christian/B-3300-2008; Ducey, Thomas/A-6493-2011; Hugenholtz, Philip/G-9608-2011; Bork, Peer/F-1813-2013; OI von Mering, Christian/0000-0001-7734-9102; Bork, Peer/0000-0002-2627-833X; Tringe, Susannah/0000-0001-6479-8427; Podar, Mircea/0000-0003-2776-0205; hugenholtz, philip/0000-0001-5386-7925 NR 21 TC 852 Z9 905 U1 45 U2 359 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 22 PY 2005 VL 308 IS 5721 BP 554 EP 557 DI 10.1126/science.1107851 PG 4 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 922BK UT WOS:000228810500053 PM 15845853 ER PT J AU Niesz, K Yang, PD Somorjai, GA AF Niesz, K Yang, PD Somorjai, GA TI Sol-gel synthesis of ordered mesoporous alumina SO CHEMICAL COMMUNICATIONS LA English DT Article ID MOLECULAR-SIEVES; METAL-OXIDES; DESIGN AB Well-ordered mesoporous alumina materials with high surface area and a narrow pore size distribution were synthesized using a sol-gel based self assembly technique. 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@cchem.berkeley.edu NR 14 TC 165 Z9 165 U1 13 U2 102 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 2005 IS 15 BP 1986 EP 1987 DI 10.1039/b419249d PG 2 WC Chemistry, Multidisciplinary SC Chemistry GA 922EB UT WOS:000228818100019 PM 15834480 ER PT J AU Klein, SA Pincus, R Hannay, C Xu, KM AF Klein, SA Pincus, R Hannay, C Xu, KM TI How might a statistical cloud scheme be coupled to a mass-flux convection scheme? SO JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES LA English DT Article ID SUBGRID-SCALE VARIABILITY; PLANETARY BOUNDARY-LAYER; CUMULUS CONVECTION; RESOLVING MODEL; PART I; PARAMETERIZATION; ENSEMBLE; IOP AB The coupling of statistical cloud schemes with mass-flux convection schemes is addressed. Source terms representing the impact of convection are derived within the framework of prognostic equations for the width and asymmetry of the probability distribution function of total water mixing ratio. The accuracy of these source terms is quantified by examining output from a cloud-resolving model simulation of deep convection. Practical suggestions for the inclusion of these source terms in large-scale models are offered. C1 NOAA, Geophys Fluid Dynam Lab, Princeton, NJ USA. Univ Colorado, Climate Diagnost Ctr, NOAA, Cooperat Inst Res Environm Sci, Boulder, CO 80309 USA. NASA, Langley Res Ctr, Hampton, VA 23681 USA. RP Klein, SA (reprint author), Lawrence Livermore Natl Lab, Atmospher Sci Div L103, Livermore, CA 94551 USA. EM klein21@llnl.gov RI Xu, Kuan-Man/B-7557-2013; Pincus, Robert/B-1723-2013; Klein, Stephen/H-4337-2016 OI Xu, Kuan-Man/0000-0001-7851-2629; Pincus, Robert/0000-0002-0016-3470; Klein, Stephen/0000-0002-5476-858X NR 23 TC 8 Z9 8 U1 2 U2 6 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 21 PY 2005 VL 110 IS D15 AR D15S06 DI 10.1029/2004JD005017 PG 10 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 922QN UT WOS:000228853000001 ER PT J AU Xu, KM Zhang, MH Eitzen, MA Ghan, SJ Klein, SA Wu, XQ Xie, SC Branson, M Del Genio, AD Iacobellis, SF Khairoutdinov, M Lin, WY Lohmann, U Randall, DA Somerville, RCJ Sud, YC Walker, GK Wolf, A Yio, JJ Zhang, JH AF Xu, KM Zhang, MH Eitzen, MA Ghan, SJ Klein, SA Wu, XQ Xie, SC Branson, M Del Genio, AD Iacobellis, SF Khairoutdinov, M Lin, WY Lohmann, U Randall, DA Somerville, RCJ Sud, YC Walker, GK Wolf, A Yio, JJ Zhang, JH TI Modeling springtime shallow frontal clouds with cloud-resolving and single-column models SO JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES LA English DT Article ID LARGE-SCALE MODELS; GENERAL-CIRCULATION MODEL; RADIATION MEASUREMENT PROGRAM; CLIMATE MODELS; TOGA-COARE; MICROPHYSICAL PROCESSES; NUMERICAL-SIMULATION; STRATIFORM CLOUDS; WATER-CONTENT; GCSS MODEL AB This modeling study compares the performance of eight single-column models (SCMs) and four cloud-resolving models (CRMs) in simulating shallow frontal cloud systems observed during a short period of the March 2000 Atmospheric Radiation Measurement (ARM) intensive operational period. Except for the passage of a cold front at the beginning of this period, frontal cloud systems are under the influence of an upper tropospheric ridge and are driven by a persistent frontogenesis over the Southern Great Plains and moisture transport from the northwestern part of the Gulf of Mexico. This study emphasizes quantitative comparisons among the model simulations and with the ARM data, focusing on a 27-hour period when only shallow frontal clouds were observed. All CRMs and SCMs simulate clouds in the observed shallow cloud layer. Most SCMs also produce clouds in the middle and upper troposphere, while none of the CRMs produce any clouds there. One possible cause for this is the decoupling between cloud condensate and cloud fraction in nearly all SCM parameterizations. Another possible cause is the weak upper tropospheric subsidence that has been averaged over both descending and ascending regions. Significantly different cloud amounts and cloud microphysical properties are found in the model simulations. All CRMs and most SCMs underestimate shallow clouds in the lowest 125 hPa near the surface, but most SCMs overestimate the cloud amount above this layer. These results are related to the detailed formulations of cloud microphysical processes and fractional cloud parameterizations in the SCMs, and possibly to the dynamical framework and two-dimensional configuration of the CRMs. Although two of the CRMs with anelastic dynamical frameworks simulate the shallow frontal clouds much better than the SCMs, the CRMs do not necessarily perform much better than the SCMs for the entire period when deep and shallow frontal clouds are present. C1 NASA, Climate Sci Branch, Langley Res Ctr, Hampton, VA 23681 USA. SUNY Stony Brook, Marine Sci Res Ctr, Inst Terr & Planetary Atmospheres, Stony Brook, NY 11794 USA. Sci Applicat Int Corp, Hampton, VA USA. Pacific NW Natl Lab, Div Atmospher Sci, Richland, WA 99352 USA. Princeton Univ, NOAA, Geophys Fluid Dynam Lab, Princeton, NJ 08544 USA. Iowa State Univ, Dept Geol & Atmospher Sci, Ames, IA 50011 USA. Lawrence Livermore Natl Lab, Atmospher Sci Div L103, Livermore, CA 94551 USA. Colorado State Univ, Dept Atmospher Sci, Ft Collins, CO 80523 USA. NASA, Goddard Inst Space Studies, New York, NY 10025 USA. Univ Calif San Diego, Scripps Inst Oceanog, La Jolla, CA 92093 USA. Dalhousie Univ, Dept Phys & Atmospher Sci, Halifax, NS B3H 3C3, Canada. NASA, Climate & Radiat Branch, Atmospheres Lab, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. RP Xu, KM (reprint author), NASA, Climate Sci Branch, Langley Res Ctr, Mail Stop 420, Hampton, VA 23681 USA. EM kuan-man.xu@nasa.gov; mzhang@notes.cc.sunysb.edu; z.a.eitzen@larc.nasa.gov; steve.ghan@pnl.gov; klein21@llnl.gov; xie2@llnl.gov; mark@atmos.colostate.edu; adelgenio@giss.nasa.gov; siacobellis@ucsd.edu; marat@atmos.colostate.edu; wlin@atmsci.msrc.sunysb.edu; randall@atmos.colostate.edu; rsomerville@ucsd.edu; awolf@thelma.giss.nasa.gov; yio1@llnl.gov RI Del Genio, Anthony/D-4663-2012; Xu, Kuan-Man/B-7557-2013; Xie, Shaocheng/D-2207-2013; Wu, Xiangqian/F-5634-2010; Randall, David/E-6113-2011; Ghan, Steven/H-4301-2011; Klein, Stephen/H-4337-2016; Lohmann, Ulrike/B-6153-2009 OI Del Genio, Anthony/0000-0001-7450-1359; Xu, Kuan-Man/0000-0001-7851-2629; Xie, Shaocheng/0000-0001-8931-5145; Wu, Xiangqian/0000-0002-7804-5650; Randall, David/0000-0001-6935-4112; Ghan, Steven/0000-0001-8355-8699; Klein, Stephen/0000-0002-5476-858X; Lohmann, Ulrike/0000-0001-8885-3785 NR 56 TC 29 Z9 29 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 21 PY 2005 VL 110 IS D15 AR D15S04 DI 10.1029/2004JD005153 PG 26 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 922QN UT WOS:000228853000002 ER PT J AU Zinn, J Drummond, J AF Zinn, J Drummond, J TI Observations of persistent Leonid meteor trails: 4. Buoyant rise/vortex formation as mechanism for creation of parallel meteor train pairs SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS LA English DT Article ID SODIUM AB [ 1] In this paper we present numerical computations designed to demonstrate effects associated with the buoyant rise of persistent trails produced by large Leonid meteors in cases where the meteor velocity vector has a large horizontal component. We model the meteor trail as a hot cylindrical volume in an equilibrium atmosphere. The computed results show the hot cylinder first expanding radially and then rising because of buoyancy, while evolving into a pair of counterrotating linear vortices. These line vortex phenomena are offered as an explanation for the otherwise mysterious parallel pairs of trails that are often observed. We also show some high-resolution images of double meteor trails observed during the high Leonid meteor activity of 1998 - 2002. For the case of the Diamond Ring event we compare computed and measured luminosity profiles for the sodium 589 nm emission and for the red-near IR O-2 atmospheric band (O-2(b(1)&USigma;(+)(g)) O-2( X-3&USigma;(-)(g))) emission. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. USAF, Directed Energy Directorate, Res Lab, Kirtland AFB, NM 87117 USA. RP Zinn, J (reprint author), Los Alamos Natl Lab, MS D-466, Los Alamos, NM 87545 USA. EM jzinn@lanl.gov; jack.drummond@kirtland.af.mil NR 16 TC 8 Z9 8 U1 0 U2 1 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 21 PY 2005 VL 110 IS A4 AR A04306 DI 10.1029/2004JA010575 PG 15 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 922RP UT WOS:000228855900001 ER PT J AU Barber, J Hooks, DE Funk, DJ Averitt, RD Taylor, AJ Babikov, D AF Barber, J Hooks, DE Funk, DJ Averitt, RD Taylor, AJ Babikov, D TI Temperature-dependent far-infrared spectra of single crystals of high explosives using terahertz time-domain spectroscopy SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID PENTAERYTHRITOL TETRANITRATE AB Survey spectra of single-crystal HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-teti-azocine), RDX (hexahydro1,3,5-trinitro-1,3,5-triazine), and PETN (pentaerythritol tetranitrate) were acquired in the region from 10 to 80 cm(-1) using terahertz time-domain spectroscopy. The spectra were taken at temperatures ranging from 8.4 to 300 K. Generally, the spectra show multiple absorption peaks in the range 50-80 cm(-1), with PETN (110) showing strong absorption features at room temperature. RDX (210) is the most notable in the region 10-40 cm(-1), showing multiple spectral features, while HMX (0 10) shows a very broad absorption at 47.8 cm(-1) with a fwhm of 37.3 cm(-1). Future plans include polarization-dependent investigations for multiple crystallographic orientations over an increased spectral range and higher-level theoretical calculations. C1 Los Alamos Natl Lab, DX Div, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, MST Div, Los Alamos, NM 87545 USA. Marquette Univ, Dept Chem, Milwaukee, WI 53201 USA. RP Funk, DJ (reprint author), Los Alamos Natl Lab, DX Div, Los Alamos, NM 87545 USA. EM djf@lanl.gov NR 13 TC 68 Z9 72 U1 3 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 21 PY 2005 VL 109 IS 15 BP 3501 EP 3505 DI 10.1021/jp044384h PG 5 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 916SZ UT WOS:000228407700030 PM 16833688 ER PT J AU Yu, R Song, H Zhang, XF Yang, PD AF Yu, R Song, H Zhang, XF Yang, PD TI Thermal wetting of platinum nanocrystals on silica surface SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Letter ID CATALYSTS; GOLD; STABILITY; ADHESION AB Thermal stability of facetted Pt nanocrystals on amorphous silica support films was investigated using in situ transmission electron microscopy in a temperature range between 25 and 800 degrees C. The particles started to change their shapes at similar to 350 degrees C. Above 500 degrees C, the particles spread on the support film with increasing temperature, rather than becoming more spherical. Such temperature-induced wetting of Pt nanoparticles on silica surface can be attributed to the interfacial mixing of Pt and SiO2 and the resulting negative interface energy. C1 Lawrence Berkeley Natl Lab, Div Sci Mat, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. RP Yang, PD (reprint author), Lawrence Berkeley Natl Lab, Div Sci Mat, Berkeley, CA 94720 USA. EM p_yang@berkeley.edu RI Yu, Rong/A-3011-2008; Song, Hyunjoon/C-1638-2011 OI Yu, Rong/0000-0003-1687-3597; Song, Hyunjoon/0000-0002-1565-5697 NR 24 TC 53 Z9 53 U1 1 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 21 PY 2005 VL 109 IS 15 BP 6940 EP 6943 DI 10.1021/jp050973r PG 4 WC Chemistry, Physical SC Chemistry GA 916XE UT WOS:000228419100007 PM 16851785 ER PT J AU Chaudhuri, S Muckerman, JT AF Chaudhuri, S Muckerman, JT TI First-principles study of Ti-catalyzed hydrogen chemisorption on an Al surface: A critical first step for reversible hydrogen storage in NaAlH4 SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Letter ID SODIUM ALUMINUM-HYDRIDE; DESORPTION-KINETICS; DISSOCIATION; FUNCTIONALS; ADSORPTION; MOLECULES; ALANATE; GROWTH; FILMS AB Complex metal hydrides are perhaps the most promising hydrogen storage materials for a gradual transformation to a hydrogen-based economy. We have used a computational approach to aid the ongoing experimental effort to understand the reversible hydrogen storage in Ti-doped NaAlH4 and propose a plausible first step in the rehydrogenation mechanism. The study provides insight into the catalytic role played by the Ti atoms on an Al surface in the chemisorption of molecular hydrogen and identifies the local arrangement of the Ti atoms responsible for the process. Our results can potentially lead to ways of making other similar metal hydrides reversible. C1 Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Muckerman, JT (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. EM muckerma@bnl.gov RI Muckerman, James/D-8752-2013 NR 23 TC 101 Z9 102 U1 1 U2 16 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 21 PY 2005 VL 109 IS 15 BP 6952 EP 6957 DI 10.1021/jp050558z PG 6 WC Chemistry, Physical SC Chemistry GA 916XE UT WOS:000228419100010 PM 16851788 ER PT J AU Cappa, CD Smith, JD Wilson, KR Messer, BM Gilles, MK Cohen, RC Saykally, RJ AF Cappa, CD Smith, JD Wilson, KR Messer, BM Gilles, MK Cohen, RC Saykally, RJ TI Effects of alkali metal halide salts on the hydrogen bond network of liquid water SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID RAY-ABSORPTION SPECTRA; EUV SYNCHROTRON-RADIATION; MOLECULAR-DYNAMICS; RAMAN-SPECTROSCOPY; IONS; EDGE; PHOTOEMISSION; SOLVATION; MICROJETS; HYDRATION AB Measurements of the oxygen K-edge X-ray absorption spectrum (XAS) of aqueous sodium halide solutions demonstrate that ions significantly perturb the electronic structure of adjacent water molecules. The addition of halide salts to water engenders an increase in the preedge intensity and a decrease in the postedge intensity of the XAS, analogous to those observed when increasing the temperature of pure water. The main-edge feature exhibits unique behavior and becomes more intense when salt is added. Density functional theory calculations of the XAS indicate that the observed red shift of the water transitions as a function of salt concentration arises from a strong, direct perturbation of the unoccupied molecular orbitals on water by anions, and does not require significant distortion of the hydrogen bond network beyond the first solvation shell. This contrasts the temperature-dependent spectral variations, which result primarily from intensity changes of specific transitions due to geometric rearrangement of the hydrogen bond network. C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Saykally, RJ (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. RI Cohen, Ronald/A-8842-2011 OI Cohen, Ronald/0000-0001-6617-7691 NR 29 TC 107 Z9 107 U1 6 U2 36 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 21 PY 2005 VL 109 IS 15 BP 7046 EP 7052 DI 10.1021/jp0445324 PG 7 WC Chemistry, Physical SC Chemistry GA 916XE UT WOS:000228419100023 PM 16851801 ER PT J AU Yu, PR Beard, MC Ellingson, RJ Ferrere, S Curtis, C Drexler, J Luiszer, F Nozik, AJ AF Yu, PR Beard, MC Ellingson, RJ Ferrere, S Curtis, C Drexler, J Luiszer, F Nozik, AJ TI Absorption cross-section and related optical properties of colloidal InAs quantum dots SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID EXTINCTION COEFFICIENT; NANOCRYSTALS; CDSE; DEPENDENCE; ELECTRON; DYNAMICS; CDTE AB We report the absorption cross-section of colloidal InAs quantum dots of mean radii from 1.6 to 3.45 nm. We find excellent agreement between the measured results and calculated values based on a model of small-particle light absorption. The absorption cross-section per dot is 6.2 x 10(-16)R(3) cm(2) at 2.76 eV and 3.15 x 10(-16)R(1.28) cm(2) at the first-exciton absorption peak, with the dot radius R in nm. We find that the per-quantum-dot particle oscillator strength of the first-exciton transition is constant for all sizes studied. The radiative lifetime of the first exciton calculated from the oscillator strength increases with dot size and ranges from 4 ns for the smallest dots to 14 ns for the largest ones. C1 Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA. Univ Colorado, Dept Geol Sci, Boulder, CO 80309 USA. Natl Renewable Energy Lab, Ctr Basic Sci, Golden, CO 80401 USA. RP Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA. EM pingrong_yu@nrel.gov; anozik@nrel.gov RI Ellingson, Randy/H-3424-2013; Nozik, Arthur/A-1481-2012; Nozik, Arthur/P-2641-2016; OI BEARD, MATTHEW/0000-0002-2711-1355 NR 22 TC 79 Z9 79 U1 0 U2 49 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 21 PY 2005 VL 109 IS 15 BP 7084 EP 7087 DI 10.1021/jp046127i PG 4 WC Chemistry, Physical SC Chemistry GA 916XE UT WOS:000228419100028 PM 16851806 ER PT J AU Szanyi, J Kwak, JH Hanson, J Wang, CM Szailer, T Peden, CHF AF Szanyi, J Kwak, JH Hanson, J Wang, CM Szailer, T Peden, CHF TI Changing morphology of BaO/Al2O3 during NO2 uptake and release SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID FT-IR; STORAGE; CATALYSTS; ADSORPTION; PT/BAO/AL2O3; REDUCTION; NITRATE; BAO AB The changes in the morphology of Ba-oxide-based NOx storage/reduction catalysts were investigated using time-resolved X-ray diffraction, transmission electron microscopy, and energy dispersed spectroscopy. Large Ba(NO3)(2) crystallites form on the alumina support when the catalyst is prepared by the incipient wetness method using an aqueous Ba(NO3)(2) solution. Heating the sample to 873 K in a He flow results in the decomposition of the Ba(NO3)(2) phase and the formation of both a inonolayer BaO film strongly interacting with the alumina support and nanocrystalline BaO particles. Upon NO exposure of these BaO phases at room temperature, small (nanosized) Ba(NO3)(2) crystals and a monolayer of surface nitrate form. Heating this sample in NO2 results in the coalescence of the nanocrystalline Ba(NO3)(2) particles into large crystals. The average crystal size in the reformed Ba(NO3)(2) layer is significantly smaller than that measured after the catalyst preparation. Evidence is also presented for the existence of a monolayer Ba(NO3)(2) phase after thermal treatment in NO2, in addition to these large crystals. These results clearly demonstrate the dynamic nature of the Ba-containing phases that are active in the NOx storage/reduction process. The proposed morphology cycle may contribute to the understanding of the changes observed in the performances of these catalysts during actual operating conditions. C1 Pacific NW Natl Lab, Div Chem Sci, Richland, WA 99352 USA. Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Szanyi, J (reprint author), Pacific NW Natl Lab, Div Chem Sci, POB 999,MSIN K8-93, Richland, WA 99352 USA. EM janos.szanyi@pnl.gov RI Hanson, jonathan/E-3517-2010; Kwak, Ja Hun/J-4894-2014; OI Peden, Charles/0000-0001-6754-9928 NR 22 TC 69 Z9 69 U1 1 U2 16 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 21 PY 2005 VL 109 IS 15 BP 7339 EP 7344 DI 10.1021/jp044160z PG 6 WC Chemistry, Physical SC Chemistry GA 916XE UT WOS:000228419100062 PM 16851840 ER PT J AU Lubchenko, V Wolynes, PG Frauenfelder, H AF Lubchenko, V Wolynes, PG Frauenfelder, H TI Mosaic energy landscapes of liquids and the control of protein conformational dynamics by glass-forming solvents SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID HARD-SPHERE GLASS; SUPERCOOLED LIQUIDS; LIGAND-BINDING; TRANSITION; MYOGLOBIN; RELAXATIONS; KINETICS; CO AB Using recent advances in the Random First-Order Transition (RFOT) Theory of glass-forming liquids, we explain how the molecular motions of a glass-forming solvent distort the protein's boundary and slave some of the protein's conformational motions. Both the length and time scales of the solvent imposed constraints are provided by the RFOT theory. Comparison of the protein relaxation rate to that of the solvent provides an explicit lower bound on the size of the conformational space explored by the protein relaxation. Experimental measurements of slaving of myoglobin motions indicate that a major fraction of functionally important motions have significant entropic barriers. C1 Univ Calif San Diego, Dept Chem & Biochem, La Jolla, CA 92093 USA. Los Alamos Natl Lab, Div Theory, Los Alamos, NM 87545 USA. RP MIT, Dept Chem, 77 Massachusetts Ave, Cambridge, MA 02139 USA. EM vas@mit.edu FU PHS HHS [5R016M44557] NR 49 TC 55 Z9 55 U1 1 U2 12 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 21 PY 2005 VL 109 IS 15 BP 7488 EP 7499 DI 10.1021/jp045205z PG 12 WC Chemistry, Physical SC Chemistry GA 916XE UT WOS:000228419100082 PM 16851860 ER PT J AU Krot, AN Yurimoto, H Hutcheon, ID MacPherson, GJ AF Krot, AN Yurimoto, H Hutcheon, ID MacPherson, GJ TI Chronology of the early Solar System from chondrule-bearing calcium-aluminium-rich inclusions SO NATURE LA English DT Article ID REFRACTORY INCLUSIONS; FERROMAGNESIAN CHONDRULES; CONTEMPORANEOUS FORMATION; ISOTOPE EVIDENCE; NEBULA; EVAPORATION; CHONDRITES; GAS AB Chondrules and Ca-Al-rich inclusions (CAIs) are high-temperature components of meteorites that formed during transient heating events in the early Solar System. A major unresolved issue is the relative timing of CAI and chondrule formation(1-4). From the presence of chondrule fragments in an igneous CAI, it was concluded that some chondrules formed before CAIs (ref. 5). This conclusion is contrary to the presence of relict CAIs inside chondrules(6-10), as well as to the higher abundance of Al-26 in CAIs(11); both observations indicate that CAIs predate chondrules by 1-3 million years (Myr). Here we report that relict chondrule material in the Allende meteorite, composed of olivine and low-calcium pyroxene, occurs in the outer portions of two CAIs and is O-16-poor (Delta(17)O approximate to -1 parts per thousand to -5 parts per thousand). Spinel and diopside in the CAI cores are O-16-rich (Delta(17)O up to -20 parts per thousand), whereas diopside in their outer zones, as well as melilite and anorthite, are O-16-depleted (Delta(17)O = -8 parts per thousand to 2 parts per thousand). Both chondrule-bearing CAIs are Al-26-poor with initial Al-26/Al-27 ratios of (4.7 +/- 1.4) x 10(-6) and <1.2 x 10(-6). We conclude that these CAIs had chondrule material added to them during a re-melting episode similar to 2 Myr after formation of CAIs with the canonical Al-26/Al-27 ratio of 5 x 10(-5). C1 Univ Hawaii Manoa, Sch Ocean & Earth Sci & Technol, Hawaii Inst Geophys & Planetol, Honolulu, HI 96822 USA. Tokyo Inst Technol, Dept Earth & Planetary Sci, Meguro Ku, Tokyo 1528551, Japan. Lawrence Livermore Natl Lab, Inst Geophys & Planetary Phys, Livermore, CA 94451 USA. Lawrence Livermore Natl Lab, GT Seaborg Inst, Livermore, CA 94451 USA. Smithsonian Inst, Dept Mineral Sci, Washington, DC 20560 USA. RP Krot, AN (reprint author), Univ Hawaii Manoa, Sch Ocean & Earth Sci & Technol, Hawaii Inst Geophys & Planetol, Honolulu, HI 96822 USA. EM sasha@higp.hawaii.edu NR 29 TC 55 Z9 55 U1 2 U2 9 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 21 PY 2005 VL 434 IS 7036 BP 998 EP 1001 DI 10.1038/nature03470 PG 4 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 918EH UT WOS:000228524600032 PM 15846340 ER PT J AU Adams, J Adler, C Aggarwal, MM Ahammed, Z Amonett, J Anderson, BD Arkhipkin, D Averichev, GS Badyal, SK Balewski, J Barannikova, O Barnby, LS Baudot, J Bekele, S Belaga, VV Bellwied, R Berger, J Bezverkhny, BI Bhardwaj, S Bhati, AK Bichsel, H Billmeier, A Bland, LC Blyth, CO Bonner, BE Botje, M Boucham, A Brandin, A Bravar, A Cadman, RV Cai, XZ Caines, H Sanchez, MCD Carroll, J Castillo, J Cebra, D Chaloupka, P Chattopadhyay, S Chen, HF Chen, Y Chernenko, SP Cherney, M Chikanian, A Christie, W Coffin, JP Cormier, TM Cramer, JG Crawford, HJ Das, D Das, S Derevschikov, AA Didenko, L Dietel, T Dong, WJ Dong, X Draper, JE Du, F Dubey, AK Dunin, VB Dunlop, JC Majumdar, MRD Eckardt, V Efimov, LG Emelianov, V Engelage, J Eppley, G Erazmus, B Estienne, M Fachini, P Faine, V Faivre, J Fatemi, R Filimonov, K Filip, P Finch, E Fisyak, Y Flierl, D Foley, KJ Fu, J Gagliardi, CA Gagunashvili, N Gans, J Ganti, MS Gaudichet, L Germain, M Geurts, F Ghazikhanian, V Ghosh, P Gonzalez, JE Grachov, O Grebenyuk, O Gronstal, S Grosnick, D Guedon, M Guertin, SM Gupta, A Gutierrez, TD Hallman, TJ Hamed, A Hardtke, D Harris, JW Heinz, M Henry, TW Heppelmann, S Hippolyte, B Hirsch, A Hjort, E Hoffmann, GW Horsley, M Huang, HZ Huang, SL Hughes, E Humanic, TJ Igo, G Ishihara, A Jacobs, P Jacobs, WW Janik, M Jiang, H Johnson, I Jones, PG Judd, EG Kabana, S Kaplan, M Keane, D Khodyrev, VY Kiryluk, J Kisiel, A Klay, J Klein, SR Klyachko, A Koetke, DD Kollegger, T Kopytine, M Kotchenda, L Kovalenko, AD Kramer, M Kravtsov, P Kravtsov, VI Krueger, K Kuhn, C Kulikov, AI Kumar, A Kunde, GJ Kunz, CL Kutuev, RK Kuznetsov, AA Lamont, MAC Landgraf, JM Lange, S Lasiuk, B Laue, F Lauret, J Lebedev, A Lednicky, R LeVine, MJ Li, C Li, Q Lindenbaum, SJ Lisa, MA Liu, F Liu, L Liu, Z Liu, QJ Ljubicic, T Llope, WJ Long, H Longacre, RS Lopez-Noriega, M Love, WA Ludlam, T Lynn, D Ma, J Ma, YG Magestro, D Mahajan, S Mangotra, LK Mahapatra, DP Majka, R Manweiler, R Margetis, S Markert, C Martin, L Marx, J Matis, HS Matulenko, YA McClain, CJ Markert, C Martin, L Marx, J Matis, HS Matulenko, YA McClain, CJ McShane, TS Meissner, E Melnick, Y Meschanin, A Miller, ML Milosevich, Z Minaev, NG Mironov, C Mischke, A Mishra, D Mitchell, J Mohanty, B Molnar, L Moore, CF Mora-Corral, MJ Morozov, DA Morozov, V de Moura, MM Munhoz, MG Nandi, BK Nayak, SK Nayak, TK Nelson, JM Netrakanti, PK Nikitin, VA Nogach, LV Norman, B Nurushev, SB Odyniec, G Ogawa, A Okorokov, V Oldenburg, A Olson, D Paic, G Pal, SK Panebratsev, Y Panitkin, SY Pavlinov, AI Pawlak, T Peitzmann, T Perevoztchikov, V Perkins, C Peryt, W Petrov, VA Phatak, SC Picha, R Planinic, M Pluta, J Porile, N Porter, J Poskanzer, AM Potekhin, M Potrebenikova, E Potukuchi, BVKS Prindle, D Pruneau, C Putschke, J Rai, G Rakness, G Raniwala, R Raniwala, S Ravel, O Ray, RL Razin, SV Reichhold, D Reid, JG Renault, G Retiere, F Ridiger, A Ritter, HG Roberts, JB Rogachevski, OV Romero, JL Rose, A Roy, C Ruan, LJ Sahoo, R Sakrejda, I Salur, S Sandweiss, J Savin, I Schambach, J Scharenberg, RP Schmitz, N Schroeder, LS Schweda, K Seger, J Seyboth, P Shahaliev, E Shao, M Shao, W Sharma, M Shestermanov, KE Shimanskii, SS Singaraju, RN Simon, F Skoro, G Smirnov, N Snellings, R Sood, G Sorensen, R Sowinski, J Spinka, HM Srivastava, B Stanislaus, TDS Stock, R Stolpovsky, A Strikhanov, M Stringfellow, B Struck, C Suaide, AAP Sugarbaker, E Suire, C Sumbera, M Surrow, B Symons, TJM de Toledo, AS Szarwas, P Tai, A Takahashi, J Tang, AH Thein, D Thomas, JH Timoshenko, S Tokarev, M Tonjes, MB Trainor, TA Trentalange, S Tribble, RE Tsai, O Ullrich, T Underwood, DG Van Buren, G VanderMolen, AM Varma, R Vasilevski, I Vasiliev, AN Vigdor, SE Viyogi, YP Voloshin, SA Vznuzdaev, M Waggoner, W Wang, F Wang, G Wang, G Wang, XL Wang, Y Wang, ZM Ward, H Watson, JW Webb, JC Wells, R Westfall, GD Whitten, C Wieman, H Willson, R Wissink, SW Witt, R Wood, J Wu, J Xu, N Xu, Z Xu, ZZ Yamamoto, E Yepes, P Yurevich, VI Yuting, B Zanevski, YV Zhang, H Zhang, WM Zhang, ZP Zhaomin, ZP Zolnierczuk, PA Zoulkarneev, R Zoulkarneeva, J Zubarev, AN AF Adams, J Adler, C Aggarwal, MM Ahammed, Z Amonett, J Anderson, BD Arkhipkin, D Averichev, GS Badyal, SK Balewski, J Barannikova, O Barnby, LS Baudot, J Bekele, S Belaga, VV Bellwied, R Berger, J Bezverkhny, BI Bhardwaj, S Bhati, AK Bichsel, H Billmeier, A Bland, LC Blyth, CO Bonner, BE Botje, M Boucham, A Brandin, A Bravar, A Cadman, RV Cai, XZ Caines, H Sanchez, MCD Carroll, J Castillo, J Cebra, D Chaloupka, P Chattopadhyay, S Chen, HF Chen, Y Chernenko, SP Cherney, M Chikanian, A Christie, W Coffin, JP Cormier, TM Cramer, JG Crawford, HJ Das, D Das, S Derevschikov, AA Didenko, L Dietel, T Dong, WJ Dong, X Draper, JE Du, F Dubey, AK Dunin, VB Dunlop, JC Majumdar, MRD Eckardt, V Efimov, LG Emelianov, V Engelage, J Eppley, G Erazmus, B Estienne, M Fachini, P Faine, V Faivre, J Fatemi, R Filimonov, K Filip, P Finch, E Fisyak, Y Flierl, D Foley, KJ Fu, J Gagliardi, CA Gagunashvili, N Gans, J Ganti, MS Gaudichet, L Germain, M Geurts, F Ghazikhanian, V Ghosh, P Gonzalez, JE Grachov, O Grebenyuk, O Gronstal, S Grosnick, D Guedon, M Guertin, SM Gupta, A Gutierrez, TD Hallman, TJ Hamed, A Hardtke, D Harris, JW Heinz, M Henry, TW Heppelmann, S Hippolyte, B Hirsch, A Hjort, E Hoffmann, GW Horsley, M Huang, HZ Huang, SL Hughes, E Humanic, TJ Igo, G Ishihara, A Jacobs, P Jacobs, WW Janik, M Jiang, H Johnson, I Jones, PG Judd, EG Kabana, S Kaplan, M Keane, D Khodyrev, VY Kiryluk, J Kisiel, A Klay, J Klein, SR Klyachko, A Koetke, DD Kollegger, T Kopytine, M Kotchenda, L Kovalenko, AD Kramer, M Kravtsov, P Kravtsov, VI Krueger, K Kuhn, C Kulikov, AI Kumar, A Kunde, GJ Kunz, CL Kutuev, RK Kuznetsov, AA Lamont, MAC Landgraf, JM Lange, S Lasiuk, B Laue, F Lauret, J Lebedev, A Lednicky, R LeVine, MJ Li, C Li, Q Lindenbaum, SJ Lisa, MA Liu, F Liu, L Liu, Z Liu, QJ Ljubicic, T Llope, WJ Long, H Longacre, RS Lopez-Noriega, M Love, WA Ludlam, T Lynn, D Ma, J Ma, YG Magestro, D Mahajan, S Mangotra, LK Mahapatra, DP Majka, R Manweiler, R Margetis, S Markert, C Martin, L Marx, J Matis, HS Matulenko, YA McClain, CJ Markert, C Martin, L Marx, J Matis, HS Matulenko, YA McClain, CJ McShane, TS Meissner, E Melnick, Y Meschanin, A Miller, ML Milosevich, Z Minaev, NG Mironov, C Mischke, A Mishra, D Mitchell, J Mohanty, B Molnar, L Moore, CF Mora-Corral, MJ Morozov, DA Morozov, V de Moura, MM Munhoz, MG Nandi, BK Nayak, SK Nayak, TK Nelson, JM Netrakanti, PK Nikitin, VA Nogach, LV Norman, B Nurushev, SB Odyniec, G Ogawa, A Okorokov, V Oldenburg, A Olson, D Paic, G Pal, SK Panebratsev, Y Panitkin, SY Pavlinov, AI Pawlak, T Peitzmann, T Perevoztchikov, V Perkins, C Peryt, W Petrov, VA Phatak, SC Picha, R Planinic, M Pluta, J Porile, N Porter, J Poskanzer, AM Potekhin, M Potrebenikova, E Potukuchi, BVKS Prindle, D Pruneau, C Putschke, J Rai, G Rakness, G Raniwala, R Raniwala, S Ravel, O Ray, RL Razin, SV Reichhold, D Reid, JG Renault, G Retiere, F Ridiger, A Ritter, HG Roberts, JB Rogachevski, OV Romero, JL Rose, A Roy, C Ruan, LJ Sahoo, R Sakrejda, I Salur, S Sandweiss, J Savin, I Schambach, J Scharenberg, RP Schmitz, N Schroeder, LS Schweda, K Seger, J Seyboth, P Shahaliev, E Shao, M Shao, W Sharma, M Shestermanov, KE Shimanskii, SS Singaraju, RN Simon, F Skoro, G Smirnov, N Snellings, R Sood, G Sorensen, R Sowinski, J Spinka, HM Srivastava, B Stanislaus, TDS Stock, R Stolpovsky, A Strikhanov, M Stringfellow, B Struck, C Suaide, AAP Sugarbaker, E Suire, C Sumbera, M Surrow, B Symons, TJM de Toledo, AS Szarwas, P Tai, A Takahashi, J Tang, AH Thein, D Thomas, JH Timoshenko, S Tokarev, M Tonjes, MB Trainor, TA Trentalange, S Tribble, RE Tsai, O Ullrich, T Underwood, DG Van Buren, G VanderMolen, AM Varma, R Vasilevski, I Vasiliev, AN Vigdor, SE Viyogi, YP Voloshin, SA Vznuzdaev, M Waggoner, W Wang, F Wang, G Wang, G Wang, XL Wang, Y Wang, ZM Ward, H Watson, JW Webb, JC Wells, R Westfall, GD Whitten, C Wieman, H Willson, R Wissink, SW Witt, R Wood, J Wu, J Xu, N Xu, Z Xu, ZZ Yamamoto, E Yepes, P Yurevich, VI Yuting, B Zanevski, YV Zhang, H Zhang, WM Zhang, ZP Zhaomin, ZP Zolnierczuk, PA Zoulkarneev, R Zoulkarneeva, J Zubarev, AN CA STAR Collaboration TI phi meson production in Au + Au and p + p collisions at root S-NN=200 GeV SO PHYSICS LETTERS B LA English DT Article ID AU+AU COLLISIONS; KAON PRODUCTION; MODEL; PHENOMENOLOGY; EXTRACTION AB We report the STAR measurement of phi meson production in Au + Au and p + p collisions at root s(NN) = 200 GeV. Using the event mixing technique, the phi spectra and yields are obtained at mid-rapidity for five centrality bins in Au + Au collisions and for non-singly-diffractive p + p collisions. It is found that the phi transverse momentum distributions from Au + An collisions are better fitted with a single-exponential while the p + p spectrum is better described by a double-exponential distribution. The measured nuclear modification factors indicate that phi production in central An + An collisions is suppressed relative to peripheral collisions when scaled by the number of binary collisions (< N-bin>). The systematics of < p(t)> versus centrality and the constant phi/K- ratio versus beam species, centrality, and collision energy rule out kaon coalescence as the dominant mechanism for phi production. (c) 2005 Elsevier B.V. All rights reserved. C1 Univ Birmingham, Birmingham B15 2TT, W Midlands, England. Argonne Natl Lab, Argonne, IL 60439 USA. Brookhaven Natl Lab, Upton, NY 11973 USA. Univ Calif Berkeley, Berkeley, CA 94720 USA. Univ Calif Davis, Davis, CA 95616 USA. Univ Calif Los Angeles, Los Angeles, CA 90095 USA. CALTECH, Pasadena, CA 91125 USA. Carnegie Mellon Univ, Pittsburgh, PA 15213 USA. Creighton Univ, Omaha, NE 68178 USA. Acad Sci Czech Republic, Inst Nucl Phys, CZ-25068 Rez, Czech Republic. Lab High Energy, JINR, Dubna, Russia. Particle Phys Lab, JINR, Dubna, Russia. Goethe Univ Frankfurt, D-6000 Frankfurt, Germany. Indian Inst Technol, Bombay 400076, Maharashtra, India. Indiana Univ, Bloomington, IN 47408 USA. Inst Phys, Bhubaneswar 751005, Orissa, India. Inst Rech Subatom, Strasbourg, France. Univ Jammu, Jammu 180001, India. Kent State Univ, Kent, OH 44242 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Max Planck Inst Phys & Astrophys, D-80805 Munich, Germany. Michigan State Univ, E Lansing, MI 48824 USA. Moscow Engn Phys Inst, Moscow 115409, Russia. CUNY City Coll, New York, NY 10031 USA. NIKHEF H, NL-1009 DB Amsterdam, Netherlands. Ohio State Univ, Columbus, OH 43210 USA. Punjabi Univ, Chandigarh 160014, India. Penn State Univ, University Pk, PA 16802 USA. Inst High Energy Phys, Protvino, Russia. Purdue Univ, W Lafayette, IN 47907 USA. Univ Rajasthan, Jaipur 302004, Rajasthan, India. Rice Univ, Houston, TX 77251 USA. Univ Sao Paulo, BR-05508 Sao Paulo, Brazil. Acad Sinica, Shanghai Inst Nucl Res, Shanghai 201800, Peoples R China. SUBATECH, Nantes, France. Texas A&M Univ, College Stn, TX 77843 USA. Univ Texas, Austin, TX 78712 USA. Valparaiso Univ, Valparaiso, IN 46383 USA. Bhabha Atom Res Ctr, Ctr Variable Energy Cyclotron, Kolkata 700064, W Bengal, India. Warsaw Univ Technol, Warsaw, Poland. Univ Washington, Seattle, WA 98195 USA. Wayne State Univ, Detroit, MI 48201 USA. CCNU, HZNU, Inst Particle Phys, Wuhan 430079, Peoples R China. Yale Univ, New Haven, CT 06520 USA. Univ Zagreb, HR-10002 Zagreb, Croatia. RP Adams, J (reprint author), Univ Birmingham, Birmingham B15 2TT, W Midlands, England. EM jgma@physics.ucla.edu RI Skoro, Goran/P-1229-2014; Strikhanov, Mikhail/P-7393-2014; Kisiel, Adam/O-8754-2015; Chaloupka, Petr/E-5965-2012; Suaide, Alexandre/L-6239-2016; Inst. of Physics, Gleb Wataghin/A-9780-2017; Okorokov, Vitaly/C-4800-2017; Ma, Yu-Gang/M-8122-2013; Planinic, Mirko/E-8085-2012; Peitzmann, Thomas/K-2206-2012; Witt, Richard/H-3560-2012; Castillo Castellanos, Javier/G-8915-2013; Voloshin, Sergei/I-4122-2013; Johnson, Ian/I-2439-2013; Lednicky, Richard/K-4164-2013; Sumbera, Michal/O-7497-2014; Skoro, Goran/F-3642-2010; Barnby, Lee/G-2135-2010; Mischke, Andre/D-3614-2011; Takahashi, Jun/B-2946-2012; Chen, Yu/E-3788-2012 OI Skoro, Goran/0000-0001-7745-9045; Strikhanov, Mikhail/0000-0003-2586-0405; Kisiel, Adam/0000-0001-8322-9510; Suaide, Alexandre/0000-0003-2847-6556; Okorokov, Vitaly/0000-0002-7162-5345; Ma, Yu-Gang/0000-0002-0233-9900; Mohanty, Bedangadas/0000-0001-9610-2914; Gutierrez, Thomas/0000-0002-0330-6414; Peitzmann, Thomas/0000-0002-7116-899X; Castillo Castellanos, Javier/0000-0002-5187-2779; Sumbera, Michal/0000-0002-0639-7323; Barnby, Lee/0000-0001-7357-9904; Takahashi, Jun/0000-0002-4091-1779; NR 36 TC 140 Z9 140 U1 0 U2 4 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 21 PY 2005 VL 612 IS 3-4 BP 181 EP 189 DI 10.1016/j.physletb.2004.12.082 PG 9 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 919CO UT WOS:000228596100012 ER PT J AU Karliner, M Lipkin, HJ AF Karliner, M Lipkin, HJ TI On a possible tetraquark cousin of the Theta(+) SO PHYSICS LETTERS B LA English DT Article ID NUCLEI AB If a narrow Theta(+) pentaquark exists, it is likely that a uds-ud triquark-diquark configuration is a significant component of its wave function. If so, the mechanism responsible for the binding of a triquark and a diquark is also likely to bind the triquark to an 9 antiquark. We discuss the expected properties of such a uds-s tetraquark meson. In particular, we point out that for a 0(+) isoscalar udss meson the lowest allowed decay mode is a four-body KK pi pi channel with a very small phase space and a distinctive experimental signature. (c) 2005 Elsevier B.V. All rights reserved. C1 Univ Cambridge, Cavendish Lab, Cambridge CB3 0HE, England. Tel Aviv Univ, Raymond & Beverly Sackler Fac Exact Sci, Sch Phys & Astron, 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; harry.lipkin@weizmann.ac.il NR 36 TC 13 Z9 13 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 21 PY 2005 VL 612 IS 3-4 BP 197 EP 200 DI 10.1016/j.physletb.2005.03.028 PG 4 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 919CO UT WOS:000228596100014 ER PT J AU Butter, D Gaillard, MK AF Butter, D Gaillard, MK TI The axion mass in modular invariant supergravity SO PHYSICS LETTERS B LA English DT Article ID DYNAMICAL SUPERSYMMETRY BREAKING; EFFECTIVE LAGRANGIAN ANALYSIS; COUPLED STRING THEORY; GAUGINO CONDENSATION; LOOP CORRECTIONS; ANOMALOUS U(1); FIELD-THEORIES; HIDDEN SECTOR; TARGET SPACE; COUPLINGS AB When supersymmetry is broken by condensates with a single condensing gauge group, there is a nonanomalous R-symmetry that prevents the universal axion from acquiring a mass. It has been argued that, in the context of supergravity, higher dimension operators will break this symmetry and may generate an axion mass too large to allow the identification of the universal axion with the QCD axion. We show that such contributions to the axion mass are highly suppressed in a class of models where the effective Lagrangian for gaugino and matter condensation respects modular invariance (T-duality). (c) 2005 Published by Elsevier B.V. C1 Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Theoret Phys Grp, Berkeley, CA 94720 USA. RP Butter, D (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM dbutter@socrates.berkeley.edu; mkgaillard@lbl.gov NR 38 TC 10 Z9 10 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 21 PY 2005 VL 612 IS 3-4 BP 304 EP 310 DI 10.1016/j.physletb.2005.03.024 PG 7 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 919CO UT WOS:000228596100026 ER PT J AU Rambo, PK Smith, IC Porter, JL Hurst, MJ Speas, CS Adams, RG Garcia, AJ Dawson, E Thurston, BD Wakefield, C Kellogg, JW Slattery, MJ Ives, HC Broyles, RS Caird, JA Erlandson, AC Murray, JE Behrendt, WC Neilsen, ND Narduzzi, JM AF Rambo, PK Smith, IC Porter, JL Hurst, MJ Speas, CS Adams, RG Garcia, AJ Dawson, E Thurston, BD Wakefield, C Kellogg, JW Slattery, MJ Ives, HC Broyles, RS Caird, JA Erlandson, AC Murray, JE Behrendt, WC Neilsen, ND Narduzzi, JM TI Z-Beamlet: a multikilojoule, terawatt-class laser system SO APPLIED OPTICS LA English DT Article ID INERTIAL-CONFINEMENT FUSION; PERFORMANCE; IGNITION; FACILITY AB A large-aperture (30-cm) kilojoule-class Nd:glass laser system known as Z-Beamlet has been constructed to perform x-ray radiography of high-energy-density science experiments conducted on the Z facility at 14 Sandia National Laboratories, Albuquerque, New Mexico. The laser, operating with typical pulse durations from 0.3 to 1.5 ns, employs a sequence of successively larger multipass amplifiers to achieve up to 3-kJ energy at 1054 nm. Large-aperture frequency conversion and long-distance beam transport can provide on-target energies of up to 1.5 kJ at 527 nm. (c) 2005 Optical Society of America. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. Ktech Corp Inc, Albuquerque, NM 87123 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Rambo, PK (reprint author), Sandia Natl Labs, POB 5800,Mail Stop 1193, Albuquerque, NM 87185 USA. EM prambo@sandia.gov NR 26 TC 69 Z9 71 U1 0 U2 2 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1559-128X EI 2155-3165 J9 APPL OPTICS JI Appl. Optics PD APR 20 PY 2005 VL 44 IS 12 BP 2421 EP 2430 DI 10.1364/AO.44.002421 PG 10 WC Optics SC Optics GA 919ZX UT WOS:000228657700026 PM 15861852 ER PT J AU Sako, M Harrison, FA Rutledge, RE AF Sako, M Harrison, FA Rutledge, RE TI A search for discrete X-ray spectral features in a sample of bright gamma-ray burst afterglows SO ASTROPHYSICAL JOURNAL LA English DT Review DE gamma rays : bursts; gamma rays : observations; methods : data analysis; methods : statistical; X-rays : general ID TRANSMISSION GRATING SPECTROMETER; ENERGY CONCENTRATOR SPECTROMETER; XMM-NEWTON OBSERVATIONS; EMISSION-LINES; HOST GALAXY; ASTRONOMY SATELLITE; OPTICAL AFTERGLOW; IRON LINE; CHANDRA; DISCOVERY AB We present uniform, detailed spectral analyses of gamma-ray burst (GRB) X-ray afterglows observed with ASCA, BeppoSAX, Chandra, and XMM-Newton and critically evaluate the statistical significances of X-ray emission and absorption features in these spectra. The sample consists of 21 X-ray afterglow observations up to and including that of GRB 040106 with spectra of sufficient statistical quality to allow meaningful line searches, chosen here somewhat arbitrarily to be detections with more than 100 total ( source plus background) counts. This sample includes all nine X-ray afterglows with published claims of line detections. Moderate resolution spectra are available for 16 of the 21 sources and for the remaining five the Chandra transmission grating spectrometers obtained high-resolution data. All of the data are available from the public archive. We test a simple hypothesis in which the observed spectra are produced by a power-law continuum model modified by photoelectric absorption by neutral material both in our Galaxy and possibly also local to the burst. As a sample, these afterglow spectra are consistent with this relatively simple model. However, since the chi(2) statistic is not sensitive to weak and/or localized fluctuations, we have performed Monte Carlo simulations to search for discrete features and to estimate their significances. Our analysis shows that there are four afterglows ( GRB 011211, GRB 030227, GRB 021004, and GRB 040106) with line-like features that are significant at the 3 sigma level. We cautiously note that, in two cases, the features are associated with an unusual background feature; in the other two, the fractional magnitudes of the lines are small, and comparable to the expected level of systematic uncertainty in the spectral response. In addition, none of the statistically significant features are seen in more than one detector or spectral order where available. We conclude that, to date, no credible X-ray line feature has been detected in a GRB afterglow. Finally, in a majority of cases, we find no evidence for significant absorbing columns local to the GRB host galaxy, implying that there is little evidence from X-ray observations that GRB preferentially explode in high-density environments. C1 CALTECH, Space Radiat Lab, Pasadena, CA 91125 USA. RP Sako, M (reprint author), SLAC, KIPAC, 2575 Sand Hill Rd M-S 29, Menlo Pk, CA 94025 USA. EM masao@slac.stanford.edu; fiona@srl.caltech.edu; rutledge@crust.physics.mcgill.ca NR 132 TC 29 Z9 29 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 20 PY 2005 VL 623 IS 2 BP 973 EP 999 DI 10.1086/425644 PN 1 PG 27 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 917GU UT WOS:000228445500029 ER PT J AU Clayton, GC Herwig, F Geballe, TR Asplund, M Tenenbaum, ED Engelbracht, CW Gordon, KD AF Clayton, GC Herwig, F Geballe, TR Asplund, M Tenenbaum, ED Engelbracht, CW Gordon, KD TI An extremely large excess of O-18 in the hydrogen-deficient carbon star HD 137613 SO ASTROPHYSICAL JOURNAL LA English DT Article DE stars : AGB and post-AGB; stars : carbon; stars : evolution; stars : individual (HD 137613) ID CORONAE-BOREALIS STARS; OXYGEN ISOTOPIC-RATIOS; SAKURAIS OBJECT; INFRARED-SPECTROSCOPY; C-12/C-13 RATIO; REACTION-RATES; WHITE-DWARFS; MERE FACTS; RCB STARS; K-BAND AB We report the discovery of a uniquely large excess of O-18 in the hydrogen-deficient carbon (HdC) star HD 137613 based on a spectrum of the first-overtone bands of CO at 2.3 - 2.4 mu m in which three strong absorption bands of (CO)-C-12-O-18 are clearly present. Bands of (CO)-C-12-O-16 also are present, but no bands of (CO)-C-13-O-16 or (CO)-C-12-O-17 are seen. We estimate an isotopic ratio O-16/O-18 less than or similar to 1. The solar value of this ratio is similar to 500. Neither He-core burning nor He-shell flash burning can produce the isotopic ratios of oxygen and carbon observed in HD 137613. However, a remarkable similarity exists between the observed abundances and those found in the outer layers of the broad He shell of early - asymptotic giant branch ( AGB) stars, soon after the end of He-core burning. It is not known how the outer envelope down to the He shell could be lost, but some mechanism of enhanced mass loss must be involved. HD 137613 may be a post - early-AGB star with the outer layers of the former He-burning shell as its photosphere. The unusual elemental abundances of the HdC stars resemble those of the R Coronae Borealis (RCB) stars, but HdC stars do not produce clouds of dust that produce declines in brightness. None of the other RCB or HdC stars observed show significant O-18. C1 Louisiana State Univ, Dept Phys & Astron, Baton Rouge, LA 70803 USA. Maria Mitchell Observ, Nantucket, MA 02554 USA. Los Alamos Natl Lab, Los Alamos, NM 87544 USA. Gemini Observ, Hilo, HI 96720 USA. Australian Natl Univ, Mt Stromlo & Siding Spring Observ, Res Sch Astron & Astrophys, Weston, ACT 2611, Australia. Pomona Coll, Dept Chem, Claremont, CA 91711 USA. Univ Arizona, Steward Observ, Tucson, AZ 85721 USA. RP Clayton, GC (reprint author), Louisiana State Univ, Dept Phys & Astron, Baton Rouge, LA 70803 USA. EM gclayton@fenway.phys.lsu.edu; fherwig@lanl.gov; tgeballe@gemini.edu; martin@mso.anu.edu.au; emilytenenbaum@hotmail.com; cengelbracht@as.arizona.edu; kgordon@as.arizona.edu NR 41 TC 30 Z9 30 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 20 PY 2005 VL 623 IS 2 BP L141 EP L144 DI 10.1086/430110 PN 2 PG 4 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 917GV UT WOS:000228445600020 ER PT J AU De Propris, R Phillipps, S Drinkwater, MJ Gregg, MD Jones, JB Evstigneeva, E Bekki, K AF De Propris, R Phillipps, S Drinkwater, MJ Gregg, MD Jones, JB Evstigneeva, E Bekki, K TI A comparison of surface brightness profiles for ultracompact dwarfs and dwarf elliptical nuclei: Implications for the "threshing" scenario SO ASTROPHYSICAL JOURNAL LA English DT Article DE galaxies : dwarf; galaxies : star clusters; galaxies : structure ID MASSIVE STAR-CLUSTERS; FORNAX CLUSTER; SPACE-TELESCOPE; VIRGO CLUSTER; COMPACT GALAXIES; CATALOG; PHOTOMETRY; REDSHIFT; SYSTEMS; NUMBER AB Using imaging from the Hubble Space Telescope, we derive surface brightness profiles for ultracompact dwarfs in the Fornax Cluster and for the nuclei of dwarf elliptical galaxies in the Virgo Cluster. Ultracompact dwarfs are more extended and have higher surface brightnesses than typical dwarf nuclei, while the luminosities, colors, and sizes of the nuclei are closer to those of Galactic globular clusters. This calls into question the production of ultracompact dwarfs via "threshing," whereby the lower surface brightness envelope of a dwarf elliptical galaxy is removed by tidal processes, leaving behind a bare nucleus. Threshing may still be a viable model if the relatively bright Fornax ultracompact dwarfs considered here are descended from dwarf elliptical galaxies whose nuclei are at the upper end of their luminosity and size distributions. C1 Univ Bristol, HH Wills Phys Lab, Bristol BS8 1TL, Avon, England. Univ Queensland, Dept Phys, Brisbane, Qld 4072, Australia. Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. Univ London Queen Mary Coll, Sch Math Sci, London E1 4NS, England. Univ New S Wales, Dept Astrophys, Sydney, NSW 2052, Australia. Lawrence Livermore Natl Lab, Inst Geophys & Planetary Phys, Livermore, CA 94550 USA. RP De Propris, R (reprint author), Univ Bristol, HH Wills Phys Lab, Tyndall Ave, Bristol BS8 1TL, Avon, England. EM r.depropris@bristol.ac.uk; s.phillipps@bristol.ac.uk; mjd@physics.uq.edu.au; gregg@igpp.ucllnl.org; bryn.jones@qmul.ac.uk; katya@physics.uq.edu.au; bekki@bat.phys.unsw.edu.au RI Drinkwater, Michael/A-2201-2008; Bekki, Kenji/H-8821-2014; OI Drinkwater, Michael/0000-0003-4867-0022; Jones, Bryn/0000-0002-4679-5625; Phillipps, Steven/0000-0001-5991-3486 NR 38 TC 33 Z9 33 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 20 PY 2005 VL 623 IS 2 BP L105 EP L108 DI 10.1086/430207 PN 2 PG 4 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 917GV UT WOS:000228445600011 ER PT J AU Custelcean, R Gorbunova, MG AF Custelcean, R Gorbunova, MG TI Protonation-assisted spontaneous resolution: formation of a homochiral 2D interpenetrated hydrogen-bonded network from 4,4 '-binicotinic acid under highly acidic conditions SO CRYSTENGCOMM LA English DT Article ID CRYSTAL-STRUCTURES; MOLECULES AB The conformationally chiral 4,4'-bipyridine-2,2'-dicarboxylic acid ( herein called 4,4'-binicotinic acid, BNA) forms racemic crystals either from neutral water as the free base, or from dilute hydrochloric acid ( 1 M) as the monohydrochloride salt, as determined by single crystal X-ray analysis. Crystallization from more concentrated hydrochloric acid ( 6 M), on the other hand, yields the dihydrochloride salt of BNA, which was found to segregate into conglomerates with the chiral space group C2. In this structure, the BNA center dot 2HCl forms a homochiral (4,4) net, with BNA molecules of the same chirality linked via COOH center dot center dot center dot Cl center dot center dot center dot HN hydrogen bonds. The resulting low-density framework self-penetrates to generate a two-fold 2D interwoven homochiral layer. Stacking of layers of the same handedness generates an enantiomorphous crystal. The increased contribution of ionic and hydrogen bonding in this crystal appears to be responsible for the observed spontaneous resolution. C1 Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Custelcean, R (reprint author), Oak Ridge Natl Lab, Div Chem Sci, POB 2008,MS-6119, Oak Ridge, TN 37831 USA. EM custelceanr@ornl.gov RI Custelcean, Radu/C-1037-2009 OI Custelcean, Radu/0000-0002-0727-7972 NR 18 TC 15 Z9 15 U1 0 U2 6 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1466-8033 J9 CRYSTENGCOMM JI Crystengcomm PD APR 20 PY 2005 VL 7 BP 297 EP 301 DI 10.1039/b501901j PG 5 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA 918TN UT WOS:000228570600001 ER PT J AU Alexeev, Y Windus, TL Zhan, CG Dixon, DA AF Alexeev, Y Windus, TL Zhan, CG Dixon, DA TI Accurate heats of formation and acidities for H3PO4, H2SO4, and H2CO3 from ab initio electronic structure calculations SO INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY LA English DT Article DE coupled cluster (CCSD(T)) gas phase acidity; solution phase acidity; solvation complete basis set ID HYDRATION FREE-ENERGY; CORRELATED MOLECULAR CALCULATIONS; DENSITY-FUNCTIONAL THEORIES; COUPLED-CLUSTER THEORY; GAUSSIAN-BASIS SETS; REACTION FIELD-THEORY; GAS-PHASE; WAVE-FUNCTIONS; DISSOCIATION-ENERGIES; IONIZATION-POTENTIALS AB Atomization energies and heats of formation at 0 and 298 K for H2CO3, HCO3-, H2SO4, HSO4-, H3PO4- and H2PO4- were calculated using coupled cluster theory including noniterative, quasi-perturbative triple excitations (CCSD(T)) with large basis sets. Optimized geometries and harmonic vibrational frequencies were calculated at the MP2/aug-cc-pVTZ level. Atomization energies were obtained by extrapolating CCSD(T) valence energies to the complete basis set limit (CBS) using the aug-cc-pV(n+d)Z (n = D, T, Q) basis sets where the +d corresponds to the inclusion of tight d functions for the second row atoms P and S. In order to achieve near chemical accuracy (+/- 1 kcal/ mol) in the thermodynamic properties, a core/valence correction, a Douglas-Kroll-Hess scalar relativistic correction, and a first-order atomic spin-orbit correction were included. The calculated heats of formation of the neutral molecules at 0 K are Delta (HfH2CO3)-H-O() = -275.2, Delta H-f(O)(H2SO4) = -167.9, and Delta H-f(O)(H3PO4) = -268.8 kcal/mol. The only experimental value is Delta H-f(O)(H2SO4) = -172.4 +/- 2, a difference of about 4 kcal/mol. The calculated gas acidities (Delta G) at 298 K are 332.2, 322.2, and 304.6 kcal/mol for H2CO3, H3PO4, and H2SO4, respectively. The calculated values for H3PO4 and H2SO4 are in good agreement with the respective experimental values of 323.0 +/- 4.9 and 302.3 +/- 2.6 kcal/mol. Solution acidities are computed using the fully polarizable continuum model. Using an electron density contour value of 0.001 a.u. to define the cavity for the neutral molecules and of 0.0022 a.u. for the anions, we calculate pK(a)(H2CO3) = 6.3, pK(a)(H3PO4) = 2.5, and pK(a)(HNO3) = -2.4 which are within one pK(a) of the respective experimental values of 6.4, 2.1, and -1.4. We predict the pK(a) of H2SO4 in aqueous solution to be in the range of -6 to -8, significantly lower than the estimated experimental values in the range of -3. (c) 2004 Wiley Periodicals, Inc. C1 Univ Alabama, Dept Chem, Tuscaloosa, AL 35487 USA. Pacific NW Natl Lab, William R Wiley Environm Mol Sci Lab, Mol Sci Comp Facil, Richland, WA 99352 USA. Univ Kentucky, Coll Pharm, Div Pharmaceut Sci, Lexington, KY 40536 USA. RP Dixon, DA (reprint author), Univ Alabama, Dept Chem, Box 870336, Tuscaloosa, AL 35487 USA. EM dadixon@bama.ua.edu NR 68 TC 38 Z9 38 U1 0 U2 8 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0020-7608 J9 INT J QUANTUM CHEM JI Int. J. Quantum Chem. PD APR 20 PY 2005 VL 102 IS 5 BP 775 EP 784 DI 10.1002/qua.20359 PG 10 WC Chemistry, Physical; Mathematics, Interdisciplinary Applications; Physics, Atomic, Molecular & Chemical SC Chemistry; Mathematics; Physics GA 914KY UT WOS:000228227700029 ER PT J AU Hong, JB Park, L Kwon, YS AF Hong, JB Park, L Kwon, YS TI Thermal properties of various Kondo ground states in the heavy-fermion system CeNi1-xCoxGe2 SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Article ID ANOMALOUS MAGNETIC-PROPERTIES; CE MONOPNICTIDES; MECHANISM; BEHAVIOR; CRYSTAL; SUSCEPTIBILITY; TRANSPORT; MODEL AB We report results of the specific heat of the heavy-fermion compounds of the alloying series CeNi1-xCoxGe2. With increasing x, hybridization between the localized 4f and conduction band electrons is enhanced. The magnetic order observed for the x = 0 composition is completely suppressed at a critical concentration of x(c) = 0.3, yielding Fermi-liquid behaviour for x > 0.3. We observe significant deviations from the Fermi-liquid behaviour at x(c) = 0.3. Anomalies found in the specific heat are well explained by the Kondo model for a degenerate impurity spin J = 1/2, 3/2, and 5/2 in the Coqblin-Schrieffer limit for the Co concentration ranges of x <= 0.6, 0.7 <= x <= 0.8, and x >= 0.9, respectively. C1 Sungkyunkwan Univ, BK21 Phys Res Div, Suwon 440746, South Korea. Sungkyunkwan Univ, Inst Basic Sci, Suwon 440746, South Korea. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Seoul Natl Univ, Ctr Strongly Correlated Mat Res, Seoul 151742, South Korea. RP Hong, JB (reprint author), Sungkyunkwan Univ, BK21 Phys Res Div, Suwon 440746, South Korea. EM yskwon@skku.ac.kr NR 19 TC 1 Z9 1 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 20 PY 2005 VL 17 IS 15 BP 2485 EP 2492 DI 10.1088/0953-8984/17/15/019 PG 8 WC Physics, Condensed Matter SC Physics GA 921MA UT WOS:000228767400023 ER PT J AU Bing, YH Bokov, AA Ye, ZG Noheda, B Shirane, G AF Bing, YH Bokov, AA Ye, ZG Noheda, B Shirane, G TI Structural phase transition and dielectric relaxation in Pb(Zn1/3Nb2/3)O-3 single crystals SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Article ID RELAXOR FERROELECTRICS; X-RAY; PIEZOELECTRICITY; PBMG1/3NB2/3O3; DIFFRACTION; PEROVSKITES; DOMAINS AB The structure and the dielectric properties of Pb(Zn1/3Nb2/3)O-3 (PZN) crystal have been investigated by means of high-resolution synchrotron x-ray diffraction (with an x-ray energy of 32 keV) and dielectric spectroscopy (in the frequency range 100 Hz-1 MHz). At high temperatures, the PZN crystal exhibits a cubic symmetry and polar nanoregions inherent to relaxor ferroelectrics are present, as evidenced by the single (222) Bragg peak and by the noticeable tails at the base of the peak. At low temperatures, in addition to the well-known rhombohedral phase, another low-symmetry, probably monoclinic, phase is found. The two phases coexist in the form of mesoscopic domains. The ferroelectric phase transition is diffuse and observed between 325 and 390 K, where the concentration of the low-temperature phases gradually increases and the cubic phase disappears upon cooling. However, no dielectric anomalies can be detected in the temperature range of the diffuse phase transition. The temperature dependence of the dielectric constant shows a maximum at higher temperature (T-m = 417-429 K, depending on frequency) with the typical relaxor dispersion at T < T-m and the frequency dependence of T-m fitted to the Vogel-Fulcher relation. Application of an electric field upon cooling from the cubic phase orpoling the crystal in the ferroelectric phase gives rise to a sharp anomaly of the dielectric constant at T approximate to 390 K and greatly diminishes the dispersion at lower temperatures, but the dielectric relaxation process around T,, remains qualitatively unchanged. The results are discussed in the framework of the present models of relaxors and in comparison with the prototypical relaxor ferroelectric Pb(Mg1/3Nb2/3)O-3. C1 Simon Fraser Univ, Dept Chem, Burnaby, BC V5A 1S6, Canada. Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Ye, ZG (reprint author), Simon Fraser Univ, Dept Chem, 8888 Univ Dr, Burnaby, BC V5A 1S6, Canada. EM zye@sfu.ca RI Bokov, Alexei/C-6924-2008 OI Bokov, Alexei/0000-0003-1126-3378 NR 40 TC 40 Z9 40 U1 3 U2 18 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 20 PY 2005 VL 17 IS 15 BP 2493 EP 2507 DI 10.1088/0953-8984/17/15/020 PG 15 WC Physics, Condensed Matter SC Physics GA 921MA UT WOS:000228767400024 ER PT J AU Yan, WF Mahurin, SM Overbury, SH Dai, S AF Yan, WF Mahurin, SM Overbury, SH Dai, S TI Nonhydrolytic layer-by-layer surface sol-gel modification of powdered mesoporous silica materials with TiO2 SO CHEMISTRY OF MATERIALS LA English DT Article ID POROUS MATERIALS; METAL ALKOXIDES; LOW-TEMPERATURE; DEPOSITION; CHEMISTRY; FILMS; SIZE; NANOPARTICLES; NANOCRYSTALS; ADSORPTION C1 Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Dai, S (reprint author), Oak Ridge Natl Lab, Div Chem Sci, POB 2008, Oak Ridge, TN 37831 USA. EM dais@ornl.gov RI Overbury, Steven/C-5108-2016; Dai, Sheng/K-8411-2015 OI Overbury, Steven/0000-0002-5137-3961; Dai, Sheng/0000-0002-8046-3931 NR 36 TC 43 Z9 44 U1 1 U2 17 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 19 PY 2005 VL 17 IS 8 BP 1923 EP 1925 DI 10.1021/cm048118s PG 3 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 917BU UT WOS:000228431700002 ER PT J AU Brinks, HW Hauback, BC Jensen, CM Zidan, R AF Brinks, HW Hauback, BC Jensen, CM Zidan, R TI Synthesis and crystal structure of Na2LiAlD6 SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article DE powder X-ray diffraction; powder neutron diffraction; synchrotron radiation; metal hydrides; crystal structure; alanates ID REVERSIBLE HYDROGEN STORAGE; SODIUM ALUMINUM-HYDRIDE; X-RAY-DIFFRACTION; TI-DOPED NAALH4; NEUTRON-DIFFRACTION; METAL-HYDRIDES; ALANATES; NA3ALH6; POWDER; DECOMPOSITION AB Na2LiAlD6 was synthesized by ball milling of NaAlD4 and LiAlD4 with subsequent heat treatment under D-2 pressure. The compound has an ordered perovskite-type structure with Li and Al in octahedral positions. The [LiD6](3-) and [AID(6)](3-) complex anions are ordered in three dimensions such that the neighbouring octahedron is of different type in all three directions. Each octahedron shares each corner with one other octahedron. Na2LiAlD6 crystallizes in the cubic space group Fm (3) over barm with unit-cell dimension a = 7.38484(5) A. The structure may also be described as a c.c.p. geometry of (isolated) AlD6 entities with Li filling the octahedral sites and Na filling all the tetrahedral sites. Sodium is connected to three D atoms from each of the four surrounding AlD6 octahedra, resulting in a total coordination number of 12. (c) 2004 Elsevier B.V. All rights reserved. C1 Inst Energy Technol, Dept Phys, NO-2027 Kjeller, Norway. Univ Hawaii, Dept Chem, Honolulu, HI 96822 USA. Savannah River Natl Lab, Aiken, SC 29808 USA. RP Brinks, HW (reprint author), Inst Energy Technol, Dept Phys, POB 40, NO-2027 Kjeller, Norway. EM hwbrinks@ife.no NR 40 TC 40 Z9 40 U1 0 U2 9 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 19 PY 2005 VL 392 IS 1-2 BP 27 EP 30 DI 10.1016/j.jallcom.2004.09.006 PG 4 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 919RF UT WOS:000228634600006 ER PT J AU Kline, RJ McGehee, MD Kadnikova, EN Liu, JS Frechet, JMJ Toney, MF AF Kline, RJ McGehee, MD Kadnikova, EN Liu, JS Frechet, JMJ Toney, MF TI Dependence of regioregular poly(3-hexylthiophene) film morphology and field-effect mobility on molecular weight SO MACROMOLECULES LA English DT Article ID CONJUGATED POLYMERS; EFFECT TRANSISTORS; SOLAR-CELLS; ALIGNMENT; POLYFLUORENE; DIFFRACTION; DEVICES AB Morphological characterization has been used to explain the previously observed strong correlation between charge carrier mobility measured with thin-film transistors and the number-average molecular weight (MW) of the conjugated polymer regioregular poly(3-hexylthiophene). Atomic force microscopy and X-ray diffraction show that the low-mobility, low-MW films have a highly ordered structure composed of nanorods and the high-mobility, high-MW films have a less ordered, isotropic nodule structure. Modifying the morphology for a constant MW by changing the casting conditions or annealing the samples strongly affects the charge transport and morphology in the low-mobility, low-MW films, but has little effect on the high-MW films. In-plane grazing incidence X-ray scattering shows the in-plane pi-stacking peak increases when the mobility increases for a constant MW. When the MW is changed, this correlation breaks down, confirming that in-planet-stacking does not cause the mobility-MW relationship. We believe a combination of disordered domain boundaries and inherent effects of chain length on the electronic structure cause the mobility-MW relationship. C1 Stanford Univ, Dept Mat Sci & Engn, Stanford, CA 94305 USA. Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Sci Mat, Berkeley, CA 94720 USA. Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. RP McGehee, MD (reprint author), Stanford Univ, Dept Mat Sci & Engn, Stanford, CA 94305 USA. EM mmcgehee@stanford.edu RI Kline, Regis/B-8557-2008; OI Frechet, Jean /0000-0001-6419-0163 NR 36 TC 679 Z9 685 U1 8 U2 164 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0024-9297 J9 MACROMOLECULES JI Macromolecules PD APR 19 PY 2005 VL 38 IS 8 BP 3312 EP 3319 DI 10.1021/ma047415f PG 8 WC Polymer Science SC Polymer Science GA 917FP UT WOS:000228442100035 ER PT J AU Izumi, T Brown, DB Naidu, CV Bhakat, KK MacInnes, MA Saito, H Chen, DJ Mitra, S AF Izumi, T Brown, DB Naidu, CV Bhakat, KK MacInnes, MA Saito, H Chen, DJ Mitra, S TI Two essential but distinct functions of the mammalian abasic endonuclease SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE conditional gene inactivation; DNA repair; endogenous DNA damage; base excision repair ID DNA-REPAIR ENZYME; HUMAN AP-ENDONUCLEASE; BASE EXCISION-REPAIR; EXTRACELLULAR CALCIUM; OXIDATIVE STRESS; REDOX REGULATION; HUMAN-CELLS; GENE; REF-1; BINDING AB The mammalian abasic endonuclease, APE1, has two distinct roles in the repair of oxidative DNA damage and in gene regulation. Here we show that both functions are essential for cell survival. Deletion of the APE1 gene causes embryonic lethality in mice, and no nullizygous embryo fibroblasts have been isolated. We have now established nullizygous embryo fibroblast lines from APE1-/- mouse embryos that are transgenic with the "floxed" human APE1 (hAPE1) gene. Removal of hAPE1 by Cre expression through nuclear microinjection elicited apoptosis in these cells within 24 h, which was blocked by coinjection of the wild-type hAPE1 gene. In contrast, mutant hAPE1 alleles, lacking either the DNA repair or acetylation-mediated gene regulatory function, could not prevent apoptosis, although the combination of these two mutants complemented APE deficiency induced by Cre. These results indicate that distinct and separable functions of APE1 are both essential for mammalian cells even in vitro and provide the evidence that mammalian cells, unlike yeast or Escherichia coli, absolutely require APE for survival, presumably to protect against spontaneous oxidative DNA damage. C1 Univ Texas, Med Branch, Sealy Ctr Mol Sci, Galveston, TX 77555 USA. Univ Texas, Med Branch, Dept Human Biol Chem & Genet, Galveston, TX 77555 USA. Univ Texas, Med Branch, Dept Surg, Galveston, TX 77555 USA. Los Alamos Natl Lab, Div Biosci, Los Alamos, NM 87545 USA. Univ Texas, SW Med Ctr, Dept Radiat Oncol, Dallas, TX 75390 USA. RP Mitra, S (reprint author), Univ Texas, Med Branch, Sealy Ctr Mol Sci, Galveston, TX 77555 USA. EM samitra@utmb.edu RI Bhakat, Kishor/C-8072-2012 FU NCI NIH HHS [R01 CA 53791, R01 CA 98664, R01 CA053791, R01 CA098664]; NIEHS NIH HHS [R01 ES 08457, R01 ES008457]; PHS HHS [P01 06676] NR 35 TC 148 Z9 157 U1 1 U2 1 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 19 PY 2005 VL 102 IS 16 BP 5739 EP 5743 DI 10.1073/pnas.0500986102 PG 5 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 918RL UT WOS:000228565200021 PM 15824325 ER PT J AU Saponjic, ZV Dimitrijevic, NM Tiede, DM Goshe, AJ Zuo, XB Chen, LX Barnard, AS Zapol, P Curtiss, L Rajh, T AF Saponjic, ZV Dimitrijevic, NM Tiede, DM Goshe, AJ Zuo, XB Chen, LX Barnard, AS Zapol, P Curtiss, L Rajh, T TI Shaping nanometer-scale architecture through surface chemistry SO ADVANCED MATERIALS LA English DT Article ID TITANIUM-OXIDE; NANOCRYSTALLINE TIO2; FORMATION MECHANISM; PHASE-STABILITY; NANOTUBES; NANOPARTICLES; DIFFRACTION; XAFS AB Scrolled nanotubes of TiO2 are found to contain a large fraction of undercoordinated surface sites that scroll layers of anatase titania in proton-deficient aqueous systems. Reversible tube-to-sheet and sheet-to-tube transitions, and associated reversible lattice transformations between quasianatase and quasirutile, are obtained, respectively, by protonation and deprotonation of undercoordinated surface sites (see Figure). C1 Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Rajh, T (reprint author), Argonne Natl Lab, Div Chem, 9700 S Cass Ave, Argonne, IL 60439 USA. EM rajh@anl.gov RI Barnard, Amanda/A-7340-2011; Zuo, Xiaobing/F-1469-2010; Zapol, Peter/G-1810-2012 OI Barnard, Amanda/0000-0002-4784-2382; Zapol, Peter/0000-0003-0570-9169 NR 21 TC 110 Z9 112 U1 1 U2 40 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 0935-9648 J9 ADV MATER JI Adv. Mater. PD APR 18 PY 2005 VL 17 IS 8 BP 965 EP + DI 10.1002/adma.200401041 PG 8 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 919EQ UT WOS:000228601500002 ER PT J AU Magbitang, T Lee, VY Miller, RD Toney, MF Lin, ZL Briber, RM Kim, HC Hedrick, JL AF Magbitang, T Lee, VY Miller, RD Toney, MF Lin, ZL Briber, RM Kim, HC Hedrick, JL TI Templating organosilicate vitrification using unimolecular self-organizing polymers: Evolution of morphology and nanoporosity development with network formation SO ADVANCED MATERIALS LA English DT Article ID LIVING RADICAL POLYMERIZATION; BLOCK-COPOLYMERS; STAR POLYMERS; MESOPOROUS SILICA; POROUS SILICA; PORE-SIZE; ASSEMBLIES; MICELLES; MACROMOLECULES; ARCHITECTURES AB Nanoporous precursor structures (see Figure) created by unimicellular star polymers in organosilicate thermosets produce morphologically controlled porous materials for semiconductor chip applications. C1 IBM Corp, Almaden Res Ctr, San Jose, CA 95120 USA. SSRL, SLAC, Menlo Pk, CA 94025 USA. Univ Maryland, Dept Mat Sci & Engn, College Pk, MD 20742 USA. RP Hedrick, JL (reprint author), IBM Corp, Almaden Res Ctr, 650 Harry Rd, San Jose, CA 95120 USA. EM Hedrick@almaden.ibm.com RI Briber, Robert/A-3588-2012 OI Briber, Robert/0000-0002-8358-5942 NR 37 TC 18 Z9 18 U1 1 U2 13 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 0935-9648 J9 ADV MATER JI Adv. Mater. PD APR 18 PY 2005 VL 17 IS 8 BP 1031 EP + DI 10.1002/adma.200400661 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 919EQ UT WOS:000228601500017 ER PT J AU Sumant, AV Grierson, DS Gerbi, JE Birrell, J Lanke, UD Auciello, O Carlisle, JA Carpick, RW AF Sumant, AV Grierson, DS Gerbi, JE Birrell, J Lanke, UD Auciello, O Carlisle, JA Carpick, RW TI Toward the ultimate tribological interface: Surface chemistry and nanotribology of ultrananocrystalline diamond SO ADVANCED MATERIALS LA English DT Article ID ATOMIC-FORCE MICROSCOPY; NANOCRYSTALLINE DIAMOND; THIN-FILMS; FRICTION; HYDROGEN; CALIBRATION; ADHESION; CONTACT; SMOOTH; PLASMA AB Ultrananocrystalline diamond (UNCD) may offer a solution to tribological failure of silicon-based micromachines because of its outstanding mechanical properties. The first measurements of manometer-scale adhesion and friction on the tribologically relevant underside of UNCD films (see Figure) are reported, revealing that the UNCD films are far less adhesive than silicon and confirming their potential for use in micro- and nanomachines. C1 Univ Wisconsin, Dept Engn Phys, Madison, WI 53706 USA. Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. Univ Saskatchewan, Dept Chem, Saskatoon, SK S7N 5C9, Canada. Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Carpick, RW (reprint author), Univ Wisconsin, Dept Engn Phys, Madison, WI 53706 USA. EM carpick@engr.wisc.edu NR 41 TC 95 Z9 95 U1 3 U2 23 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 0935-9648 J9 ADV MATER JI Adv. Mater. PD APR 18 PY 2005 VL 17 IS 8 BP 1039 EP + DI 10.1002/adma.200401264 PG 8 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 919EQ UT WOS:000228601500019 ER PT J AU Biasini, M Gann, RD Yarmoff, JA Mills, AP Pfeiffer, LN West, KW Gao, XPA Williams, BCD AF Biasini, M Gann, RD Yarmoff, JA Mills, AP Pfeiffer, LN West, KW Gao, XPA Williams, BCD TI Charging efficiency and lifetime of image-bound electrons on a dielectric surface SO APPLIED PHYSICS LETTERS LA English DT Article ID STATES; MOLECULES; FE(110) AB The surface charge generated on an Al0.24Ga0.76As/GaAs quantum well sample by electron bombardment was monitored by measuring the change in the conductivity of the channel. Upon turning off the electron bombardment the surface charge on adsorbed layers of xenon and water at 8 K decays in room. temperature darkness with a lifetime τ=0.30&PLUSMN; 0.02 s. The average charging efficiency, μ(0), defined as the ratio of the charge collected by the surface to the beam current times the charging time, is μ(0) &SIME; 0.001. Surface charging proves to be an effective method for contactless gating of field effect devices. © 2005 American Institute of Physics. C1 Univ Calif Riverside, Dept Phys, Riverside, CA 92521 USA. ENEA, I-40129 Bologna, Italy. Lucent Technol, Bell Labs, Murray Hill, NJ 07974 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Biasini, M (reprint author), Univ Calif Riverside, Dept Phys, Riverside, CA 92521 USA. NR 16 TC 4 Z9 4 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 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 18 PY 2005 VL 86 IS 16 AR 162111 DI 10.1063/1.1906314 PG 3 WC Physics, Applied SC Physics GA 925GD UT WOS:000229040300044 ER PT J AU Davila, LP Erhart, P Bringa, EM Meyers, MA Lubarda, VA Schneider, MS Becker, R Kumar, M AF Davila, LP Erhart, P Bringa, EM Meyers, MA Lubarda, VA Schneider, MS Becker, R Kumar, M TI Atomistic modeling of shock-induced void collapse in copper SO APPLIED PHYSICS LETTERS LA English DT Article ID COMPRESSED CRYSTALS; DEFECTS; SIMULATION; PRESSURE AB Nonequilibrium molecular-dynamics (MD) simulations show that shock-induced void collapse in copper occurs by emission of shear loops. These loops carry away the vacancies which comprise the void. The growth of the loops continues even after they collide and form sessile junctions, creating a hardened region around the collapsing void. The scenario seen in our simulations differs from current models that assume that prismatic loop emission is responsible for void collapse. We propose a dislocation-based model that gives excellent agreement with the stress threshold found in the MD simulations for void collapse as a function of void radius. (c) 2005 American Institute of Physics. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Tech Univ Darmstadt, Inst Mat Wissensch, D-64287 Darmstadt, Germany. Univ Calif Davis, Dept Chem Engn & Mat Sci, Davis, CA 95616 USA. Univ Calif San Diego, Dept Mech & Aerosp Engn, La Jolla, CA 92093 USA. RP Davila, LP (reprint author), Lawrence Livermore Natl Lab, POB 5508, Livermore, CA 94550 USA. EM ebringa@llnl.gov RI Bringa, Eduardo/F-8918-2011; Becker, Richard/I-1196-2013; Erhart, Paul/G-6260-2011; Meyers, Marc/A-2970-2016 OI Erhart, Paul/0000-0002-2516-6061; Meyers, Marc/0000-0003-1698-5396 NR 29 TC 58 Z9 59 U1 2 U2 26 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 18 PY 2005 VL 86 IS 16 AR 161902 DI 10.1063/1.1906307 PG 3 WC Physics, Applied SC Physics GA 925GD UT WOS:000229040300023 ER PT J AU Hetzer, MJ Strzhemechny, YM Gao, M Contreras, MA Zunger, A Brillson, LJ AF Hetzer, MJ Strzhemechny, YM Gao, M Contreras, MA Zunger, A Brillson, LJ TI Direct observation of copper depletion and potential changes at copper indium gallium diselenide grain boundaries SO APPLIED PHYSICS LETTERS LA English DT Article ID CU(IN,GA)SE-2 THIN-FILMS; SOLAR-CELLS; CRYSTAL AB We have used micro-Auger electron spectroscopy, cathodoluminescence spectroscopy, and work function measurements in copper indium gallium diselenide polycrystalline solar cell films cleaved in ultrahigh vacuum. We establish that, relative to the grain interior, the grain boundary shows (1) a Cu composition decrease, as large as a factor of two, (2) a work function decrease of up to 480 meV, and (3) no additional radiative recombination centers despite a high concentration of grain boundary (GB) defects. These results confirm theoretical predictions that (i) polar GB interfaces are stabilized by massive (similar to 50%) removal of Cu atoms, leading to (ii) a valence band offset between GB and grain interiors that (iii) repels holes from the GB, thus likely reducing GB electron-hole recombination and improving photovoltaic (and other photonic) device operation. (c) 2005 American Institute of Physics. C1 Ohio State Univ, Dept Phys, Columbus, OH 43210 USA. Ohio State Univ, Dept Elect & Comp Engn, Mat Res Ctr, Columbus, OH 43210 USA. Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Hetzer, MJ (reprint author), Ohio State Univ, Dept Phys, 174 W 18th Ave, Columbus, OH 43210 USA. EM mhetzer@pacific.mps.ohio-state.edu RI Zunger, Alex/A-6733-2013 NR 14 TC 87 Z9 88 U1 1 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 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 18 PY 2005 VL 86 IS 16 AR 162105 DI 10.1063/1.1906331 PG 3 WC Physics, Applied SC Physics GA 925GD UT WOS:000229040300038 ER PT J AU Toney, MF Borchers, JA O'Donovan, KV Majkrzak, CF Margulies, DT Fullerton, EE AF Toney, MF Borchers, JA O'Donovan, KV Majkrzak, CF Margulies, DT Fullerton, EE TI Magnetization profile in antiferromagnetically coupled recording media SO APPLIED PHYSICS LETTERS LA English DT Article ID SYNTHETIC FERRIMAGNETIC MEDIA; THERMAL-STABILITY; NEUTRON REFLECTOMETRY; 100 GB/IN(2); LAYERS; ANISOTROPY AB We report polarized neutron reflectivity (PNR) studies of antiferromagnetically coupled (AFC) magnetic recording media with the aim of understanding how the two ferromagnetic layers switch magnetization direction. The PNR measurements were conducted at applied magnetic fields from near saturation to near the coercive field of the upper layer. From the PNR spectra, we obtain the magnetization profile of the AFC media. The results verify that the lower layer is aligned antiparallel to the magnetically hard upper layer in low fields. However, the magnetization of the upper layer shows an unexpected decrease as the lower layer reverses direction, which indicates that the interaction between the upper and lower layers is more complex than previously thought. © 2005 American Institute of Physics. C1 Stanford Linear Accelerator Ctr, Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. Univ Calif Irvine, Irvine, CA USA. NIST, Ctr Neutron Res, Natl Inst Stand & Technol, Gaithersburg, MD 20899 USA. Hitachi Global Storage Technol, San Jose Res Ctr, San Jose, CA 95120 USA. RP Toney, MF (reprint author), Stanford Linear Accelerator Ctr, Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. EM mftoney@slac.stanford.edu RI Fullerton, Eric/H-8445-2013 OI Fullerton, Eric/0000-0002-4725-9509 NR 19 TC 3 Z9 3 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 18 PY 2005 VL 86 IS 16 AR 162506 DI 10.1063/1.1906300 PG 3 WC Physics, Applied SC Physics GA 925GD UT WOS:000229040300051 ER PT J AU Doonan, CJ Zhang, LM Young, CG George, SJ Deb, A Bergmann, U George, GN Cramer, SP AF Doonan, CJ Zhang, LM Young, CG George, SJ Deb, A Bergmann, U George, GN Cramer, SP TI High-resolution X-ray emission spectroscopy of molybdenum compounds SO INORGANIC CHEMISTRY LA English DT Article ID TRANSITION; SPECTRA; 1S AB High-resolution molybdenum K-edge X-ray emission spectroscopy (XES) was used to characterize the K beta(4) and K beta '' valence-to-core transition bands in the oxo-Mo compounds K2MoO4, MOO(S-2-CNEt2)(2), and MoO2(S2CNEt2)(2). The K beta(4) and K beta '' emission bands are attributed to transitions to the Mo 1 s core hole from molecular orbitals possessing primarily molybdenum 4d and oxygen 2s character, respectively. This communication describes the first assignment of the K beta '' interatomic band in the emission spectra of molybdenum complexes. Additionally, the K beta(4) and K beta '' transitions are shown to be sensitive to the chemical and electronic environment of the metal, suggesting that high-resolution XES might be an effective method for elucidating the nature of the molybdenum centers in biological systems. C1 Stanford Linear Accelerator Ctr, Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. Univ Saskatchewan, Dept Geol Sci, Saskatoon, SK S7N 5E2, Canada. Univ Melbourne, Sch Chem, Melbourne, Vic 3010, Australia. Lawrence Berkeley Natl Lab, Div Phys Biosci, Berkeley, CA 94720 USA. Univ Calif Davis, Dept Appl Sci, Davis, CA 95616 USA. RP George, SJ (reprint author), Stanford Linear Accelerator Ctr, Stanford Synchrotron Radiat Lab, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA. EM bergmann@slac.stanford.edu; g.george@usask.ca; cramer@batnet.com RI George, Graham/E-3290-2013; ID, BioCAT/D-2459-2012; Deb, Aniruddha/H-7529-2016 OI Deb, Aniruddha/0000-0002-0331-9709 FU NCRR NIH HHS [RR-03630]; NIGMS NIH HHS [GM65440, GM57375] NR 11 TC 11 Z9 11 U1 0 U2 25 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 18 PY 2005 VL 44 IS 8 BP 2579 EP 2581 DI 10.1021/ic050129f PG 3 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 916GW UT WOS:000228374400005 PM 15819540 ER PT J AU Fallon, P AF Fallon, P TI From superdeformations to hyperdeformations SO NUCLEAR PHYSICS A LA English DT Article; Proceedings Paper CT 22nd International Nuclear Physics Conference (INPC 2004) CY JUN 27-JUL 02, 2004 CL Chalmers Univ Technol, Subatom Phys Grp, Gothenburg, SWEDEN SP Int Union Pure & Appl Phys, Goteborg Univ HO Chalmers Univ Technol, Subatom Phys Grp ID ANOMALOUSLY SHORT PERIOD; SPONTANEOUS FISSION; NUCLEI; BANDS C1 Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA. RP Fallon, P (reprint author), Lawrence Berkeley Natl Lab, Div Nucl Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA. NR 29 TC 3 Z9 3 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 18 PY 2005 VL 752 BP 231C EP 240C DI 10.1016/j.nuclphysa.2005.02.148 PG 10 WC Physics, Nuclear SC Physics GA 916GT UT WOS:000228374100029 ER PT J AU Radford, DC Baktash, C Barton, CJ Batchelder, J Beene, JR Bingham, CR Caprio, MA Danchev, M Fuentes, B Galindo-Uribarri, A del Campo, JG Gross, CJ Halbert, ML Hartley, DJ Hausladen, P Hwang, JK Krolas, W Larochelle, Y Liang, JF Mueller, PE Padilla, E Pavan, J Piechaczek, A Shapira, D Stracener, DW Varner, RL Woehr, A Yu, CH Zamfir, NV AF Radford, DC Baktash, C Barton, CJ Batchelder, J Beene, JR Bingham, CR Caprio, MA Danchev, M Fuentes, B Galindo-Uribarri, A del Campo, JG Gross, CJ Halbert, ML Hartley, DJ Hausladen, P Hwang, JK Krolas, W Larochelle, Y Liang, JF Mueller, PE Padilla, E Pavan, J Piechaczek, A Shapira, D Stracener, DW Varner, RL Woehr, A Yu, CH Zamfir, NV TI Coulomb excitation and transfer reactions with rare neutron-rich isotopes SO NUCLEAR PHYSICS A LA English DT Article; Proceedings Paper CT 22nd International Nuclear Physics Conference (INPC 2004) CY JUN 27-JUL 02, 2004 CL Chalmers Univ Technol, Subatom Phys Grp, Gothenburg, SWEDEN SP Int Union Pure & Appl Phys, Goteborg Univ HO Chalmers Univ Technol, Subatom Phys Grp ID FACILITY AB Neutron-rich radioactive ion beams available from the HRIBF allow a variety of measurements around the (132)Sn region, including Coulomb excitation, fusion-evaporation, and neutron transfer. The B(E2; 0(+) -> 2(+)) value for first 2(+) excited states of even-even neutron-rich (132-136)Te and (126-134) Sn have been measured by Coulomb excitation in inverse kinematics. The results are discussed in terms of the shell model and the quasiparticle random phase approximation. Neutron transfer onto a (134)Te beam, from (9)Be and (13)C targets to populate single-particle states in (135)Te, has also been studied. Gamma rays from the (13)C((134) Te, (12)C) reaction were used to identify the vi(13/2) state in (135)Te, at an energy of 2109 keV. These and other results, and plans for future experiments with these neutron-rich beams, are presented. C1 Yale Univ, New Haven, CT 06520 USA. Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. Oak Ridge Associated Univ, UNIRIB, Oak Ridge, TN 37831 USA. Univ Tennessee, Knoxville, TN 37996 USA. Univ Nacl Autonoma Mexico, Fac Ciencias, Mexico City 04510, DF, Mexico. Vanderbilt Univ, Nashville, TN 37235 USA. Univ Nacl Autonoma Mexico, Inst Ciencias Nucl, Mexico City 04510, DF, Mexico. Louisiana State Univ, Baton Rouge, LA 70803 USA. RP Radford, DC (reprint author), Yale Univ, New Haven, CT 06520 USA. RI Zamfir, Nicolae Victor/F-2544-2011; Krolas, Wojciech/N-9391-2013; radford, David/A-3928-2015 NR 13 TC 34 Z9 34 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 18 PY 2005 VL 752 BP 264C EP 272C DI 10.1016/j.nuclphysa.2005.02.040 PG 9 WC Physics, Nuclear SC Physics GA 916GT UT WOS:000228374100033 ER PT J AU Dean, DJ Gour, JR Hagen, G Hjorth-Jensen, M Kowalski, K Papenbrock, T Piecuch, P Wloch, M AF Dean, DJ Gour, JR Hagen, G Hjorth-Jensen, M Kowalski, K Papenbrock, T Piecuch, P Wloch, M TI Nuclear structure calculations with coupled cluster methods from quantum chemistry SO NUCLEAR PHYSICS A LA English DT Article; Proceedings Paper CT 22nd International Nuclear Physics Conference (INPC 2004) CY JUN 27-JUL 02, 2004 CL Chalmers Univ Technol, Subatom Phys Grp, Gothenburg, SWEDEN SP Int Union Pure & Appl Phys, Goteborg Univ HO Chalmers Univ Technol, Subatom Phys Grp ID EXCITED ELECTRONIC STATES; EQUATIONS; MOMENTS; SYSTEMS; FIELD AB We present several coupled-cluster calculations of ground and excited states of (4)He and 160 employing methods from quantum chemistry. A comparison of coupled cluster results with the results of exact diagonalization of the hamiltonian in the same model space and other truncated shell-model calculations shows that the quantum chemistry inspired coupled cluster approximations provide an excellent description of ground and excited states of nuclei, with much less computational effort than traditional large-scale shell-model approaches. Unless truncations are made, for nuclei like (16)O, full-fledged shell-model calculations with four or more major shells are not possible. However, these and even larger systems can be studied with the coupled cluster methods due to the polynomial rather than factorial scaling inherent in standard shell-model studies. This makes the coupled cluster approaches, developed in quantum chemistry, viable methods for describing weakly bound systems of interest for future nuclear facilities. C1 Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. Univ Oslo, Ctr Math Appl, N-0316 Oslo, Norway. Michigan State Univ, Dept Chem, E Lansing, MI 48824 USA. Univ Oslo, Dept Phys, N-0316 Oslo, Norway. CERN, PH Div, CH-1211 Geneva, Switzerland. Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. RP Dean, DJ (reprint author), Oak Ridge Natl Lab, Div Phys, POB 2008, Oak Ridge, TN 37831 USA. RI Hjorth-Jensen, Morten/B-1417-2008; Hagen, Gaute/I-6146-2012; Piecuch, Piotr/C-4435-2011; OI Hagen, Gaute/0000-0001-6019-1687; Dean, David/0000-0002-5688-703X; Papenbrock, Thomas/0000-0001-8733-2849 NR 32 TC 6 Z9 6 U1 0 U2 3 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 18 PY 2005 VL 752 BP 299C EP 308C DI 10.1016/j.nuclphysa.2005.02.041 PG 10 WC Physics, Nuclear SC Physics GA 916GT UT WOS:000228374100037 ER PT J AU Michel, N Nazarewicz, W Okolowicz, J Ploszajczak, M AF Michel, N Nazarewicz, W Okolowicz, J Ploszajczak, M TI Shell model description of weakly bound nuclei SO NUCLEAR PHYSICS A LA English DT Article; Proceedings Paper CT 22nd International Nuclear Physics Conference (INPC 2004) CY JUN 27-JUL 02, 2004 CL Chalmers Univ Technol, Subatom Phys Grp, Goteborg, SWEDEN SP Int Union Pure & Appl Phys, Goteborg Univ HO Chalmers Univ Technol, Subatom Phys Grp ID EXPANSIONS; CONTINUUM; STATES; HALOS AB Structure of weakly bound/unbound nuclei close to particle drip lines is different from that around the valley of beta stability. This short review discusses the recent progress in modeling these exotic nuclei using an open quantum system formalism. The generic features of effective interactions in loosely bound systems are studied both in the analytically soluble model and in the realistic shell model in the complex k-plane (the so-called Gamow Shell Model) which uses a complex Berggren ensemble representing bound single-particle states, single-particle resonances, and non-resonant scattering states. In this formalism, we shall discuss the spectra of lithium isotopes and spin-orbit effects in unbound He-5,He-7 nuclei. C1 Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. Joint Inst Heavy Ion Res, Oak Ridge, TN 37831 USA. Univ Warsaw, Inst Theoret Phys, PL-00681 Warsaw, Poland. CEA, DSM, CNRS, GANIL,IN2P3, F-14076 Caen, France. Inst Nucl Phys, PL-31342 Krakow, Poland. RP Michel, N (reprint author), Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. NR 30 TC 9 Z9 9 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 18 PY 2005 VL 752 BP 335C EP 344C DI 10.1016/j.nuclphysa.2005.02.042 PG 10 WC Physics, Nuclear SC Physics GA 916GT UT WOS:000228374100042 ER PT J AU McLerran, L AF McLerran, L TI The color glass condensate and RHIC. SO NUCLEAR PHYSICS A LA English DT Article; Proceedings Paper CT 22nd International Nuclear Physics Conference (INPC 2004) CY JUN 27-JUL 02, 2004 CL Chalmers Univ Technol, Subatom Phys Grp, Gothenburg, SWEDEN SP Int Union Pure & Appl Phys, Goteborg Univ HO Chalmers Univ Technol, Subatom Phys Grp ID NUCLEAR COLLISIONS; GLUON; SATURATION; SINGULARITY; MODEL; QCD AB I discuss the theoretical motivation for the Color Glass Condensate. I also present experimental evidence which suggests that such matter has been produced at RHIC. C1 Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP McLerran, L (reprint author), Brookhaven Natl Lab, Dept Phys, POB 5000, Upton, NY 11973 USA. NR 19 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 18 PY 2005 VL 752 BP 355C EP 371C DI 10.1016/j.nuclphysa.2005.02.145 PG 17 WC Physics, Nuclear SC Physics GA 916GT UT WOS:000228374100045 ER PT J AU Morrison, D AF Morrison, D CA PHENIX Collaboration TI Transverse momentum phenomenology as a probe of RHIC collisions SO NUCLEAR PHYSICS A LA English DT Article; Proceedings Paper CT 22nd International Nuclear Physics Conference (INPC 2004) CY JUN 27-JUL 02, 2004 CL Chalmers Univ Technol, Subatom Phys Grp, Gothenburg, SWEDEN SP Int Union Pure & Appl Phys, Goteborg Univ HO Chalmers Univ Technol, Subatom Phys Grp C1 Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Morrison, D (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. NR 10 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 18 PY 2005 VL 752 BP 376C EP 383C DI 10.1016/j.nuclphysa.2005.02.143 PG 8 WC Physics, Nuclear SC Physics GA 916GT UT WOS:000228374100047 ER PT J AU Randrup, J AF Randrup, J TI Phase transitions from intermediate to relativistic energies SO NUCLEAR PHYSICS A LA English DT Article; Proceedings Paper CT 22nd International Nuclear Physics Conference (INPC 2004) CY JUN 27-JUL 02, 2004 CL Chalmers Univ Technol, Subatom Phys Grp, Gothenburg, SWEDEN SP Int Union Pure & Appl Phys, Goteborg Univ HO Chalmers Univ Technol, Subatom Phys Grp ID SPINODAL DECOMPOSITION AB We summarize recent progress in utilizing the spinodal decomposition mechanism to probe the liquid-gas phase transition in nuclear matter, which occurs at subsaturation densities and moderate temperatures, and then discuss the prospects for exploiting this mechanism as a probe of the transition from a quark-gluon plasma to a hadron gas. C1 Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Randrup, J (reprint author), Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. NR 6 TC 2 Z9 2 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 18 PY 2005 VL 752 BP 384C EP 393C DI 10.1016/j.nuclphysa.2005.02.093 PG 10 WC Physics, Nuclear SC Physics GA 916GT UT WOS:000228374100048 ER PT J AU Appelshauser, H Sako, H AF Appelshauser, H Sako, H CA CERES Collaboration TI Event-by-event fluctuations at SPS SO NUCLEAR PHYSICS A LA English DT Article; Proceedings Paper CT 22nd International Nuclear Physics Conference (INPC 2004) CY JUN 27-JUL 02, 2004 CL Chalmers Univ Technol, Subatom Phys Grp, Gothenburg, SWEDEN SP Int Union Pure & Appl Phys, Goteborg Univ HO Chalmers Univ Technol, Subatom Phys Grp AB Results on event-by-event fluctuations of the mean transverse momentum and net charge in Pb-Au collisions, measured by the CERES Collaboration at CERN-SPS, are presented. We discuss the centrality and beam energy dependence and compare our data to cascade calculations. C1 Acad Sci Czech Republic, Inst Nucl Phys, CZ-25068 Rez, Czech Republic. GSI Darmstadt, D-64291 Darmstadt, Germany. Joint Inst Nucl Res, Dubna 141980, Russia. Weizmann Inst Sci, IL-76100 Rehovot, Israel. Heidelberg Univ, Inst Phys, D-69120 Heidelberg, Germany. SUNY Stony Brook, Stony Brook, NY 11794 USA. CERN, CH-1211 Geneva, Switzerland. Brookhaven Natl Lab, Upton, NY 11973 USA. Univ Munster, Inst Kernphys, D-48149 Munster, Germany. Max Planck Inst Kernphys, D-69117 Heidelberg, Germany. RP Appelshauser, H (reprint author), Acad Sci Czech Republic, Inst Nucl Phys, CZ-25068 Rez, Czech Republic. OI Maas, Axel/0000-0002-4621-2151 NR 17 TC 11 Z9 11 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 18 PY 2005 VL 752 BP 394C EP 397C DI 10.1016/j.nuclphysa.2005.02.142 PG 4 WC Physics, Nuclear SC Physics GA 916GT UT WOS:000228374100049 ER PT J AU Steinberg, PA AF Steinberg, PA TI Bulk dynamics in heavy ion collisions SO NUCLEAR PHYSICS A LA English DT Article; Proceedings Paper CT 22nd International Nuclear Physics Conference (INPC 2004) CY JUN 27-JUL 02, 2004 CL Chalmers Univ Technol, Subatom Phys Grp, Goteborg, SWEDEN SP Int Union Pure & Appl Phys, Goteborg Univ HO Chalmers Univ Technol, Subatom Phys Grp ID HADRONS; QCD AB The features of heavy ion collisions that suggest the relevance of collective dynamics, as opposed to mere superpositions of nucleon-nucleon or even parton-parton collisions, are reviewed. The surprise of these studies is that bulk observables are far simpler than typical dynamical models of nucleus-nucleus collisions would imply. These features are shown to have a natural interpretation in terms of statistical-hydro dynamical models. The relevance of hydrodynamics to heavy ion collisions, coupled with the various similarities of the heavy ion data with that of more elementary collisions, raises very basic questions about its relevance to smaller systems. C1 Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Steinberg, PA (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. NR 35 TC 30 Z9 33 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 18 PY 2005 VL 752 BP 423C EP 432C DI 10.1016/j.nuclphysa.2005.02.139 PG 10 WC Physics, Nuclear SC Physics GA 916GT UT WOS:000228374100053 ER PT J AU Vogt, R AF Vogt, R TI Heavy ion physics at the LHC SO NUCLEAR PHYSICS A LA English DT Article; Proceedings Paper CT 22nd International Nuclear Physics Conference (INPC 2004) CY JUN 27-JUL 02, 2004 CL Chalmers Univ Technol, Subatom Phys Grp, Goteborg, SWEDEN SP Int Union Pure & Appl Phys, Goteborg Univ HO Chalmers Univ Technol, Subatom Phys Grp ID ENERGY NUCLEAR COLLISIONS; QUARK-GLUON PLASMA; J-PSI-SUPPRESSION; J/PSI-SUPPRESSION; MATTER; ENVIRONMENT; OPACITY; CHARM; RATIO C1 Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Univ Calif Davis, Dept Phys, Davis, CA USA. RP Vogt, R (reprint author), Lawrence Berkeley Lab, Berkeley, CA 94720 USA. NR 33 TC 3 Z9 3 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 18 PY 2005 VL 752 BP 447C EP 456C DI 10.1016/j.nuclphysa.2005.02.050 PG 10 WC Physics, Nuclear SC Physics GA 916GT UT WOS:000228374100056 ER PT J AU Xu, N AF Xu, N TI Collective expansion in high-energy nuclear collisions - The search for the partonic EOS at RHIC SO NUCLEAR PHYSICS A LA English DT Article; Proceedings Paper CT 22nd International Nuclear Physics Conference (INPC 2004) CY JUN 27-JUL 02, 2004 CL Chalmers Univ Technol, Subatom Phys Grp, Gothenburg, SWEDEN SP Int Union Pure & Appl Phys, Goteborg Univ HO Chalmers Univ Technol, Subatom Phys Grp ID HEAVY-ION COLLISIONS; LARGE TRANSVERSE-MOMENTUM; HADRON FREEZE-OUT; AU+AU COLLISIONS; ELLIPTIC FLOW; PB COLLISIONS; P(P)OVER-BAR COLLISIONS; FINITE-TEMPERATURE; ROOT-S(NN)=130 GEV; LATTICE QCD AB We discuss recent results from RHIC. Issues of energy loss and partonic collectivity from Au + An collisions at root S-NN = 200 GeV are the focus of this paper. We propose a path toward the understanding of the partonic Equation of State in high energy nuclear collisions. C1 Lawrence Berkely Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA. RP Xu, N (reprint author), Lawrence Berkely Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA. NR 90 TC 8 Z9 8 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 18 PY 2005 VL 751 BP 109C EP 126C DI 10.1016/j.nuclphysa.205.02.103 PG 18 WC Physics, Nuclear SC Physics GA 916GR UT WOS:000228373900006 ER PT J AU Janssens, RVF AF Janssens, RVF TI Nuclear structure at the limits: Continued exploration with Gammasphere SO NUCLEAR PHYSICS A LA English DT Article; Proceedings Paper CT 22nd International Nuclear Physics Conference (INPC 2004) CY JUN 27-JUL 02, 2004 CL Chalmers Univ Technol, Subatom Phys Grp, Gothenburg, SWEDEN SP Int Union Pure & Appl Phys, Goteborg Univ HO Chalmers Univ Technol, Subatom Phys Grp ID BANDS; DY-152 AB More than a decade after the large gamma-ray detector arrays came into operation, their impact is as large as ever. A few examples from Gammasphere are discussed here. They illustrate that the arrays make substantial contributions, not only in areas where they were expected to do so such as studies of nuclei at high angular momentum, but also in other domains such as nucleosynthesis, for example. C1 Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. RP Janssens, RVF (reprint author), Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. NR 21 TC 0 Z9 0 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 18 PY 2005 VL 751 BP 244C EP 247C DI 10.1016/j.nuclphysa.2005.02.008 PG 4 WC Physics, Nuclear SC Physics GA 916GR UT WOS:000228373900015 ER PT J AU Pieper, SC AF Pieper, SC TI Quantum Monte Carlo calculations of light nuclei SO NUCLEAR PHYSICS A LA English DT Article; Proceedings Paper CT 22nd International Nuclear Physics Conference (INPC 2004) CY JUN 27-JUL 02, 2004 CL Chalmers Univ Technol, Subatom Phys Grp, Gothenburg, SWEDEN SP Int Union Pure & Appl Phys, Goteborg Univ HO Chalmers Univ Technol, Subatom Phys Grp ID SCATTERING DATA AB Variational Monte Carlo and Green's function Monte Carlo are powerful tools for Calculations of properties of light nuclei using realistic two-nucleon (NN) and three-nucleon (NNN) potentials. Recently the GFMC method has been extended to multiple states with the same quantum numbers. The combination of the Argonne nu(18) two-nucleon and Illinois-2 three-nucleon potentials gives a good prediction of many energies of nuclei up to C-12. A number of other recent results are presented: comparison of binding energies with those obtained by the no-core shell model; the incompatibility of modern nuclear Hamiltonians with a bound tetra-neutron-, difficulties in computing RMS radii of very weakly bound nuclei, such as He-6; center-of-mass effects on spectroscopic factors; and the possible use of an artificial external well in calculations of neutron-rich isotopes. C1 Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. RP Argonne Natl Lab, Div Phys, 9700 S Cass Ave, Argonne, IL 60439 USA. NR 21 TC 102 Z9 102 U1 0 U2 2 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 18 PY 2005 VL 751 BP 516C EP 532C DI 10.1016/j.nuclphysa.2005.02.018 PG 17 WC Physics, Nuclear SC Physics GA 916GR UT WOS:000228373900032 ER PT J AU Chang, SH Gray, SK Schatz, GC AF Chang, SH Gray, SK Schatz, GC TI Surface plasmon generation and light transmission by isolated nanoholes and arrays of nanoholes in thin metal films SO OPTICS EXPRESS LA English DT Article ID SUBWAVELENGTH HOLE ARRAYS; OPTICAL-TRANSMISSION; NANOMETRIC HOLES; DIFFRACTION; SHIFTS; FIELD AB Extensive 3-D finite-difference time-domain simulations are carried out to elucidate the nature of surface plasmon polaritons (SPPs) and localized surface plasmon polaritons (LSPs) generated by nanoscale holes in thin metallic films interacting with light. Both isolated nanoholes and square arrays of nanoholes in gold films are considered. For isolated nanoholes, we expand on an earlier discussion of Yin et al. [Appl. Phys. Lett. 85, 467469 ( 2004)] on the origins of fringe patterns in the film and the role of near-field scanning optical microscope probe interactions. The associated light transmission of a single nanohole is enhanced when a LSP excitation of the nanohole itself is excited. Periodic arrays of nanoholes exhibit more complex behavior, with light transmission peaks exhibiting distinct minima and maxima that can be very well described with Fano lineshape models. This behavior is correlated with the coupling of SPP Bloch waves and more directly transmitted waves through the holes. (C) 2005 Optical Society of America. C1 Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. RP Argonne Natl Lab, Div Chem, 9700 S Cass Ave, Argonne, IL 60439 USA. EM s-chang4@northwestern.edu; gray@tcg.anl.gov; schatz@northwestern.edu RI Chang, Gilbert/B-5437-2012 OI Chang, Gilbert/0000-0002-2729-4905 NR 33 TC 337 Z9 343 U1 10 U2 148 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1094-4087 J9 OPT EXPRESS JI Opt. Express PD APR 18 PY 2005 VL 13 IS 8 BP 3150 EP 3165 DI 10.1364/OPEX.13.003150 PG 16 WC Optics SC Optics GA 918DX UT WOS:000228520800042 PM 19495214 ER PT J AU Elliott, HA McComas, DJ Schwadron, NA Gosling, JT Skoug, RM Gloeckler, G Zurbuchen, TH AF Elliott, HA McComas, DJ Schwadron, NA Gosling, JT Skoug, RM Gloeckler, G Zurbuchen, TH TI An improved expected temperature formula for identifying interplanetary coronal mass ejections SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS LA English DT Article ID SOLAR-WIND; MONITOR; VELA-3; CYCLE AB In this study we compare nearly 5 years of solar wind proton speed and temperature measurements from the Solar Wind Electron Proton Alpha Monitor (SWEPAM) on the Advanced Composition Explorer (ACE) to derive an improved expected temperature formula to identify interplanetary coronal mass ejections (ICMEs). Anomalously low proton temperatures have long been associated with ICMEs. When transient ICMEs are not present, the solar wind speed and temperature are highly correlated, and previous studies have derived fits to these measurements. Using these fits, an expected temperature is determined from the solar wind speed. Anomalously low temperatures have been identified as times when the ratio of the measured to expected temperature is below 0.5. In this study we remove ICMEs before fitting the remaining data. Fast and slow parcels in the solar wind interact and cause compressions and rarefactions as the solar wind moves away from the Sun. Since such interaction causes the speed and temperature of these parcels to change, we separately fit compression and rarefactions. We find that the expected temperature formula derived in this way provides a better way of identifying ICMEs than previous formulas, particularly in compression regions. C1 SW Res Inst, San Antonio, TX 78228 USA. Los Alamos Natl Lab, Grp ISR 1, Los Alamos, NM 87545 USA. Univ Michigan, Dept Atmospher Ocean & Space Sci, Ann Arbor, MI 48109 USA. Univ Maryland, Dept Phys, College Pk, MD 20724 USA. RP Elliott, HA (reprint author), SW Res Inst, PO Drawer 28510, San Antonio, TX 78228 USA. EM helliott@swri.edu NR 22 TC 15 Z9 15 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 16 PY 2005 VL 110 IS A4 AR A04103 DI 10.1029/2004JA010794 PG 6 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 917RC UT WOS:000228481600002 ER PT J AU Rucker, VC Havenstrite, KL Herr, AE AF Rucker, VC Havenstrite, KL Herr, AE TI Antibody microarrays for native toxin detection SO ANALYTICAL BIOCHEMISTRY LA English DT Article DE array; immunoassay; anthrax; SEB; tetanus; cholera; toxin; biosensor ID STAPHYLOCOCCAL-ENTEROTOXIN-B; BIOLOGICAL THREAT AGENTS; ARRAY BIOSENSOR; PROTEIN; IDENTIFICATION; TECHNOLOGY; ASSAY; IMMUNOASSAY; SENSOR AB We have developed antibody-based microarray techniques for the multiplexed detection of cholera toxin beta-subunit, diphtheria toxin, anthrax lethal factor and protective antigen, Staphylococcus aurelts enterotoxin B, and tetanus toxin C fragment in spiked samples. Two detection schemes were investigated: (i) a direct assay in which fluorescently labeled toxins were captured directly by the antibody array and (ii) it competition assay that employed unlabeled toxins as reporters for the quantification of native toxin in solution. In the direct assay, fluorescence measured at each array element is correlated with labeled toxin concentration to yield baseline binding information (Langmuir isotherms and affinity constants). Extending front the direct assay, the competition assay yields information on the presence, identity, and concentration of toxins. A significant advantage of the competition assay over reported profiling assays is the minimal sample preparation required prior to analysis because the competition assay obviates the need to fluorescently label native proteins in the sample of interest. Sigmoidal calibration curves and detection limits were established for both assay formats. Although the sensitivity of the direct assay is superior to that of the competition assay, detection limits for unmodified toxins in the competition assay are comparable to values reported previously for sandwich-format immunoassays of antibodies arrayed on planar substrates. As a demonstration of the potential of the competition assay for unlabeled toxin detection, we conclude with a straightforward multiplexed assay for the differentiation and identification of both native S. aureus enterotoxin B and tetanus toxin C fragment in spiked dilute serum samples. (c) 2005 Elsevier Inc. All rights reserved. C1 Sandia Natl Labs, Biosyst Res Dept, Livermore, CA 94551 USA. RP Herr, AE (reprint author), Sandia Natl Labs, Biosyst Res Dept, Livermore, CA 94551 USA. EM aeherr@sandia.gov NR 35 TC 71 Z9 76 U1 0 U2 20 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0003-2697 J9 ANAL BIOCHEM JI Anal. Biochem. PD APR 15 PY 2005 VL 339 IS 2 BP 262 EP 270 DI 10.1016/j.ab.2005.01.030 PG 9 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA 913YX UT WOS:000228192700010 PM 15797567 ER PT J AU Willse, A Belcher, AM Preti, G Wahl, JH Thresher, M Yang, P Yamazaki, K Beauchamp, GK AF Willse, A Belcher, AM Preti, G Wahl, JH Thresher, M Yang, P Yamazaki, K Beauchamp, GK TI Identification of major histocompatibility complex-regulated body odorants by statistical analysis of a comparative gas chromatography/mass spectrometry experiment SO ANALYTICAL CHEMISTRY LA English DT Article ID MASS SPECTROMETRY; GENE-EXPRESSION; MOUSE URINE; DISCOVERY; CANCER; PHEROMONES; STRATEGY; SIGNALS; SAMPLES AB This paper examines the application of gas chromatography/mass spectrometry (GC/MS) in a comparative experiment to identify volatile compounds from urine that differ in concentration between two groups of inbred mice. A complex mixture might comprise several hundred or even thousands of volatile compounds. Because their number and location in a chromatogram are generally unknown, and because components overlap in populous chromatograms, the statistical problems offer significant challenges beyond traditional two-group screening procedures. We describe a statistical procedure to compare two-dimensional GC/MS profiles between groups, which entails (1) signal processing, baseline correction, and peak detection in single ion chromatograms; (2) aligning chromatograms in time; (3) normalizing differences in overall signal intensities; and (4) detecting chromatographic regions that differ between groups. In an application to chemosignaling, we detect differences in GC/MS chromatograms of ether-extracted urine collected from two inbred groups of mice that differ only in genes of the major histocompatibility complex (MHC). Several dozen MHC-regulated compounds are found, including two known mouse pheromones, 2,5-dimethylpyrazine and 2-sec-butyl-4,5-dihydrothiazole. C1 Pacific NW Natl Lab, Richland, WA 99354 USA. Monell Chem Senses Ctr, Philadelphia, PA 19104 USA. Univ Penn, Sch Med, Dept Dermatol, Philadelphia, PA 19104 USA. RP Willse, A (reprint author), Pacific NW Natl Lab, 902 Batelle Blvd, Richland, WA 99354 USA. EM Alan.Willse@pnl.gov NR 32 TC 47 Z9 47 U1 1 U2 6 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 2005 VL 77 IS 8 BP 2348 EP 2361 DI 10.1021/ac048711t PG 14 WC Chemistry, Analytical SC Chemistry GA 919FZ UT WOS:000228605100010 PM 15828767 ER PT J AU Tabb, DL Narasimhan, C Strader, MB Hettich, RL AF Tabb, DL Narasimhan, C Strader, MB Hettich, RL TI DBDigger: Reorganized proteomic database identification that improves flexibility and speed SO ANALYTICAL CHEMISTRY LA English DT Article ID TANDEM MASS-SPECTRA; PROTEIN IDENTIFICATION; RHODOPSEUDOMONAS-PALUSTRIS; SEQUENCE DATABASES; SPECTROMETRY DATA; PEPTIDES; SEARCH; VALIDATION; ALGORITHM; MS/MS AB Database search identification algorithms, such as Sequest and Mascot, constitute powerful enablers for proteomic tandem mass spectrometry. We introduce DBDigger, an algorithm that reorganizes the database identification process to remove a problematic bottleneck. Typically such algorithms determine which candidate sequences can be compared to each spectrum. Instead, DBDigger determines which spectra can be compared to each candidate sequence, enabling the software to generate candidate sequences only once for each HPLC separation rather than for each spectrum. This reorganization also reduces the number of times a spectrum must be predicted for a particular candidate sequence and charge state. As a result, DBDigger can accelerate some database searches by more than an order of magnitude. In addition, the software offers features to reduce the performance degradation introduced by posttranslational modification (PTM) searching. DBDigger allows researchers to specify the sequence context in which each PTM is possible. In the case of CNBr digests, for example, modified methionine residues can be limited to occur only at the C-termini of peptides. Use of "context-dependent" PTM searching reduces the performance penalty relative to traditional PTM searching. We characterize the performance possible with DBDigger, showcasing MASPIC, a new statistical scorer. We describe the implementation of these innovations in the hope that other researchers will employ them for rapid and highly flexible proteomic database search. C1 Oak Ridge Natl Lab, Div Life Sci, Oak Ridge, TN 37831 USA. Univ Tennessee, ORNL Grad Sch, Oak Ridge, TN 37830 USA. Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Tabb, DL (reprint author), Oak Ridge Natl Lab, Div Life Sci, Oak Ridge, TN 37831 USA. EM tabbdl@ornl.gov RI Hettich, Robert/N-1458-2016; OI Hettich, Robert/0000-0001-7708-786X; Tabb, David/0000-0001-7223-578X NR 34 TC 44 Z9 44 U1 0 U2 2 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 2005 VL 77 IS 8 BP 2464 EP 2474 DI 10.1021/ac0487000 PG 11 WC Chemistry, Analytical SC Chemistry GA 919FZ UT WOS:000228605100025 PM 15828782 ER PT J AU Kim, HJ Guiochon, G AF Kim, HJ Guiochon, G TI Thermodynamic studies of the solvent effects in chromatography on molecularly imprinted polymers. 3. Nature of the organic mobile phase SO ANALYTICAL CHEMISTRY LA English DT Article ID ADSORPTION ENERGY-DISTRIBUTIONS; EXPECTATION-MAXIMIZATION; MODIFIER; BINDING AB Experimental isotherm data of the Fmoc-tryptophan (Fmoc-Trp) enantiomers were measured by frontal analysis on a Fmoc-L-Trp imprinted polymer, using different organic mobile phases, in a wide concentration range. The nonlinear regression of the data and the independent calculation of the affinity energy distributions of the two enantiomers allowed the selection of the isotherm model and the determination of the isotherm parameters. The organic solvents studied were acetonitrile (MeCN), methylene chloride, chloroform, and tetrahydrofuran (THF), all in the presence of the same concentration of acetic acid, used as an organic modifier. It was found that the highest overall affinity and enantiomeric selectivity were obtained in MeCN, which is also the solvent used in the polymerization. In the other solvents, the overall affinity decreases with increasing hydrogen-bonding ability of the solvents but not the enantiomer selectivity. In MeCN, three types of adsorption sites coexist for the two enantiomers on the MIP. The highest energy sites for Fmoc-L-Trp in MeCN are inactive in CH2Cl2, CHCl3, and THF, and only two types of sites were identified in these solvents. Increasing the acetic acid concentration from 0.2 to 0.9 M causes a large decrease in the association constant of the highest energy sites in CH2Cl2, CHCl3, and THF but not in MeCN. The overall affinity of Fmoc-L-trp in CH2Cl2, CHCl3, and THF is dominated by adsorption on the lowest energy sites, the most abundant ones. In contrast, in MeCN, the overall, affinity of Fmoc-L-Trp is dominated by adsorption on the highest energy sites, the least abundant sites. In CH2Cl2, CHCl3, and THF, the number of each type of sites increases with decreasing hydrogen-bonding ability of the solvents while the association constant of the corresponding sites does not change significantly. 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. NR 17 TC 30 Z9 30 U1 0 U2 4 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 2005 VL 77 IS 8 BP 2496 EP 2504 DI 10.1021/ac040171c PG 9 WC Chemistry, Analytical SC Chemistry GA 919FZ UT WOS:000228605100029 PM 15828786 ER PT J AU Lister, TE Pinhero, PJ AF Lister, TE Pinhero, PJ TI Microelectrode array microscopy: Investigation of dynamic behavior of localized corrosion at type 304 stainless steel surfaces SO ANALYTICAL CHEMISTRY LA English DT Article ID SCANNING ELECTROCHEMICAL MICROSCOPY; OXIDE-FILMS; IMPEDANCE SPECTROSCOPY; PITTING CORROSION; STAINLESS-STEELS; TITANIUM; SITES; DISSOLUTION; INCLUSIONS; INITIATION AB Scanning electrochemical microscopy (SECM) and a recently developed microelectrode array microscope have been used to study localized corrosion and electron-transfer characteristics of native oxide layers of type 304 stainless steels. The I(-)/I(3)(-) redox couple was employed as a mediator and allowed sensitive detection of oxide breakdown events. In solutions containing I(-), a signal at the microelectrode was observed on type 304 stainless steel surfaces at active pitting corrosion sites. Under conditions where pitting corrosion occurs, SECM was used to track the temporal characteristics of the reaction in a spatial manner. However, because of the time required to create an image, much of the temporal information was not obtained. To improve the temporal resolution of the measurement, microelectrode array microscopy (MEAM) was developed as a parallel method of performing SECM. The demonstration shown reveals the potential of MEAM for analysis of surface chemistry on temporal and spatial domains. C1 Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Lister, TE (reprint author), Idaho Natl Lab, POB 1625, Idaho Falls, ID 83415 USA. EM listte@inel.gov NR 39 TC 21 Z9 22 U1 2 U2 15 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 2005 VL 77 IS 8 BP 2601 EP 2607 DI 10.1021/ac0485785 PG 7 WC Chemistry, Analytical SC Chemistry GA 919FZ UT WOS:000228605100042 PM 15828799 ER PT J AU Bergman, CM Carlson, JW Celniker, SE AF Bergman, CM Carlson, JW Celniker, SE TI Drosophila DNase I footprint database: a systematic genome annotation of transcription factor binding sites in the fruitfly, Drosophila melanogaster SO BIOINFORMATICS LA English DT Article ID CIS-REGULATORY MODULES; CLUSTERS AB Despite increasing numbers of computational tools developed to predict cis-regulatory sequences, the availability of high-quality datasets of transcription factor binding sites limits advances in the bioinformatics of gene regulation. Here we present such a dataset based on a systematic literature curation and genome annotation of DNase I footprints for the fruitfly, Drosophila melanogaster. Using the experimental results of 201 primary references, we annotated 1367 binding sites from 87 transcription factors and 101 target genes in the D.melanogaster genome sequence. These data will provide a rich resource for future bioinformatics analyses of transcriptional regulation in Drosophila such as constructing motif models, training cis-regulatory module detectors, benchmarking alignment tools and continued text mining of the extensive literature on transcriptional regulation in this important model organism. C1 Univ Cambridge, Dept Genet, Cambridge CB2 3EH, England. Univ Calif Berkeley, Lawrence Berkeley Lab, Dept Genome Sci, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley Drosophila Genome Project, Berkeley, CA 94720 USA. RP Bergman, CM (reprint author), Univ Cambridge, Dept Genet, Downing St, Cambridge CB2 3EH, England. EM cbergman@gen.cam.ac.uk RI Bergman, Casey/F-7854-2010 OI Bergman, Casey/0000-0002-5462-9854 FU CGH CDC HHS [GH002673]; NHGRI NIH HHS [HG00750]; NHLBI NIH HHS [T32 HL07279] NR 17 TC 112 Z9 113 U1 0 U2 5 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 1367-4803 J9 BIOINFORMATICS JI Bioinformatics PD APR 15 PY 2005 VL 21 IS 8 BP 1747 EP 1749 DI 10.1093/bioinformatics/bti173 PG 3 WC Biochemical Research Methods; Biotechnology & Applied Microbiology; Computer Science, Interdisciplinary Applications; Mathematical & Computational Biology; Statistics & Probability SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Computer Science; Mathematical & Computational Biology; Mathematics GA 916QX UT WOS:000228401800082 PM 15572468 ER PT J AU Hindson, BJ Makarewicz, AJ Setlur, US Henderer, BD McBride, MT Dzenitis, JM AF Hindson, BJ Makarewicz, AJ Setlur, US Henderer, BD McBride, MT Dzenitis, JM TI APDS: the autonomous pathogen detection system SO BIOSENSORS & BIOELECTRONICS LA English DT Article; Proceedings Paper CT 8th World Congress on Biosensors CY MAY 24-26, 2004 CL Granada, SPAIN DE detection; immunoassay; PCR; pathogen; APDS ID BIOLOGICAL WARFARE AGENTS; AIRBORNE BIOSENSOR; SPECTROMETRY; BIOWARFARE; AEROSOLS; ATTACKS; SPORES AB We have developed and tested a fully autonomous pathogen detection system (APDS) capable of continuously monitoring the environment for airborne biological threat agents. The system was developed to provide early warning to civilians in the event of a bioterrorism incident and can be used at high profile events for short-term, intensive monitoring or in major public buildings or transportation nodes for long-term monitoring. The APDS is completely automated, offering continuous aerosol sampling, in-line sample preparation fluidics, multiplexed detection and identification immunoassays, and nucleic acid-based polymerase chain reaction (PCR) amplification and detection. Highly multiplexed antibody-based and duplex nucleic acid-based assays are combined to reduce false positives to a very low level, lower reagent costs, and significantly expand the detection capabilities of this biosensor. This article provides an overview of the current design and operation of the APDS. Certain sub-components of the ADPS are described in detail, including the aerosol collector, the automated sample preparation module that performs multiplexed immunoassays with confirmatory PCR, and the data monitoring and communications system. Data obtained from an APDS that operated continuously for 7 days in a major U.S. transportation hub is reported. (c) 2004 Elsevier B.V. All rights reserved. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Dzenitis, JM (reprint author), Lawrence Livermore Natl Lab, L-174,POB 808,700 E Ave, Livermore, CA 94550 USA. EM dzenitis2@llnl.gov NR 26 TC 38 Z9 40 U1 1 U2 8 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 2005 VL 20 IS 10 BP 1925 EP 1931 DI 10.1016/j.bios.2004.09.027 PG 7 WC Biophysics; Biotechnology & Applied Microbiology; Chemistry, Analytical; Electrochemistry; Nanoscience & Nanotechnology SC Biophysics; Biotechnology & Applied Microbiology; Chemistry; Electrochemistry; Science & Technology - Other Topics GA 909FL UT WOS:000227845700005 PM 15741059 ER PT J AU Wen, J Huang, SM Rogers, H Dickinson, LA Kohwi-Shigematsu, T Noguchi, CT AF Wen, J Huang, SM Rogers, H Dickinson, LA Kohwi-Shigematsu, T Noguchi, CT TI SATB1 family protein expressed during early erythroid differentiation modifies globin gene expression SO BLOOD LA English DT Article ID LOCUS-CONTROL REGION; DNA-BINDING PROTEIN; TRANSCRIPTION FACTOR GATA-1; NUCLEAR-MATRIX; HISTONE ACETYLTRANSFERASES; ERYTHROLEUKEMIA-CELLS; K562 CELLS; IN-VIVO; ACETYLATION; ACTIVATION AB Special AT-rich binding protein 1 (SATB1) nuclear protein, expressed predominantly in T cells, regulates genes through targeting chromatin remodeling during T-cell maturation. Here We show SATB1 family protein induction during early human adult erythroid progenitor cell differentiation concomitant with epsilon-globin expression. Erythroid differentiation of human erythroleukemia K562 cells by hemin simultaneously increases gamma-globin and down-regulates SATB1 family protein and epsilon-globin gene expression. Chromatin immunoprecipitation using ariti-SATB1 anti- body shows selective binding in vivo in the beta-globin cluster to the hypersensitive site 2 (HS2) in the locus control region (LCR) and to the epsilon-globin promoter. SATB1 overexpression increases epsilon-globin and decreases gamma-globin gene expression accompanied by histone hyperacetylation and hypomethylation in chromatin from the epsilon-globin promoter and HS2, and histone hypoacetylation and hypermethylation associated with the gamma-globin promoter. In K562 cells SATB1 family protein forms a complex with CREB-binding protein (CBP) important in transcriptional activation. In cotransfection experiments, increase in epsilon-promoter activity by SATB1 was amplified by CBP and blocked by E1A, a CBP inhibitor. Our results suggest that SATB1 can up-regulate the E-globin gene by interaction with specific sites in the beta-globin cluster and imply that SATB1 family protein expressed in the erythroid progenitor cells may have a role in globin gene expression during early erythroid differentiation. C1 NIDDKD, Mol Med Branch, Biol Chem Lab, NIH, Bethesda, MD 20892 USA. NIDDKD, Mol Med Branch, Mol Biol Lab, NIH, Bethesda, MD 20892 USA. Lawrence Berkeley Natl Lab, Dept Cell & Mol Biol, Berkeley, CA USA. RP Noguchi, CT (reprint author), NIDDKD, Mol Med Branch, Biol Chem Lab, NIH, Bldg 10,Rm 9N307,10 Ctr Dr,MSC 1822, Bethesda, MD 20892 USA. EM cnoguchi@helix.nih.gov NR 51 TC 59 Z9 66 U1 0 U2 4 PU AMER SOC HEMATOLOGY PI WASHINGTON PA 1900 M STREET. NW SUITE 200, WASHINGTON, DC 20036 USA SN 0006-4971 J9 BLOOD JI Blood PD APR 15 PY 2005 VL 105 IS 8 BP 3330 EP 3339 DI 10.1182/blood-2004-08-2988 PG 10 WC Hematology SC Hematology GA 915XK UT WOS:000228344500054 PM 15618465 ER PT J AU Piotrowski, K Wiltowski, T Szymanski, T Mondal, K Rathinaswamy, V Breault, RW Stonawski, L AF Piotrowski, K Wiltowski, T Szymanski, T Mondal, K Rathinaswamy, V Breault, RW Stonawski, L TI Cycling effects on the methane regeneration kinetics of CuO/gamma-Al2O3 sorbent SO CHEMICAL ENGINEERING JOURNAL LA English DT Article DE copper oxide; methane; regeneration; topochemical reaction kinetics ID FLUE-GAS DESULFURIZATION; DESOX DENOX REACTIONS; COPPER-OXIDE PROCESS; SIMULTANEOUS REMOVAL; CATALYST; SO2; SULFATION; HYDROGEN; CLEANUP; ADSORPTION AB Due to the excellent adsorption capacity coupled with convenient regeneration characteristics demonstrated by copper oxide impregnated gamma-Al2O3 spheres this process has the potential of being more effective, feasible and widely accepted over the lime and limestone scrubbing in the removal Of SO2. Thermogravimetric tests concerning the copper oxide on gamma-Al2O3 (both fresh and spent) sorbent regeneration kinetics by methane were performed. Commercially available (SELEXSORBTM) 1/8 in. diameter gamma-Al2O3 spheres loaded with 5.8 wt.% of Cu were used for these studies. The regeneration experiment temperatures were: 700, 727 and 750 K, while a 20 cm(3)/min flow of pure methane was applied. To determine the reaction mechanism and its kinetic parameters evaluation, the TGA data were subjected to a rigorous series of theoretically developed models of topochemical reaction kinetics. Hancock and Sharp's tabulations were used to establish the reaction mechanisms and their rate constants evaluation. The various diffusion kinetic equations found themselves useful for the description of the reaction time-courses in the final stage of each experiment. (c) 2005 Elsevier B.V. All rights reserved. C1 So Illinois Univ, Coal Res Ctr, Carbondale, IL 62901 USA. Silesian Tech Univ, Dept Chem & Proc Engn, Gliwice, Poland. So Illinois Univ, Dept Mech Engn & Energy Proc, Carbondale, IL 62901 USA. US DOE, Morgantown, WV USA. RP Wiltowski, T (reprint author), So Illinois Univ, Coal Res Ctr, Carbondale, IL 62901 USA. EM tomek@siu.edu NR 27 TC 1 Z9 1 U1 0 U2 6 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 1385-8947 J9 CHEM ENG J JI Chem. Eng. J. PD APR 15 PY 2005 VL 108 IS 3 BP 227 EP 237 DI 10.1016/j.cej.2005.02.026 PG 11 WC Engineering, Environmental; Engineering, Chemical SC Engineering GA 927EH UT WOS:000229174700006 ER PT J AU Xue, L Schaldach, CM Janosik, T Bergman, J Bjeldanes, LF AF Xue, L Schaldach, CM Janosik, T Bergman, J Bjeldanes, LF TI Effects of analogs of indole-3-carbinol cyclic trimerization product in human breast cancer cells SO CHEMICO-BIOLOGICAL INTERACTIONS LA English DT Article DE CTr; Me3CTr; S3CTr; estrogen receptor agonist; human breast cancer cells ID ARYL-HYDROCARBON RECEPTOR; DIETARY INDOLE-3-CARBINOL; IN-VIVO; COVALENT BINDING; GENE-EXPRESSION; CARCINOGENESIS; ENHANCEMENT; INDOLE; ALPHA; LIVER AB 5,6,11,12,17,18-Hexahydrocyclonona[1,2-b:4,5-b*:7,8-b**]triindole (CTr) is a major digestive product of indole-3-carbinol (13C) from Brassica vegetables and exhibits strong estrogenic activities. CTr increases proliferation of estrogen-dependent breast tumor cells, binds with strong affinity for the estrogen receptor-alpha (ER alpha), and activates expression of estrogen (E-2)dependent genes. To begin to examine the structural features that determine the biological activity of CTr, we prepared and studied the effects of two analogs, 9,18-dihydro- (2H-[ 1,2,5]trithionino[3,4-b:6,7-b*:9,8-b**]triindole (S3CTr) and 5,6,1 1,12,17,18-hexahydro-5,11,17-trimethylcyclonona[1,2-6:4,5-b*:7,8-b**]triindole (Me3CTr). N-Methylation of CTr completely ablated the estrogenic activities of CTr. In the dose range in which CTr was clearly estrogenic, Me3CTr exhibited no detectable effect on cell growth, ER alpha binding to E2, or ER alpha-responsive gene expression. S3CTr showed mixed ER alpha agonist activities. It bound to the ERa and activated receptor binding with DNA, weakly activated expression of transfected E-2-responsive reporter gene constructs, and strongly inhibited the E-2-induced activation of these reporter constructs. S3CTr activated aryl hydrocarbon receptor (AhR)-mediated pathways, consistent with the moderately strong binding affinity of S3CTr for the AhR. Comparisons of the conformational characteristics among CTr and its two analogs indicated that the estrogenic effects of CTr are highly sensitive to apparently minor structural modifications, and further supported the hypothesis for a central role of hydrogen bonding around the nitrogen atom in CTr binding to the ligand binding site of ER alpha. (c) 2005 Elsevier Ireland Ltd. All rights reserved. C1 Univ Calif Berkeley, Dept Nutr Sci & Toxicol, Berkeley, CA 94720 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Karolinska Inst, Novum, Unit Organ Chem, CNT,Dept Biosci, SE-14157 Huddinge, Sweden. RP Bjeldanes, LF (reprint author), Univ Calif Berkeley, Dept Nutr Sci & Toxicol, 119 Morgan Hall, Berkeley, CA 94720 USA. EM lfb@nature.berkeley.edu FU NCI NIH HHS [CA69056] NR 39 TC 12 Z9 13 U1 0 U2 2 PU ELSEVIER IRELAND LTD PI CLARE PA ELSEVIER HOUSE, BROOKVALE PLAZA, EAST PARK SHANNON, CO, CLARE, 00000, IRELAND SN 0009-2797 J9 CHEM-BIOL INTERACT JI Chem.-Biol. Interact. PD APR 15 PY 2005 VL 152 IS 2-3 BP 119 EP 129 DI 10.1016/j.cbi.2005.02.007 PG 11 WC Biochemistry & Molecular Biology; Pharmacology & Pharmacy; Toxicology SC Biochemistry & Molecular Biology; Pharmacology & Pharmacy; Toxicology GA 922PL UT WOS:000228849900005 PM 15840385 ER PT J AU Zhou, YK Shepard, R Minkoff, M AF Zhou, YK Shepard, R Minkoff, M TI Computing eigenvalue bounds for iterative subspace matrix methods SO COMPUTER PHYSICS COMMUNICATIONS LA English DT Article DE bounds; eigenvalue; subspace; Ritz; hermitian; generalized; gap; spread ID EIGENVECTORS AB A procedure is presented for the computation of bounds to eigenvalues of the generalized hermitian eigenvalue problem and to the standard hermitian eigenvalue problem. This procedure is applicable to iterative subspace eigenvalue methods and to both outer and inner eigenvalues. The Ritz values and their corresponding residual norms, all of which are computable quantities, are needed by the procedure. Knowledge of the exact eigenvalues is not needed by the procedure, hut it must be known that the computed Ritz values are isolated from exact eigenvalues outside of the Ritz spectrum and that there are no skipped eigenvalues within the Ritz spectrum range. A multipass refinement procedure is described to compute the bounds for each Ritz value. This procedure requires O(m) effort where in is the subspace dimension for each pass, Published by Elsevier B.V. C1 Argonne Natl Lab, Div Chem, Theoret Chem Grp, Argonne, IL 60439 USA. Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. RP Shepard, R (reprint author), Argonne Natl Lab, Div Chem, Theoret Chem Grp, Argonne, IL 60439 USA. EM zhou@mcs.anl.gov; shepard@tcg.anl.gov; minkoff@mcs.anl.gov NR 12 TC 8 Z9 8 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0010-4655 J9 COMPUT PHYS COMMUN JI Comput. Phys. Commun. PD APR 15 PY 2005 VL 167 IS 2 BP 90 EP 102 DI 10.1016/j.cpc.2004.12.013 PG 13 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 916YA UT WOS:000228421500004 ER PT J AU Schiffer, WK Lee, DE Brodie, JD Dewey, SL AF Schiffer, WK Lee, DE Brodie, JD Dewey, SL TI Imaging addiction with PET: is insight in sight? SO DRUG DISCOVERY TODAY LA English DT Review ID POSITRON-EMISSION-TOMOGRAPHY; GAMMA-VINYL-GABA; NUCLEUS-ACCUMBENS DOPAMINE; CEREBRAL-BLOOD-FLOW; HUMAN-BRAIN; RECEPTOR-BINDING; STRIATAL DOPAMINE; COCAINE ADDICTION; C-11 RACLOPRIDE; IN-VIVO AB Neurochemical imaging studies can identify molecular targets of abused drugs and link them to the underlying pathology associated with behaviors such as drug dependence, addiction and withdrawal. positron emission tomography (PET) is opening new avenues for the investigation of the neurochemical disturbances underlying drug abuse and addiction and the in vivo mechanisms by which medications might ameliorate these conditions. PET can identify vulnerable human populations, treatment strategies and monitor treatment efficacy. Thus, with this tool and the knowledge it provides, the potential for developing novel drugs and treatment strategies for drug addiction is now close at hand. C1 SUNY Stony Brook, Dept Neurobiol & Behav, Stony Brook, NY 11794 USA. Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. NYU, Sch Med, New York, NY 10016 USA. RP SUNY Stony Brook, Dept Neurobiol & Behav, Stony Brook, NY 11794 USA. EM wynne@bnl.gov FU NIDA NIH HHS [DA015874, F31-DA15874] NR 115 TC 9 Z9 9 U1 0 U2 1 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1359-6446 EI 1878-5832 J9 DRUG DISCOV TODAY JI Drug Discov. Today PD APR 15 PY 2005 VL 10 IS 8 BP 547 EP 562 AR PII S1359-6446(05)03412-4 DI 10.1016/S1359-6446(05)03412-4 PG 16 WC Pharmacology & Pharmacy SC Pharmacology & Pharmacy GA 912PM UT WOS:000228091600008 PM 15837598 ER PT J AU Shao, MH Adzic, RR AF Shao, MH Adzic, RR TI Electrooxidation of ethanol on a Pt electrode in acid solutions: in situ ATR-SEIRAS study SO ELECTROCHIMICA ACTA LA English DT Article DE ethanol; acetaldehyde; acetic acid; electrooxidation; surface enhanced infrared absorption spectroscopy; platinum ID INFRARED-ABSORPTION SPECTROSCOPY; TIME FTIR SPECTROSCOPY; PLATINUM-ELECTRODES; ACETIC-ACID; ELECTROCHEMICAL OXIDATION; VIBRATIONAL SPECTROSCOPY; ELEMENTARY STEPS; FUEL-CELLS; ADSORPTION; SURFACE AB The electrooxidation of ethanol was investigated on a Pt thin film electrode in a HClO4 solution using surface enhanced infrared absorption spectroscopy (SEIRAS) with the attenuated total reflection (ATR) technique. The spectra indicate that during this reaction acetate and CO adsorbates are formed. The intensity of symmetric OCO stretching band of adsorbed acetate correlates well with voltammetry in the potential range between -0.1 and 0.85 V. The C=O stretching band for adsorbed acetaldehyde and/or acetyl also was observed; these compounds are the reaction intermediates whose oxidation generates COad and acetic acid. We also explored the oxidation behavior of adsorbed residues. The oxidation of acetaldehyde was studied for comparison. (c) 2004 Elsevier Ltd. All rights reserved. C1 Brookhaven Natl Lab, Dept Mat Sci, Upton, NY 11973 USA. RP Adzic, RR (reprint author), Brookhaven Natl Lab, Dept Mat Sci, Upton, NY 11973 USA. EM adzic@bnl.gov OI Shao, Minhua/0000-0003-4496-0057 NR 42 TC 138 Z9 139 U1 4 U2 61 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 2005 VL 50 IS 12 BP 2415 EP 2422 DI 10.1016/j.electacta.2004.10.063 PG 8 WC Electrochemistry SC Electrochemistry GA 914WO UT WOS:000228258900007 ER PT J AU Jackson, BP Ranville, JF Bertsch, PM Sowder, AG AF Jackson, BP Ranville, JF Bertsch, PM Sowder, AG TI Characterization of colloidal and humic-bound Ni and U in the "dissolved" fraction of contaminated sediment extracts SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID FIELD-FLOW FRACTIONATION; SIZE-EXCLUSION CHROMATOGRAPHY; PLASMA-MASS-SPECTROMETRY; NATURAL ORGANIC-MATTER; FREE-ION ACTIVITY; ICP-MS; METAL-IONS; SURFACE WATERS; BIOTIC LIGAND; URANIUM AB The dissolved phase of environmental aqueous samples is generally defined by filtration at 0.2 mu m or even 0.45 mu m. However, it is also acknowledged that colloids < 0.2 mu m suspended in the aqueous phase can be important for determining contaminant availability and mobility. We have used flow field-flow fractionation (FI FFF) and size exclusion chromatography (SEC) coupled to UV-absorbance (UVA) and inductively coupled plasma mass spectrometry (ICP-MS) to study the dissolved organic matter (DOM) and colloidal binding of U and Ni in water extracts of sediments collected from a contaminated area of the Savannah River Site, a U.S. Department of Energy former nuclear materials production and processing facility, near Aiken, SC. High-performance SEC-UVA-ICP-MS was well-suited to the separation of DOM over the molecular weight (MW) range of similar to 200-7000 Da. The ICP-MS element specific data indicated that a significant fraction of U was associated with DOM. Uranium exhibited a bimodal distribution and the other fraction was greater than the exclusion limit for the column and coeluted with Al. Flow FFF was used to size this fraction as colloidal with an approximate effective spherical diameter of 0.09-0.12 mu m. Element specific ICP-MS data confirmed that U and Al were associated with the colloidal phase. High-field FI FFF was also applicable to sizing DOM but resolution was poorer than SEC. The results of this study suggest that "dissolved" U at this site is predominantly either complexed by DOM or bound to a colloidal fraction while Ni is predominately present as labile complexes or the free cation and, therefore, potentially bioavailable. C1 Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. Colorado Sch Mines, Dept Chem & Geochem, Golden, CO 80401 USA. RP Jackson, BP (reprint author), Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. EM jackson@srel.edu RI Ranville, James/H-1428-2011; OI ranville, james/0000-0002-4347-4885 NR 45 TC 46 Z9 47 U1 3 U2 42 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 2005 VL 39 IS 8 BP 2478 EP 2485 DI 10.1021/es0485208 PG 8 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 917AT UT WOS:000228428900015 PM 15884338 ER PT J AU Wilk, PA Shaughnessy, DA Wilson, RE Nitsche, H AF Wilk, PA Shaughnessy, DA Wilson, RE Nitsche, H TI Interfacial interactions between Np(V) and manganese oxide minerals manganite and hausmannite SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID NEPTUNIUM(V) SORPTION; ALKALINE-SOLUTION; ADSORPTION; SURFACE; EXAFS; SPECIATION; ACTINIDES; HEMATITE; IONS; FERRIHYDRITE AB Manganese oxides, present as minor phases in the vadose zone, have been previously shown to sequester large quantities of plutonium under environmental conditions. We are now continuing these studies with Np(V). Sorption onto manganite (MnOOH) and hausmannite (Mn3O4) at solid-to-solution ratios of 2.5-3.3 mg/mL has been studied as a function of neptinium concentration and pH. The sorption of Np increased as a function of pH for both minerals, attaining a maximum at neutral pH, and then decreased with increasing alkalinity. X-ray absorption fine structure spectroscopy (XAFS), taken at the Np L-III- edge, has been used to determine the oxidation state of the sorbed Np. Our experimental results indicate reduction of the Np(V) because of interaction with the X-ray beam. These findings significantly impact the interpretation of results reported elsewhere on Np(V) investigated though the use of high-intensity X-ray beams. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Div Nucl Sci, Berkeley, CA 94720 USA. Lawrence Livermore Natl Lab, Div Chem Biol & Nucl Sci, Livermore, CA 94551 USA. Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. RP Wilk, PA (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Nucl Sci, Berkeley, CA 94720 USA. EM hnitsche@lbl.gov RI Wilson, Richard/H-1763-2011; Wilk, Philip/B-5954-2008 OI Wilson, Richard/0000-0001-8618-5680; NR 62 TC 19 Z9 21 U1 3 U2 38 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 15 PY 2005 VL 39 IS 8 BP 2608 EP 2615 DI 10.1021/es040080x PG 8 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 917AT UT WOS:000228428900033 PM 15884356 ER PT J AU Wang, ZM Zachara, JM McKinley, JP Smith, SC AF Wang, ZM Zachara, JM McKinley, JP Smith, SC TI Cryogenic laser induced U(VI) fluorescence studies of a U(VI) substituted natural calcite: Implications to U(VI) speciation in contaminated Hanford sediments SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID URANYL INCORPORATION; URANIUM SPECIATION; WATER INTERFACE; TRACE-ELEMENTS; XAFS; COPRECIPITATION; COMPLEXATION; LUMINESCENCE; HEMATITE; SORPTION AB Time-resolved laser-induced fluorescence spectroscopy (TRLFS) and imaging spectromicroscopy (TRLFISM) were used to examine the chemical speciation of uranyl in contaminated subsurface sediments from the U.S. Department of Energy (U.S. DOE) Hanford Site, Washington. Spectroscopic measurements for contaminant U(VI) were compared to those from a natural, uranyl-bearing calcite (NUC) that had been found via X-ray absorption spectroscopy (XAS) to include uranyl in the same coordination environment as calcium. Spectral deconvolution of TRLFS measurements on the NUC revealed the unexpected presence of two distinct chemical environments consistent with published spectra of U(VI)-substituted synthetic calcite and aragonite. Apparently, some U(VI) substitution sites in calcite distorted to exhibit a local, more energetically favorable aragonite structure. TRLFS measurements of the Hanford sediments NP4-1 and NP1-6 were similar to the NUC in terms of peak positions and intensity, despite a small CaCO3 content (1.0 to 3.2 mass %). Spectral deconvolution of the sediments revealed the presence of U(VI) in calcite and aragonite structural environments. A third, unidentified U(VI) species was also present in the NP1-6 sediment. TRLFISM measurements at multiple locations in the different sediments displayed only minor variation, indicating a uniform speciation pattern. Collectively, the measurements implied that waste U(VI), long-resident beneath the sampled disposal pond (32 y), had coprecipitated within carbonates. These findings have major implications for the solubility and fate of contaminant MO. C1 Pacific NW Natl Lab, Richland, WA 99354 USA. RP Wang, ZM (reprint author), Pacific NW Natl Lab, POB 999,MSIN K8-96, Richland, WA 99354 USA. EM zheming.wang@phl.gov RI Wang, Zheming/E-8244-2010 OI Wang, Zheming/0000-0002-1986-4357 NR 34 TC 37 Z9 38 U1 3 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 15 PY 2005 VL 39 IS 8 BP 2651 EP 2659 DI 10.1021/es048448d PG 9 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 917AT UT WOS:000228428900039 PM 15884362 ER PT J AU Altman, SJ Rivers, ML Reno, MD Cygan, RT Mclain, AA AF Altman, SJ Rivers, ML Reno, MD Cygan, RT Mclain, AA TI Characterization of adsorption sites on aggregate soil samples using synchrotron X-ray computerized microtomography SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID SORPTION COMPLEXES; URANIUM; MONTMORILLONITE; CESIUM; MINERALS; URANYL; RETENTION; TRANSPORT; SURFACES; HEMATITE AB Synchrotron-source X-ray computerized microtomography (CMT) was used to evaluate the adsorptive properties of aggregate soil samples. A linear relationship between measured mean mass attenuation coefficient (sigma) and mass fraction iron was generated by imaging mineral standards with known iron contents. On the basis of reported stoichiometries of the clay minerals and identifications of iron oxyhydroxides (1), we calculated the mass fraction iron and iron oxyhydroxide in the intergranular material. The mass fractions of iron were estimated to range from 0.17 to 0.22 for measurements made at 18 keV and from 0.18 to 0.21 for measurements made at 26 keV. One aggregate sample also contained regions within the intergranular material with mass fraction iron ranging from 0.29 to 0.31 and from 0.33 to 0.36 for the 18 and 26 keV measurements, respectively. The mass fraction iron oxyhydroxide ranged from 0.18 to 0.35 for the low-iron intergranular material and from 0.40 to 0.59 for the high-iron intergranular material. Using absorption edge difference imaging with CMT, we visualized cesium on the intergranular material, presumably because of adsorption and possible exchange reactions. By characterizing the mass fraction iron, the mass fraction iron oxyhydroxide, and the adsorptive capacity of these soil mineral aggregates, we provide information useful for conceptualization, development, and parametrization of transport models. C1 Sandia Natl Labs, Geohydrol Dept, Albuquerque, NM 87185 USA. Univ Chicago, CARS, Chicago, IL 60637 USA. Sandia Natl Labs, Dept Geochem, Albuquerque, NM 87185 USA. RP Altman, SJ (reprint author), Sandia Natl Labs, Geohydrol Dept, POB 5800, Albuquerque, NM 87185 USA. EM sjaltma@sandia.gov NR 36 TC 19 Z9 19 U1 3 U2 21 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 2005 VL 39 IS 8 BP 2679 EP 2685 DI 10.1021/es049103y PG 7 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 917AT UT WOS:000228428900042 PM 15884365 ER PT J AU DeSantis, TZ Stone, CE Murray, SR Moberg, JP Andersen, GL AF DeSantis, TZ Stone, CE Murray, SR Moberg, JP Andersen, GL TI Rapid quantification and taxonomic classification of environmental DNA from both prokaryotic and eukaryotic origins using a microarray SO FEMS MICROBIOLOGY LETTERS LA English DT Article DE rRNA; microarray; oligonucleotide; aerosol; probe; extraction ID 16S RIBOSOMAL-RNA; HIGH-DENSITY MICROARRAY; OLIGONUCLEOTIDE MICROARRAYS; DATABASE-PROJECT; ESCHERICHIA-COLI; MICROBIAL-CELLS; DIVERSITY; PCR; SOILS; IDENTIFICATION AB A microarray has been designed using 62,358 probes matched to both prokaryotic and eukaryotic small-subunit ribosomal RNA genes. The array categorized environmental DNA to specific phylogenetic clusters in under 9 h. To a background of DNA generated from natural outdoor aerosols, known quantities of rRNA gene copies from distinct organisms were added producing corresponding hybridization intensity scores that correlated well with their concentrations (r = 0.917). Reproducible differences in microbial community composition were observed by altering the genomic DNA extraction method. Notably, gentle extractions produced peak intensities for Mycoplasmatales and Burkholderiales, whereas a vigorous disruption produced peak intensities for Vibrionales, Clostridiales, and Bacillales. (c) 2005 Federation of European Microbiological Societies. Published by Elsevier B.V. All rights reserved. C1 Lawrence Berkeley Natl Lab, Ctr Environm Biotechnol, Berkeley, CA 94720 USA. Def Sci & Technol Lab, Salisbury SP4 0JQ, Wilts, England. RP Andersen, GL (reprint author), Lawrence Berkeley Natl Lab, Ctr Environm Biotechnol, 1 Cyclotron Rd,Mail Stop 70A-3317, Berkeley, CA 94720 USA. EM glandersen@lbl.gov RI Andersen, Gary/G-2792-2015 OI Andersen, Gary/0000-0002-1618-9827 NR 34 TC 68 Z9 70 U1 1 U2 9 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 2005 VL 245 IS 2 BP 271 EP 278 DI 10.1016/j.femsle.2005.03.016 PG 8 WC Microbiology SC Microbiology GA 921GV UT WOS:000228753100010 PM 15837382 ER PT J AU Riley, WJ AF Riley, WJ TI A modeling study of the impact of the delta O-18 value of near-surface soil water on the delta O-18 value of the soil-surface CO2 flUX SO GEOCHIMICA ET COSMOCHIMICA ACTA LA English DT Article ID OXYGEN-ISOTOPE RATIO; GLOBAL 3-DIMENSIONAL MODEL; ATMOSPHERIC CO2; CARBON-DIOXIDE; TERRESTRIAL VEGETATION; TALLGRASS PRAIRIE; VAPOR; O-18; SIMULATIONS; ECOSYSTEMS AB Measurements of O-18 in atmospheric CO2 have been used to partition site-level measured net ecosystem CO2 fluxes into gross fluxes and as a constraint on land surface biophysical processes at regional and global scales. However, these approaches require prediction of the delta O-18 value of the net CO2 flux between the soil and atmosphere (delta(F)), a quantity that is difficult to measure and accurately predict. delta(F) depends on the depth-dependent delta O-18 value of soil water (delta(SW)), soil moisture and temperature, soil CO2 production, and the delta O-18 value of above-surface CO2 I applied numerical model manipulations, regression analysis, a simple estimation method, and an analysis of the characteristic times of relevant processes to study the impacts of these parameters on delta(F). The results indicate that ignoring delta(SW) gradients in the near-surface soil can lead to large errors. In particular, in systems where delta(SW) gradients exist, generalizing previous experimental observations to infer that a bulk (e.g., 5-10 cm or 5-15 cm depth) estimate of delta(SW) can be used to estimate 5, is problematic. These results highlight the need for further experiments and argue for the importance of accurately resolving near-surface delta(SW) in the context of partitioning ecosystem CO2 fluxes and CO2 source attribution. Copyright (c) 2005 Elsevier Ltd C1 Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Lawrence Berkeley Natl Lab, Div Earth Sci, 1 Cyclotron Rd,Bldg 90-1106, Berkeley, CA 94720 USA. EM wjriley@lbl.gov RI Riley, William/D-3345-2015 OI Riley, William/0000-0002-4615-2304 NR 30 TC 19 Z9 19 U1 0 U2 6 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0016-7037 EI 1872-9533 J9 GEOCHIM COSMOCHIM AC JI Geochim. Cosmochim. Acta PD APR 15 PY 2005 VL 69 IS 8 BP 1939 EP 1946 DI 10.1016/j.gca.2004.10.021 PG 8 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 920IG UT WOS:000228682000003 ER PT J AU Addessio, FL Clements, BE Williams, TO AF Addessio, FL Clements, BE Williams, TO TI A model for heterogeneous materials including phase transformations SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID STRAIN RATE DEFORMATION; SHEAR LOCALIZATION; MICROMECHANICAL ANALYSIS; IMPACT; COMPOSITES; BANDS; ALPHA; WHA; FE AB A model is developed for particulate composites, which includes phase transformations in one or all of the constituents. The model is an extension of the method of cells formalism. Representative simulations for a single-phase, brittle particulate (SiC) embedded in a ductile material (Ti), which undergoes a solid-solid phase transformation, are provided. Also, simulations for a tungsten heavy alloy (WHA) are included. In the WHA analyses a particulate composite, composed of tungsten particles embedded in a tungsten-iron-nickel alloy matrix, is modeled. A solid-liquid phase transformation of the matrix material is included in the WHA numerical calculations. The example problems also demonstrate two approaches for generating free energies for the material constituents. Simulations for volumetric compression, uniaxial strain, biaxial strain, and pure shear are used to demonstrate the versatility of the model. (C) 2005 American Institute of Physics. C1 Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Addessio, FL (reprint author), Los Alamos Natl Lab, Div Theoret, Mail Stop B216, Los Alamos, NM 87545 USA. EM addessio@lanl.gov NR 37 TC 6 Z9 6 U1 1 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 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 15 PY 2005 VL 97 IS 8 AR 083509 DI 10.1063/1.1885165 PG 12 WC Physics, Applied SC Physics GA 920XT UT WOS:000228729500014 ER PT J AU Akdogan, EK Rawn, CJ Porter, WD Payzant, EA Safari, A AF Akdogan, EK Rawn, CJ Porter, WD Payzant, EA Safari, A TI Size effects in PbTiO3 nanocrystals: Effect of particle size on spontaneous polarization and strains SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID ANOMALOUS LATTICE EXPANSION; DRIVEN PHASE-TRANSITION; BARIUM-TITANATE; FERROELECTRIC PARTICLES; ULTRAFINE PARTICLES; CRYSTAL-STRUCTURE; BATIO3 PARTICLES; THIN-FILMS; GRAIN-SIZE; ORIGIN AB The spontaneous polarization (P-s) and spontaneous strains (x(i)) in mechanically unclamped and surface charge compensated PbTiO3 nanocrystals were determined as a function of particle size in the range < 150 nm by differential scanning calorimetry and x-ray powder diffraction, respectively. Significant deviations from bulk order parameters (P,x(i)) have been observed as the particle size decreased below similar to 100 nm. The critical size (r(c)) below which the ferroelectric tetragonal phase transforms to the paraelectric cubic phase was determined as similar to 15 nm. The depression in transition temperature with particle size is 14 degrees C at 28 nm. No change in the order of m3m -> 4mm ferrodistortive phase transition is observed. A simple analysis showed that Delta H-tr/(k(B)T)similar to 10(3) at 25 degrees C for r=16 nm, indicating that the stabilization of the cubic phase at r(c) cannot be linked to an instability in dipolar ordering due to thermal agitations. Comparison of the spontaneous volumetric strains with the strain induced by surface stress indicated that the effect of surface stress on ferroelectric phase stability was negligible. Anomalies in electrostrictive properties were determined for r -> r(c). The observed size dependence of P-S is attributed to the reduced extent of long-range dipole-dipole interactions that arise due to the changes in bonding characteristics of ions with decreasing particle size in the perovskite lattice, in conformity with a recent study by Tsunekawa [Phys. Rev. Lett. 85 (16), 4340 (2000)]. (C) 2005 American Institute of Physics. C1 Rutgers State Univ, Malcolm McLaren Ctr Ceram Res, Elect Ceram Grp, Piscataway, NJ 08854 USA. Oak Ridge Natl Lab, Div Met & Ceram, Oak Ridge, TN 37381 USA. RP Akdogan, EK (reprint author), Rutgers State Univ, Malcolm McLaren Ctr Ceram Res, Elect Ceram Grp, 607 Taylor Rd, Piscataway, NJ 08854 USA. EM eka@rci.rutgers.edu RI Payzant, Edward/B-5449-2009 OI Payzant, Edward/0000-0002-3447-2060 NR 62 TC 48 Z9 49 U1 1 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 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 15 PY 2005 VL 97 IS 8 AR 084305 DI 10.1063/1.1872195 PG 8 WC Physics, Applied SC Physics GA 920XT UT WOS:000228729500092 ER PT J AU Chen, W Wang, SP Westcott, SL Zhang, J Dou, K Joly, AG McCready, DE AF Chen, W Wang, SP Westcott, SL Zhang, J Dou, K Joly, AG McCready, DE TI Structure and luminescence of BaFBr : Eu2+ and BaFBr : Eu2+, Tb3+ phosphors and thin films SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID INFRARED-LASER STIMULATION; RAY STORAGE PHOSPHORS; PHOTOSTIMULATED LUMINESCENCE; ZEOLITE-Y; QUANTUM DOTS; EU2+; PHOTOLUMINESCENCE; TEMPERATURE; MECHANISM; CRYSTALS AB The inclusion of Tb3+ ions doped into the storage phosphor BaFBr:Eu2+ results in increased purity of the host material as well as an improvement in the linearity of the photostimulated luminescence (PSL) intensity versus the x-ray irradiation dose. Films produced by pulsed laser deposition (PLD) also show similar results, indicating that PLD is a powerful technique for producing high quality, high purity thin films. As a result, the PSL dose response is more linear in the thin films than in the powder samples. The emission intensity of Eu2+ in the phosphors increases with the increasing time of x-ray irradiation while the emission intensity of Tb3+ remains almost constant. This result may be explained by considering the reduction of impurity Eu3+ ions following trapping of the photoexcited electrons. The results demonstrate that these materials are not only potentially useful for medical imaging but also show promise for use in radiation dosimetry. (C) 2005 American Institute of Physics. C1 Nomad Inc, Stillwater, OK 74074 USA. Oklahoma State Univ, Dept Phys, Stillwater, OK 74078 USA. Pacific NW Natl Lab, Richland, WA 99352 USA. RP Nomad Inc, 1024 S Innovat Way, Stillwater, OK 74074 USA. EM wchen@nomadics.com NR 45 TC 9 Z9 11 U1 0 U2 8 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0021-8979 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD APR 15 PY 2005 VL 97 IS 8 AR 083506 DI 10.1063/1.1875738 PG 8 WC Physics, Applied SC Physics GA 920XT UT WOS:000228729500011 ER PT J AU Dareing, DW Thundat, T Jeon, SM Nicholson, M AF Dareing, DW Thundat, T Jeon, SM Nicholson, M TI Modal analysis of microcantilever sensors with environmental damping SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID FORCE MICROSCOPE; SURFACE STRESS; CANTILEVERS; FREQUENCY; VISCOSITY; MEDIA AB The vibration response of microcantilevers to simple harmonic base motion is formulated in terms of base motion plus modal responses relative to the moving base frame. Environmental damping is evaluated. The analysis gives the frequency responses of the first four modes and shows that the phase angle of each mode relative to the moving base frame is constant but that the phase angle of the absolute motion varies along the length of cantilevers. This finding is verified with experimental data. Phase changes along cantilevers depend on frequency ratios and the magnitude of environmental damping. Experimental data are used to establish damping factors, and phase angles are measured experimentally and compared with theoretical predictions. (C) 2005 American Institute of Physics. C1 Univ Tennessee, Mech Aerosp & Biomed Engn Dept, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Univ Tennessee, Mech Aerosp & Biomed Engn Dept, Knoxville, TN 37996 USA. EM ddareing@utk.edu NR 17 TC 24 Z9 24 U1 1 U2 4 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 2005 VL 97 IS 8 AR 084902 DI 10.1063/1.1880472 PG 6 WC Physics, Applied SC Physics GA 920XT UT WOS:000228729500115 ER PT J AU He, X Elmer, JW DebRoy, T AF He, X Elmer, JW DebRoy, T TI Heat transfer and fluid flow in laser microwelding SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID MONTE-CARLO-SIMULATION; ALLOYING ELEMENT VAPORIZATION; METAL COMPOSITION CHANGE; GRAIN-GROWTH; STAINLESS-STEEL; COMPLEX JOINTS; AFFECTED ZONE; WELD POOL; TEMPERATURE; INCLUSIONS AB The evolution of temperature and velocity fields during linear and spot Nd-yttrium aluminum garnet laser microwelding of 304 stainless steel was simulated using a well-tested, three-dimensional, numerical heat transfer and fluid flow model. Dimensional analysis was used to understand both the importance of heat transfer by conduction and convection as well as the roles of various driving forces for convection in the weld pool. Compared with large welds, smaller weld pool size for laser microwelding restricts the liquid velocities, but convection still remains an important mechanism of heat transfer. On the other hand, the allowable range of laser power for laser microwelding is much narrower than that for macrowelding in order to avoid formation of a keyhole and significant contamination of the workpiece by metal vapors and particles. The computed weld dimensions agreed well with the corresponding independent experimental data. It was found that a particular weld attribute, such as the peak temperature or weld penetration, could be obtained via multiple paths involving different sets of welding variables. Linear and spot laser microwelds were compared, showing differences in the temperature and velocity fields, thermal cycles, temperature gradients, solidification rates, and cooling rates. It is shown that the temperature gradient in the liquid adjacent to the mushy zone and average cooling rate between 800 and 500 degrees C for laser spot microwelding are much higher than those in linear laser microwelding. The results demonstrate that the application of numerical transport phenomena can significantly improve current understanding of both spot and linear laser microwelding. (C) 2005 American Institute of Physics. C1 Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA. Lawrence Livermore Natl Lab, Dept Chem & Mat Sci, Livermore, CA 94551 USA. RP Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA. EM debroy@psu.edu RI DebRoy, Tarasankar/A-2106-2010 NR 50 TC 69 Z9 71 U1 7 U2 42 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 2005 VL 97 IS 8 AR 084909 DI 10.1063/1.1873032 PG 9 WC Physics, Applied SC Physics GA 920XT UT WOS:000228729500122 ER PT J AU Hearne, SJ Seel, SC Floro, JA Dyck, CW Fan, W Brueck, SRJ AF Hearne, SJ Seel, SC Floro, JA Dyck, CW Fan, W Brueck, SRJ TI Quantitative determination of tensile stress creation during island coalescence using selective-area growth SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID WEBER THIN-FILMS; INTRINSIC STRESS; SUBSTRATE; POLYCRYSTALLINE; CURVATURE; SURFACE AB Island coalescence during Volmer-Weber thin film growth is generally accepted to be a source of tensile stress. However, the stochastic nature of unpatterned film nucleation and growth prevents meaningful comparison of stress measurements taken during growth to that predicted by theoretical models. We have overcome this by systematically controlling island geometry using selective growth of Ni films on patterned substrates via electrodeposition. It was determined that the measured power-law dependence of mean stress on island size agreed well with theory. However, our data clearly demonstrates that the majority of the tensile stress associated with coalescence actually occurred after the initial contact of neighboring islands as the film planarizes with additional deposition. (C) 2005 American Institute of Physics. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. Univ New Mexico, Ctr High Technol Mat, Albuquerque, NM 87106 USA. RP Hearne, SJ (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 14 TC 16 Z9 16 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 2005 VL 97 IS 8 AR 083530 DI 10.1063/1.1870109 PG 5 WC Physics, Applied SC Physics GA 920XT UT WOS:000228729500035 ER PT J AU Lee, KS Jeong, DE Kim, SK Kortright, JB AF Lee, KS Jeong, DE Kim, SK Kortright, JB TI Soft x-ray resonant magneto-optical Kerr effect as a depth-sensitive probe of magnetic heterogeneity: A simulation approach SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID FE; INTERFACE; BEHAVIOR; SURFACE AB We report a noticeable depth sensitivity of soft x-ray resonant magneto-optical Kerr effect able to resolve depth-varying magnetic heterostructures in ultrathin multilayer films. For various models of depth-varying magnetization orientations in an ultrathin Co layer of realistic complex layered structures, we have calculated the Kerr rotation, ellipticity, intensity spectra versus grazing incidence angle phi, and their hysteresis loops at different values of phi for various photon energies h nu's near the Co resonance regions. It is found from the simulation results that the Kerr effect has a much improved depth sensitivity and that its sensitivity varies remarkably with phi and h nu in the vicinity of the resonance regions. These properties originate from a rich variety of wave interference effects superimposed with noticeable features of the refractive and absorptive optical effects near the resonance regions. Consequently, these allow us to resolve depth-varying magnetizations and their reversals varying with depth in a single magnetic layer and allow us to distinguish interface magnetism from the bulk properties in multilayer films. In this paper, the depth sensitivity of the Kerr effect with an atomic-scale resolution is demonstrated and discussed in details in several manners with the help of model simulations for various depth-varying spin configurations. (C) 2005 American Institute of Physics. C1 Seoul Natl Univ, Sch Mat Sci & Engn, Nanospintron Lab, Seoul 151744, South Korea. Seoul Natl Univ, Res Inst Adv Mat, Seoul 151744, South Korea. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Kim, SK (reprint author), Seoul Natl Univ, Sch Mat Sci & Engn, Nanospintron Lab, Seoul 151744, South Korea. EM sangkoog@snu.ac.kr RI Kim, Sang-Koog/J-4638-2014 NR 25 TC 9 Z9 9 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 2005 VL 97 IS 8 AR 083519 DI 10.1063/1.1861969 PG 10 WC Physics, Applied SC Physics GA 920XT UT WOS:000228729500024 ER PT J AU Setchell, RE Anderson, MU AF Setchell, RE Anderson, MU TI Shock-compression response of an alumina-filled epoxy SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID PARTICULATE-LOADED MATERIALS; STRESS-WAVE-PROPAGATION; DYNAMICAL RESPONSE; FUSED-SILICA; SAPPHIRE; PARTICLES; MIXTURES; MATRIX; INDEX AB Alumina-filled epoxies are composites having constituents with highly dissimilar mechanical properties. Complex behavior during shock compression and release can result, particularly at higher alumina loadings. In the current study, a particular material containing 43% alumina by volume was examined in planar-impact experiments. Laser interferometry was used to measure particle velocity histories in both reverse-impact and transmitted-wave configurations. Hugoniot states and release-wave velocities were obtained at shock stresses up to 10 GPa, and represented smooth extensions of previous data at lower stresses. Surprisingly high release-wave velocities continued to be the most notable feature. Measured profiles of transmitted waves show a gradual transition from viscoelastic behavior at high shock stresses to a more complex behavior at lower stresses in which viscous mechanisms produce a broadened wave structure. This wave structure was examined in some detail for peak stress dependence, evolution towards steady-wave conditions, and initial temperature effects. (C) 2005 American Institute of Physics. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM resetch@sandia.gov NR 23 TC 20 Z9 20 U1 2 U2 10 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 2005 VL 97 IS 8 AR 083518 DI 10.1063/1.1868055 PG 8 WC Physics, Applied SC Physics GA 920XT UT WOS:000228729500023 ER PT J AU Stoddard, N Duscher, G Karoui, A Stevie, F Rozgonyi, G AF Stoddard, N Duscher, G Karoui, A Stevie, F Rozgonyi, G TI Segregation and enhanced diffusion of nitrogen in silicon induced by low energy ion bombardment SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID OXYGEN PRECIPITATION; WAFERS AB A sample of nitrogen-doped, single crystal Czochralski silicon was subjected to several different surface preparations. Secondary ion mass spectrometry depth profiling has shown that prolonged glancing-angle bombardment by 3-5 kV Ar+ ions significantly increases the nitrogen concentration in the near surface by up to an order of magnitude over the bulk value. Concentrations are observed to be elevated over the bulk value to a depth up to 25 mu m. Nitrogen-implanted samples and samples with a 1 nm surface nitride did not exhibit nitrogen segregation under the same conditions, but a sample with 100 nm of surface nitride did exhibit ion bombardment induced drive-in. In nitride-free samples, the source of the nitrogen is indicated to be a nitrogen-rich layer in the first micron of material. The diffusion behavior of nitrogen in silicon is discussed and the Crowdion mechanism for diffusion is suggested as the enabling mechanism for the enhanced low temperature diffusion. (C) 2005 American Institute of Physics. C1 N Carolina State Univ, Dept Mat Sci & Engn, Raleigh, NC 27695 USA. Oak Ridge Natl Lab, Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. RP Stoddard, N (reprint author), N Carolina State Univ, Dept Mat Sci & Engn, Box 7907, Raleigh, NC 27695 USA. EM ngstodda@unity.ncsu.edu RI Duscher, Gerd/G-1730-2014 OI Duscher, Gerd/0000-0002-2039-548X NR 12 TC 3 Z9 3 U1 0 U2 1 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 2005 VL 97 IS 8 AR 083534 DI 10.1063/1.1866480 PG 6 WC Physics, Applied SC Physics GA 920XT UT WOS:000228729500039 ER PT J AU Yoh, JJ McClelland, MA Maienschein, JL Wardell, JF Tarver, CM AF Yoh, JJ McClelland, MA Maienschein, JL Wardell, JF Tarver, CM TI Simulating thermal explosion of cyclotrimethylenetrinitramine-based explosives: Model comparison with experiment SO JOURNAL OF APPLIED PHYSICS LA English DT Article AB We compare two-dimensional model results with measurements for the thermal, chemical, and mechanical behavior in a thermal explosion experiment. Confined high explosives (HEs) are heated at a rate of 1 degrees C/h until an explosion is observed. The heating, ignition, and deflagration phases are modeled using an Arbitrarily Lagrangian-Eulerian code (ALE3D) that can handle a wide range of time scales that vary from a structural to a dynamic hydrotime scale. During the preignition phase, quasistatic mechanics and diffusive thermal transfer from a heat source to the HE are coupled with the finite chemical reactions that include both endothermic and exothermic processes. Once the HE ignites, a hydrodynamic calculation is performed as a burn front propagates through the HE. Two cyclotrimethylenetrinitramine-based explosives, C-4 and PBXN-109, are considered, whose chemical-thermal-mechanical models are constructed based on measurements of thermal and mechanical properties along with small scale thermal explosion measurements. The simulated dynamic response of HE confinement during the explosive phase is compared to measurements in larger scale thermal explosion tests. The explosion temperatures for both HEs are predicted to within 5 degrees C. Calculated and measured wall strains provide an indication of vessel pressurization during the heating phase and violence during the explosive phase. During the heating phase, simulated wall strains provide only an approximate representation of measured values indicating a better numerical treatment is needed to provide accurate results. The results also show that more numerical accuracy is needed for vessels with lesser confinement strength. For PBXN-109, the measured wall strains during the explosion are well represented by the oxygen <-> metal interactions SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID OXYGEN HANDLING PROPERTIES; TERBIUM MIXED OXIDES; X-RAY-DIFFRACTION; CHEMICAL-PROPERTIES; 3-WAY CATALYSTS; PLANE-WAVE; CE1-XZRXO2 NANOPARTICLES; HYDROTHERMAL SYNTHESIS; MOLECULAR-DYNAMICS; SOLID-SOLUTIONS AB Ceria-based ternary oxides are widely used in many areas of chemistry, physics, and materials science. Synchrotron-based time-resolved x-ray diffraction, x-ray absorption near-edge spectroscopy (XANES), Raman spectroscopy, and density-functional calculations were used to study the structural and electronic properties of Ce-Zr-Tb oxide nanoparticles. The nanoparticles were synthesized following a novel microemulsion method and had sizes in the range of 4-7 nm. The Ce1-x-yZrxTbyO2 ternary systems exhibit a complex behavior that cannot be predicted as a simple extrapolation of the properties of Ce1-xZrxO2, Ce1-xTbxO2 or the individual oxides (CeO2, ZrO2, and TbO2). The doping of ceria with Zr and Tb induces a decrease in the unit cell, but there are large positive deviations with respect to the cell parameters predicted by Vegard's rule for ideal solid solutions. The presence of Zr and Tb generates strain in the ceria lattice through the creation of crystal imperfections and O vacancies. The O K-edge and Tb L-III-edge XANES spectra for the Ce1-x-yZrxTbyO2 nanoparticles point to the existence of distinctive electronic properties. In Ce1-x-yZrxTbyO2 there is an unexpected high concentration of Tb3+, which is not seen in TbO2 or Ce1-xTbxO2 and enhances the chemical reactivity of the ternary oxide. Tb <-> O <-> Zr interactions produce a stabilization of the Tb(4f, 5d) states that is responsible for the high concentration of Tb3+ cations. The behavior of Ce1-x-yZrxTbyO2 illustrates how important can be metal <-> oxygen <-> metal interactions for determining the structural, electronic, and chemical properties of a ternary oxide. (c) 2005 American Institute of Physics. C1 Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. CSIC, Inst Catalisis & Petroleoquim, E-28049 Madrid, Spain. RP Rodriguez, JA (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. EM rodrigez@bnl.gov; mfg@icp.csic.es RI Hanson, jonathan/E-3517-2010; Fernandez-Garcia, Marcos/A-8122-2014; Belver, Carolina/B-9306-2012 OI Belver, Carolina/0000-0003-2590-3225 NR 74 TC 21 Z9 21 U1 2 U2 29 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 2005 VL 122 IS 15 AR 154711 DI 10.1063/1.1883631 PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 927HQ UT WOS:000229185400046 PM 15945660 ER PT J AU Rutherford, SW Coons, JE AF Rutherford, SW Coons, JE TI Adsorption equilibrium and transport kinetics for a range of probe gases in Takeda 3A carbon molecular sieve SO JOURNAL OF COLLOID AND INTERFACE SCIENCE LA English DT Article ID AIR SEPARATION; DIFFUSION; DYNAMICS; DIOXIDE; SELECTIVITY AB Measurements of adsorption equilibria and transport kinetics for argon, oxygen and nitrogen at 20, 50, and 80 degrees C on commercially derived Takeda carbon molecular sieve (CMS) employed for air separation have been undertaken in an effort to elucidate fundamental mechanisms of transport. Results indicate that micropore diffusion which is modeled by a Fickian diffusion process, governs the transport of oxygen molecules and the pore mouth barrier controls argon and nitrogen transport which is characterized by a linear driving force (LDF) model. For the three temperatures studied, the pressure dependence of the diffusivity and the LDF rate constant appear to be well characterized by a formulation based on the chemical potential as the driving force for transport. Isosteric heat of adsorption at zero loading and activation energy measurements are compared with predictions made from a previously proposed molecular model for characterizing CMS. Published by Elsevier Inc. C1 Los Alamos Natl Lab, Engn Sci & Applicat Div, Los Alamos, NM 87545 USA. RP Rutherford, SW (reprint author), Los Alamos Natl Lab, Engn Sci & Applicat Div, MS C930, Los Alamos, NM 87545 USA. EM stevenr@lanl.gov RI Coons, Jim/G-5159-2011; OI Coons, Jim/0000-0003-1392-298X NR 30 TC 19 Z9 19 U1 0 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 15 PY 2005 VL 284 IS 2 BP 432 EP 439 DI 10.1016/j.jcis.2004.10.037 PG 8 WC Chemistry, Physical SC Chemistry GA 911SP UT WOS:000228025400009 PM 15780279 ER PT J AU Hong, HG Porter, MD AF Hong, HG Porter, MD TI Signal enhancement for electrochemical detection at glassy carbon electrode modified with phenyl layer SO JOURNAL OF ELECTROANALYTICAL CHEMISTRY LA English DT Article DE signal enhancement; phenyl-modified glassy carbon electrode; cyclic voltammetry; inhibition; electron transfer ID SELF-ASSEMBLED MONOLAYERS; DIAZONIUM SALTS; COVALENT MODIFICATION; ORGANIC MONOLAYERS; FLOW DETECTORS; ASCORBIC-ACID; REDUCTION; DOPAMINE; SURFACES; GOLD AB Glassy carbon (GC) electrode was modified with phenyl layer using electrochemical reduction of benzenediazonium tetrafluoroborate. The phenyl layer on GC inhibits direct electron transfer of ferrocyanide but allows for facile electrode kinetics of hydroxymethylferrocene (HMF) in solution-phase. Based on this selective electrochemical discrimination of phenyl layer, a voltammetric signal enhancement for the detection of HMF was studied at phenyl-modified GC electrode in phosphate buffer (PH = 7.2) solution containing ferrocyanide as a sacrificial species. The current amplification ratio (R) was found to be linear to the ferrocyanide concentration ranging from 0. 1 to 10 mM. (c) 2005 Elsevier B.V. All rights reserved. C1 Seoul Natl Univ, Dept Chem Educ, Seoul 151742, South Korea. Iowa State Univ, Dept Chem, USDOE, Ames Lab,Microanalyt Instrumentat Ctr, Ames, IA 50011 USA. RP Hong, HG (reprint author), Seoul Natl Univ, Dept Chem Educ, Seoul 151742, South Korea. EM hghong@snu.ac.kr NR 28 TC 12 Z9 12 U1 1 U2 3 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0022-0728 J9 J ELECTROANAL CHEM JI J. Electroanal. Chem. PD APR 15 PY 2005 VL 578 IS 1 BP 113 EP 119 DI 10.1016/j.jelechem.2004.12.027 PG 7 WC Chemistry, Analytical; Electrochemistry SC Chemistry; Electrochemistry GA 917BH UT WOS:000228430400014 ER PT J AU Orme, CJ Jones, MG Stewart, FF AF Orme, CJ Jones, MG Stewart, FF TI Pervaporation of water from aqueous HI using Nafion((R))-117 membranes for the sulfur-iodine thermochemical water splitting process SO JOURNAL OF MEMBRANE SCIENCE LA English DT Article DE liquid separation; nation membranes; hydriodic acid; pervaporation; water separation; sulfur-iodine process ID IONOMER MEMBRANES; ACETIC-ACID; NAFION; DEHYDRATION; POLYMER AB Nafion((R))-117 membranes have been successfully used to remove water from aqueous hydriodic acid (HI) by pervaporation. HI feeds were concentrated from approximately 1.7 to 5 M, and permeate concentrations ranged from 10(-3) to 10(-4) M, regardless of the feed HI concentration. Temperatures examined were 22, 50, 70, and 100 degrees C. Using 180 mu m thick films, fluxes at 22 degrees C were 0.43 kg/m(2) h, and increased with increasing system temperature to a maximum of 1.5 kg/m(2) h at 100 degrees C. Durability studies over a period of 3 months operation revealed little membrane degradation and, in all cases, the membranes retained their bulk physical properties in that they remained flexible and plastic. More intensive thermomechanical testing revealed changes in the membrane morphology upon pervaporation of the HI feed at 100 C, however, these changes were not reflected in the observed water transport behavior. (c) 2004 Elsevier B.V. All rights reserved. C1 Idaho Natl Engn & Environm Lab, Idaho Falls, ID 83415 USA. RP Stewart, FF (reprint author), Idaho Natl Engn & Environm Lab, POB 1625, Idaho Falls, ID 83415 USA. EM fsf@inel.gov NR 20 TC 15 Z9 15 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0376-7388 J9 J MEMBRANE SCI JI J. Membr. Sci. PD APR 15 PY 2005 VL 252 IS 1-2 BP 245 EP 252 DI 10.1016/j.memsci.2004.12.014 PG 8 WC Engineering, Chemical; Polymer Science SC Engineering; Polymer Science GA 922PS UT WOS:000228850700024 ER PT J AU Liu, G Cons, M Liu, TB AF Liu, G Cons, M Liu, TB TI The ionic effect on supramolecular associations in polyoxomolybdate solution SO JOURNAL OF MOLECULAR LIQUIDS LA English DT Article; Proceedings Paper CT 28th International Conference on Solution Chemistry CY AUG 23-28, 2003 CL Debrecen, HUNGARY DE polyoxomolybdates; supramolecular structure; dynamic light scattering; colloid ID AQUEOUS-SOLUTION; CLUSTERS; SPHERES AB Highly soluble polyoxomolybdates (POM) and POM-based giant molecules form vesicular supramolecular structures in solution instead of existing as separated ions. In order to investigate the driving forces in this process, different metal chloride salts were added into the polyoxomolybdate solutions and showed strong ionic effects. The size of the associations was affected by the charges and concentrations of counter-ions, which indicated that the electrostatic interaction played an important role during the formation of supramolecular associations. The dependence of critical flocculation concentrations on counter-ion charges showed that the polyoxomolybdate solutions possessed some colloidal behavior due to their extraordinary large sizes. (c) 2004 Elsevier B.V. All rights reserved. C1 Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Liu, TB (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. EM liu@bnl.gov RI Liu, Tianbo/D-8915-2017 OI Liu, Tianbo/0000-0002-8181-1790 NR 10 TC 9 Z9 9 U1 1 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-7322 J9 J MOL LIQ JI J. Mol. Liq. PD APR 15 PY 2005 VL 118 IS 1-3 SI SI BP 27 EP 29 DI 10.1016/j.molliq.2004.07.005 PG 3 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 905RS UT WOS:000227587900005 ER PT J AU Karabulut, M Metwalli, E Wittenauer, AK Brow, RK Marasinghe, GK Booth, CH Bucher, JJ Shuh, DK AF Karabulut, M Metwalli, E Wittenauer, AK Brow, RK Marasinghe, GK Booth, CH Bucher, JJ Shuh, DK TI An EXAFS investigation of rare-earth local environment in ultraphosphate glasses SO JOURNAL OF NON-CRYSTALLINE SOLIDS LA English DT Article ID ABSORPTION FINE-STRUCTURE; DOPED PHOSPHATE-GLASSES; METAPHOSPHATE; ND; SPECTRA; LASER; IONS AB The local structures around rare-earth ions in rare-earth ultraphosphate glasses (nominally 15RE(2)O(3)-85P(2)O(5), mol%, RE = Nd, Sm, Gd, Ho, and Er) and metaphosphate glasses (nominally 25RE(2)O(3)-75P(2)O(5), mol%, RE = Nd, Gd, and Er) have been studied by extended X-ray absorption fine structure spectroscopy (EXAFS) at the respective rare-earth L-III edges. The RE-O distance decreases with increasing atomic number of the rare-earth ion for both ultra and metaphosphate glasses. On average, RE-O distances for metaphosphate glasses are shorter than those for ultraphosphate glasses of comparable compositions. There are 7-8 oxygen nearest neighbors in the first co-ordination sphere around rare-earth ions in ultraphosphate glasses and similar to 6 oxygens in the first co-ordination sphere around rare-earth ions in metaphosphate glasses. There is no systematic dependence of the RE-O co-ordination number on the atomic number of the rare-earth ions in either compositional series. The second co-ordination shell around rare-earth ions in ultraphosphate glasses consists of phosphorus ions for all but the samarium ultraphosphate glass, with a RE-P distance between 3.53 and 3.85 angstrom and co-ordination numbers between 3 and 5. No RE-RE correlations were found within a distance of 4.5 angstrom. (c) 2005 Elsevier B.V. All rights reserved. C1 Kafkas Univ, Dept Phys, TR-36100 Kars, Turkey. Univ Missouri, Grad Ctr Mat Res, Rolla, MO 65401 USA. Fraunhofer Inst Silicatforschung, ORMOCERs Dept, D-97082 Wurzburg, Germany. Univ N Dakota, Dept Phys, Grand Forks, ND 58201 USA. Glenn T Seaborg Ctr, Div Clin Sci, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Karabulut, M (reprint author), Kafkas Univ, Dept Phys, TR-36100 Kars, Turkey. EM mevlut_karabulut@yahoo.com RI Booth, Corwin/A-7877-2008 NR 32 TC 12 Z9 12 U1 0 U2 14 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3093 EI 1873-4812 J9 J NON-CRYST SOLIDS JI J. Non-Cryst. Solids PD APR 15 PY 2005 VL 351 IS 10-11 BP 795 EP 801 DI 10.1016/j.jnoncrysol.2005.02.009 PG 7 WC Materials Science, Ceramics; Materials Science, Multidisciplinary SC Materials Science GA 924BH UT WOS:000228953100002 ER PT J AU Jankowski, AF Wall, MA Nieh, TG AF Jankowski, AF Wall, MA Nieh, TG TI Synthesis and thermal stability of amorphous Be-B-X alloy coatings SO JOURNAL OF NON-CRYSTALLINE SOLIDS LA English DT Article ID METALLIC GLASSES; MECHANICAL-PROPERTIES; SPUTTER-DEPOSITION; BERYLLIUM; STRENGTH; BORON; NANOCRYSTALLINE; FILMS AB Amorphous Be-B-X alloys are vapor deposited as coatings. The microstructure and hardness of the Be-B-X coatings are examined using transmission electron microscopy and nanoindentation, respectively. Whereas a Be-B-2.5 at.% Cu amorphous coating is found to crystallize to a cubic Be-33 at.% B phase at 673 K, a coating of Be-B-1.8 at.% Fe-0.4 at.% Cr-0.3 at.% Co does not crystallize until at a higher temperature of 748 K. The hardness of the amorphous Be-B-X coating increases with B content but is less than its crystalline counterparts. © 2005 Published by Elsevier B.V. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Jankowski, AF (reprint author), Lawrence Livermore Natl Lab, 7000 E Ave,POB 808,Mail Stop L-352, Livermore, CA 94550 USA. EM jankowskil@llnl.gov RI Nieh, Tai-Gang/G-5912-2011 OI Nieh, Tai-Gang/0000-0002-2814-3746 NR 32 TC 2 Z9 2 U1 0 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3093 J9 J NON-CRYST SOLIDS JI J. Non-Cryst. Solids PD APR 15 PY 2005 VL 351 IS 10-11 BP 900 EP 905 DI 10.1016/j.jnoncrysol.2005.01.082 PG 6 WC Materials Science, Ceramics; Materials Science, Multidisciplinary SC Materials Science GA 924BH UT WOS:000228953100016 ER PT J AU Wellman, DM Icenhower, JP Weber, WJ AF Wellman, DM Icenhower, JP Weber, WJ TI Elemental dissolution study of Pu-bearing borosilicate glasses SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID NUCLEAR WASTE GLASS; ALTERATION KINETICS; DOPED GLASS; PLUTONIUM; CHEMISTRY; CORROSION; MINERALS; IMPACT; FORMS; RATES AB Single-pass flow-through tests were conducted to study the effects of self-radiation damage from alpha decay on dissolution kinetics of three radiation-aged Pu-bearing (1 mass% PuO2) borosilicate glasses over a pH interval of 9-12 at 80-88 degrees C. The chemical compositions of the glasses were identical except the Pu-239/Pu-238 isotopic ratio, which was varied to yield accumulated doses of 1.3 x 10(16) 2.9 x 10(17) and 2.6 x 10(18) alpha-decays/g at the time of testing. Release of Al, B, Cs, Na, Si and U to solution increased with increasing pH, whereas Ca, Pu and Sr were invariant over the pH interval. Average dissolution rates, based on B release, were identical within experimental uncertainty for all three glass compositions and increased from 0.17 +/- 0.07 at pH(23 degrees C) 9 to 10.6 +/- 2.7 (g/(m(2) d(1))) at pH(23 degrees C) 12. Release rates of Pu were 10(2)- to 10(5)-fold slower compared to all other elements and were not affected by isotopic composition, self-radiation damage sustained by the glass, or pH. These data demonstrate that self-radiation damage does not affect glass dissolution rates, despite exposure to internal radiation doses for > 20 years. Published by Elsevier B.V. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Wellman, DM (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA. EM dawn.wellman@pnl.gov RI Weber, William/A-4177-2008; Icenhower, Jonathan/E-8523-2011 OI Weber, William/0000-0002-9017-7365; NR 38 TC 18 Z9 19 U1 0 U2 11 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 J9 J NUCL MATER JI J. Nucl. Mater. PD APR 15 PY 2005 VL 340 IS 2-3 BP 149 EP 162 DI 10.1016/j.jnucmat.2004.10.166 PG 14 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA 912YP UT WOS:000228116500002 ER PT J AU Snead, LL Zinkle, SJ White, DP AF Snead, LL Zinkle, SJ White, DP TI Thermal conductivity degradation of ceramic materials due to low temperature, low dose neutron irradiation SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID BETA-SILICON CARBIDE; RADIATION-DAMAGE; MECHANICAL-PROPERTIES; ELECTRON-IRRADIATION; ANNEALING BEHAVIOR; PYROLYTIC GRAPHITE; ALUMINUM-OXIDE; FAST-REACTOR; AMORPHIZATION; ION AB The thermal conductivity degradation due to low-temperature neutron irradiation is studied and quantified in terms of thermal resistance terms. Neutron irradiation is assumed to have no effect on urnklapp scattering. A theoretical model is presented to quantify the relative phonon-scattering effectiveness of the three dominant defect types produced by neutron irradiation: point defects, dislocation loops and voids. Several commercial ceramics have been irradiated with fission reactor fast neutrons at low temperatures to produce defects. Materials include silicon carbide, sapphire, polycrystalline alumina, aluminum nitride, silicon nitride, beryllium oxide, and a carbon fiber composite. The neutron dose corresponded to 0.001 and 0.01 displacements per atom (dpa) for a similar to 60 degrees C irradiation and 0.01 and 0.1 dpa for a similar to 300 degrees C irradiation. Substantial thermal conductivity degradation occurred in all of the materials except BeO following irradiation at 60 degrees C to a dose of only 0.001 dpa. The data are discussed in terms of the effective increase in thermal resistance caused by the different irradiation conditions. Evidence for significant point defect mobility during irradiation at 60 and 300 degrees C was obtained for all of the ceramics. The thermal stability of the radiation defects was investigated by isochronal annealing up to 1050 degrees C. (c) 2004 Elsevier B.V. All rights reserved. C1 Oak Ridge Natl Lab, Div Met & Ceram, Oak Ridge, TN 37831 USA. Merrimack Coll, Dept Phys, N Andover, MA 01845 USA. RP Snead, LL (reprint author), Oak Ridge Natl Lab, Div Met & Ceram, POB MS 6087, Oak Ridge, TN 37831 USA. EM sneadll@ornl.gov OI Zinkle, Steven/0000-0003-2890-6915 NR 78 TC 59 Z9 62 U1 8 U2 46 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD APR 15 PY 2005 VL 340 IS 2-3 BP 187 EP 202 DI 10.1016/j.jnucmat.2004.11.009 PG 16 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA 912YP UT WOS:000228116500006 ER PT J AU Sukumaran, SK Grest, GS Kremer, K Everaers, R AF Sukumaran, SK Grest, GS Kremer, K Everaers, R TI Identifying the primitive path mesh in entangled polymer liquids SO JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS LA English DT Article DE viscoelastic properties; structure-property relations; molecular dynamics ID VISCOELASTIC PROPERTIES; CHAIN DIMENSIONS; MELTS; DYNAMICS; LENGTH; SIMULATIONS; REPTATION; NETWORKS; SEMIDILUTE; PACKING AB Similar to entangled ropes, polymer chains cannot slide through each other. These topological constraints, the so-called entanglements, dominate the viscoelastic behavior of high-molecular-weight polymeric liquids. Tube models of polymer dynamics and rheology are based on the idea that entanglements confine a chain to small fluctuations around a primitive path which follows the coarse-grained chain contour. To establish the microscopic foundation for these highly successful phenomenological models, we have recently introduced a method for identifying the primitive path mesh that characterizes the microscopic topological state of computer-generated conformations of long-chain polymer melts and solutions. Here we give a more detailed account of the algorithm and discuss several key aspects of the analysis that are pertinent for its successful use in analyzing the topology of the polymer configurations. We also present a slight modification of the algorithm that preserves the previously neglected self-entanglements and allows us to distinguish between local self-knots and entanglements between distant sections of the same chain. Our results indicate that the latter make a negligible contribution to the tube and that the contour length between local self-knots, N-lk is significantly larger than the entanglement length N-e. (c) 2005 Wiley Periodicals, Inc. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. Max Planck Inst Polymer Res, D-55021 Mainz, Germany. Max Planck Inst Phys Komplexer Syst, D-01187 Dresden, Germany. RP Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM gsgrest@sandia.gov RI Kremer, Kurt/G-5652-2011; Everaers, Ralf/K-2228-2013; MPIP, Theory/I-9884-2014; Umlauf, Ursula/D-3356-2014 OI Everaers, Ralf/0000-0002-6843-2753; NR 39 TC 122 Z9 123 U1 5 U2 42 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0887-6266 EI 1099-0488 J9 J POLYM SCI POL PHYS JI J. Polym. Sci. Pt. B-Polym. Phys. PD APR 15 PY 2005 VL 43 IS 8 BP 917 EP 933 DI 10.1002/polb.20384 PG 17 WC Polymer Science SC Polymer Science GA 911IF UT WOS:000227995100006 ER PT J AU Borodin, O Bedrov, D Smith, GD Nairn, J Bardenhagen, S AF Borodin, O Bedrov, D Smith, GD Nairn, J Bardenhagen, S TI Multiscale modeling of viscoelastic properties of polymer nanocomposites SO JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS LA English DT Article DE polymer nanocomposites; molecular dynamics; material point method ID MOLECULAR-DYNAMICS; FILLED POLYMERS; RANDOM IONOMERS; RHEOLOGY AB A methodology for simple multiscale modeling of mechanical properties of polymer nanocomposites has been developed. This methodology consists of three steps: (1) obtaining from molecular dynamics simulations the viscoelastic properties of the bulklike polymer and approximating the position-dependent shear modulus of the interfacial polymer on the basis of the polymer-bead mean-square displacements as a function of the distance from the nanoparticle surface, (2) using bulk- and interfacial-polymer properties obtained from molecular dynamics simulations and performing stress-relaxation simulations of the nanocomposites with material-point-method simulations to extract the nanocomposite viscoelastic properties, and (3) performing direct validation of the average composite viscoelastic properties obtained from material-point-method simulations with those obtained from the molecular dynamics simulations of the nanocomposites. (c) 2005 Wiley Periodicals, Inc. C1 Univ Utah, Dept Mat Sci & Engn, Salt Lake City, UT 84112 USA. Univ Utah, Dept Chem & Fuels Engn, Salt Lake City, UT 84112 USA. Los Alamos Natl Lab, Grp T14, Los Alamos, NM 87545 USA. RP Borodin, O (reprint author), Univ Utah, Dept Mat Sci & Engn, Salt Lake City, UT 84112 USA. EM oleg.borodin@utah.edu RI Borodin, Oleg/B-6855-2012 OI Borodin, Oleg/0000-0002-9428-5291 NR 22 TC 30 Z9 31 U1 2 U2 23 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0887-6266 J9 J POLYM SCI POL PHYS JI J. Polym. Sci. Pt. B-Polym. Phys. PD APR 15 PY 2005 VL 43 IS 8 BP 1005 EP 1013 DI 10.1002/polb.20390 PG 9 WC Polymer Science SC Polymer Science GA 911IF UT WOS:000227995100012 ER PT J AU Ellis, J Dogariu, A Ponomarenko, S Wolf, E AF Ellis, J Dogariu, A Ponomarenko, S Wolf, E TI Degree of polarization of statistically stationary electromagnetic fields SO OPTICS COMMUNICATIONS LA English DT Article DE polarization; statistical electromagnetic fields AB The analysis presented in this paper resolves an outstanding controversial issue of statistical optics, concerning the existence of the degree of polarization of any random, statistically stationary electromagnetic field. We show that the second-order electric spectral correlation matrix at any point in such a field may be uniquely expressed as the sum of three matrices, the first of which represents a completely polarized contribution. The ratio of the average intensity of the polarized part to the total average intensity provides a unique and unambiguous definition of the spectral degree of polarization of the electric field. It may be expressed by a simple formula in terms of the eigenvalues of the correlation matrix of the electric field and it reduces, for the two-dimensional case, to the usual well-known expression for the degree of polarization of beam-like fields. The results of this paper are of special interest for near-field optics. (c) 2005 Elsevier B.V. All rights reserved. C1 Univ Cent Florida, CREOL, Sch Opt, Orlando, FL 32816 USA. Univ Rochester, Dept Phys & Astron, Rochester, NY 14627 USA. Univ Rochester, Inst Opt, Rochester, NY 14627 USA. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Wolf, E (reprint author), Univ Cent Florida, CREOL, Sch Opt, Cent Florida Blvd, Orlando, FL 32816 USA. EM ewlupus@pas.rochester.edu NR 10 TC 79 Z9 81 U1 0 U2 7 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 2005 VL 248 IS 4-6 BP 333 EP 337 DI 10.1016/j.optcom.2004.12.050 PG 5 WC Optics SC Optics GA 917TU UT WOS:000228492900004 ER PT J AU Bouhelier, A Wiederrecht, GP AF Bouhelier, A Wiederrecht, GP TI Surface plasmon rainbow jets SO OPTICS LETTERS LA English DT Article ID POLARITONS; PROPAGATION; SCATTERING; LIGHT; EXCITATION; OPTICS; DEFECT; FILMS; THIN AB A new method for optically exciting and visualizing surface plasmons in thin metal films is described. The technique relies on the use of a high-numerical-aperture objective lens to locally launch a broad wavelength spectrum of surface waves and to detect the leaky radiative modes associated with them. We used this approach to obtain a direct visualization of the plasmon intensity distributions, e.g., rainbow jets, and to quantify their propagation lengths throughout the visible spectrum. (c) 2005 Optical Society of America. C1 Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Bouhelier, A (reprint author), Argonne Natl Lab, Div Chem, 9700 S Cass Ave, Argonne, IL 60439 USA. EM bouhelier@anl.gov; wiederrecht@anl.gov RI Bouhelier, Alexandre/A-1960-2010 NR 24 TC 33 Z9 34 U1 2 U2 19 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 2005 VL 30 IS 8 BP 884 EP 886 DI 10.1364/OL.30.000884 PG 3 WC Optics SC Optics GA 914NY UT WOS:000228235800025 PM 15865387 ER PT J AU Kim, YH Grice, WP AF Kim, YH Grice, WP TI Measurement of the spectral properties of the two-photon state generated via type II spontaneous parametric downconversion SO OPTICS LETTERS LA English DT Article ID DOWN-CONVERSION; QUANTUM; PAIRS AB We report complete measurement of the spectral properties of photon pairs generated via spontaneous parametric downconversion. The measurements, which include not only single-photon spectra but also two-photon joint spectra, were performed for both cw and ultrafast-pumping configurations. In agreement with theoretical predictions, the spectra for the ultrafast-pumped case reveal asymmetries that are not present with cw pumping. (c) 2005 Optical Society of America. C1 Pohang Univ Sci & Technol, POSTECH, Dept Phys, Pohang 790784, South Korea. Oak Ridge Natl Lab, Comp Sci & Math Div, Ctr Engn Sci Adv Res, Oak Ridge, TN 37831 USA. RP Kim, YH (reprint author), Pohang Univ Sci & Technol, POSTECH, Dept Phys, Pohang 790784, South Korea. EM yoonho@postech.ac.kr RI Kim, Yoonho/D-2591-2012; Grice, Warren/L-8466-2013; OI Grice, Warren/0000-0003-4266-4692 NR 15 TC 56 Z9 56 U1 3 U2 10 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 0146-9592 EI 1539-4794 J9 OPT LETT JI Opt. Lett. PD APR 15 PY 2005 VL 30 IS 8 BP 908 EP 910 DI 10.1364/OL.30.000908 PG 3 WC Optics SC Optics GA 914NY UT WOS:000228235800033 PM 15865395 ER PT J AU Somorjai, GA Marsh, AL AF Somorjai, GA Marsh, AL TI Active sites and states in the heterogeneous catalysis of carbon-hydrogen bonds SO PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES LA English DT Article DE catalysis; platinum; single crystal surfaces; sum frequency generation; scanning tunnelling microscopy ID SUM-FREQUENCY GENERATION; SCANNING-TUNNELING-MICROSCOPY; SINGLE-CRYSTAL SURFACES; ENERGY-ELECTRON-DIFFRACTION; ETHYLENE HYDROGENATION; STRUCTURE SENSITIVITY; HIGH-PRESSURE; VIBRATIONAL SPECTROSCOPY; C-6 HYDROCARBONS; THERMAL-DESORPTION AB C-H bond activation for several alkenes (ethylene, propylene, isobutene, cyclohexene and 1-hexene) and alkanes (methane, ethane, n-hexane, 2-methylpentane and 3-methylpentane) has been studied on the (111) crystal face of platinum as a function of temperature at low (< 10(-6) Torr) and high (>= 1 Torr) pressures in the absence and presence of hydrogen pressures ( 10 Torr). Sum frequency generation (SFG) vibrational spectroscopy has been used to characterize the adsorbate structures and high pressure scanning tunnelling microscopy (HP-STM) has been used to monitor their surface mobility under reaction conditions during hydrogenation, dehydrogenation and CO poisoning. C-H bond dissociation occurs at low temperatures, approximately 250 K, for all of these molecules, although only at high pressures for the weakly bound alkalies because of their low desorption temperatures. Bond dissociation is known to be surface structure sensitive and we find that it is also accompanied by the restructuring of the metal surface. The presence of hydrogen slows down dehydrogenation and for some of the molecules it influences the molecular rearrangement, thus altering reaction selectivity. Surface mobility of adsorbates is essential to produce catalytic activity. When surface diffusion is inhibited by CO adsorption, ordered surface structures form and the reaction is poisoned. Ethylene hydrogenation is surface structure insensitive, while cyclohexene hydrogenation and dehydrogenation are structure sensitive. n-Hexane and other C-6 alkalies form either upright or flat-lying molecules on the platinum surface which react to produce branched isomers or benzene, respectively. C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Div Mat & Chem 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 39 TC 25 Z9 25 U1 6 U2 37 PU ROYAL SOCIETY PI LONDON PA 6-9 CARLTON HOUSE TERRACE, LONDON SW1Y 5AG, ENGLAND SN 1364-503X J9 PHILOS T ROY SOC A JI Philos. Trans. R. Soc. A-Math. Phys. Eng. Sci. PD APR 15 PY 2005 VL 363 IS 1829 BP 879 EP 900 DI 10.1098/rsta.2004.1543 PG 22 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 935LA UT WOS:000229782600008 PM 15901541 ER PT J AU Aubert, B Barate, R Boutigny, D Couderc, F Karyotakis, Y Lees, JP Poireau, V Tisserand, V Zghiche, A Grauges-Pous, E 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 Kukartsev, G Lynch, G Mir, LM Oddone, PJ Orimoto, TJ Pripstein, M Roe, NA Ronan, MT Wenzel, WA Barrett, M Ford, KE Harrison, TJ Hart, AJ Hawkes, CM Morgan, SE Watson, AT Fritsch, M Goetzen, K Held, T Koch, H Lewandowski, B Pelizaeus, M Schroeder, T Steinke, M Boyd, JT Chevalier, N Cottingham, WN Kelly, MP Latham, TE Wilson, FF Cuhadar-Donszelmann, T Hearty, C Knecht, NS Mattison, TS McKenna, JA Thiessen, D Khan, A Kyberd, P Teodorescu, L Blinov, AE Blinov, VE Druzhinin, VP Golubev, VB Ivanchenko, VN Kravchenko, EA Onuchin, AP Serednyakov, SI Skovpen, YI Solodov, EP Yushkov, AN Best, D Bruinsma, M Chao, M Eschrich, I Kirkby, D Lankford, AJ Mandelkern, M Mommsen, RK Roethel, W Stoker, DP Buchanan, C Hartfiel, BL Weinstein, AJR Foulkes, SD Gary, JW Long, O Shen, BC Wang, K del Re, D Hadavand, HK Hill, EJ MacFarlane, DB Paar, HP Rahatlou, S Sharma, V Berryhill, JW Campagnari, C Cunha, A Dahmes, B Hong, TM Lu, A Mazur, MA Richman, JD Verkerke, W Beck, TW Eisner, AM Heusch, CA Kroseberg, J Lockman, WS Nesom, G Schalk, T Schumm, BA Seiden, A Spradlin, P Williams, DC Wilson, MG Albert, J Chen, E Dubois-Felsmann, GP Dvoretskii, A Hitlin, DG Narsky, I Piatenko, T Porter, FC Ryd, A Samuel, A Yang, S Jayatilleke, S Mancinelli, G Meadows, BT Sokoloff, MD Blanc, F Bloom, P Chen, S Ford, WT Nauenberg, U Olivas, A Rankin, P Ruddick, WO Smith, JG Ulmer, KA Zhang, J Zhang, L Chen, A Eckhart, EA Harton, JL Soffer, A Toki, WH Wilson, RJ Zeng, Q Spaan, B Altenburg, D Brandt, T Brose, J Dickopp, M Feltresi, E Hauke, A Lacker, HM Nogowski, R Otto, S Petzold, A Schubert, J Schubert, KR Schwierz, R Sundermann, JE Bernard, D Bonneaud, GR Grenier, P Schrenk, S Thiebaux, C Vasileiadis, G Verderi, M Bard, DJ Clark, PJ Muheim, F Playfer, S Xie, Y Andreotti, M Azzolini, V Bettoni, D Bozzi, C Calabrese, R Cibinetto, G Luppi, E Negrini, M Piemontese, L Sarti, A Anulli, F Baldini-Ferroli, R Calcaterra, A de Sangro, R Finocchiaro, G Patteri, P Peruzzi, IM Piccolo, 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 Brandenburg, G Chaisanguanthum, KS Morii, M Won, E Dubitzky, RS Langenegger, U Marks, J Uwer, U Bhimji, W Bowerman, DA Dauncey, PD Egede, U Gaillard, JR Morton, GW Nash, JA Nikolich, MB Taylor, GP Charles, MJ Grenier, GJ Mallik, U Cochran, J Crawley, HB Lamsa, J Meyer, WT Prell, S Rosenberg, EI Rubin, AE Yi, J Arnaud, N Davier, M Giroux, X Grosdidier, G Hocker, A Le Diberder, F Lepeltier, V Lutz, AM Petersen, TC Plaszczynski, S Schune, MH Wormser, G Cheng, CH Lange, DJ Simani, MC Wright, DM Bevan, AJ Chavez, CA Coleman, JP Forster, IJ Fry, JR Gabathuler, E Gamet, R Hutchcroft, DE Parry, RJ Payne, DJ Touramanis, C Cormack, CM Di Lodovico, F Brown, CL Cowan, G Flack, RL Flaecher, HU Green, MG Jackson, PS McMahon, TR Ricciardi, S Salvatore, F Winter, MA Brown, D Davis, CL Allison, J Barlow, NR Barlow, RJ Hodgkinson, MC Lafferty, GD Williams, JC Chen, C Farbin, A Hulsbergen, WD Jawahery, A Kovalskyi, D Lae, CK Lillard, V Roberts, DA Blaylock, G Dallapiccola, C Hertzbach, SS Kofler, R Koptchev, VB Moore, TB Saremi, S Staengle, H Willocq, S Cowan, R Koeneke, K Sciolla, G Sekula, SJ Taylor, F Yamamoto, RK Patel, PM Robertson, SH Lazzaro, A Lombardo, V Palombo, F Bauer, JM Cremaldi, L Eschenburg, V Godang, R Kroeger, R Reidy, J Sanders, DA Summers, DJ Zhao, HW Brunet, S Cote, D Taras, P Nicholson, H Cavallo, N Fabozzi, F Gatto, C Lista, L Monorchio, D Paolucci, P Piccolo, D Sciacca, C Baak, M Bulten, H Raven, G Snoek, HL Wilden, L Jessop, CP LoSecco, JM Allmendinger, T Benelli, G Gan, KK Honscheid, K Hufnagel, D Kagan, H Kass, R Pulliam, T Rahimi, AM Ter-Antonyan, R Wong, QK Brau, J Frey, R Igonkina, O Lu, M 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 Voci, C Benayoun, M Briand, H Chauveau, J David, P de la Vaissiere, C Del Buono, L Hamon, O John, MJJ Leruste, P Malcles, J Ocariz, J Roos, L Therin, G Behera, PK Gladney, L Guo, QH Panetta, J Biasini, M Covarelli, R Pioppi, M Angelini, C Batignani, G Bettarini, S Bondioli, M Bucci, F Calderini, G Carpinelli, M Forti, F Giorgi, MA Lusiani, A Marchiori, G Morganti, M Neri, N Paoloni, E Rama, M Rizzo, G Simi, G Walsh, J Haire, M Judd, D Paick, K Wagoner, DE Danielson, N Elmer, P Lau, YP Lu, C Miftakov, V Olsen, J 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Soha, A Stelzer, J Strube, J Su, D Sullivan, MK Thompson, J Va'vra, J Wagner, SR Weaver, M Wisniewski, WJ Wittgen, M Wright, DH Yarritu, AK Young, CC Burchat, PR Edwards, AJ Majewski, SA Petersen, BA Roat, C Ahmed, M Ahmed, S Alam, MS Ernst, JA Saeed, MA Saleem, M Wappler, FR Bugg, W Krishnamurthy, M Spanier, SM Eckmann, R Kim, H Ritchie, JL Satpathy, A Schwitters, RF Izen, JM Kitayama, I Lou, XC Ye, S Bianchi, F Bona, M Gallo, F Gamba, D Bosisio, L Cartaro, C Cossutti, F Della Ricca, G Dittongo, S Grancagnolo, S Lanceri, L Poropat, P Vitale, L Vuagnin, G Martinez-Vidal, F Panvini, RS Banerjee, S Bhuyan, B Brown, CM Fortin, D Jackson, PD Kowalewski, R Roney, JM Sobie, RJ Back, JJ Harrison, PF Mohanty, GB Band, HR Chen, X Cheng, B Dasu, S Datta, M Eichenbaum, AM Flood, KT Graham, M Hollar, JJ Johnson, JR Kutter, PE Li, H Liu, R Mihalyi, A Pan, Y Prepost, R Tan, P von Wimmersperg-Toeller, JH Wu, J Wu, SL Yu, Z Greene, MG Neal, H AF Aubert, B Barate, R Boutigny, D Couderc, F Karyotakis, Y Lees, JP Poireau, V Tisserand, V Zghiche, A Grauges-Pous, E 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 Kukartsev, G Lynch, G Mir, LM Oddone, PJ Orimoto, TJ Pripstein, M Roe, NA Ronan, MT Wenzel, WA Barrett, M Ford, KE Harrison, TJ Hart, AJ Hawkes, CM Morgan, SE Watson, AT Fritsch, M Goetzen, K Held, T Koch, H Lewandowski, B Pelizaeus, M Schroeder, T Steinke, M Boyd, JT Chevalier, N Cottingham, WN Kelly, MP Latham, TE Wilson, FF Cuhadar-Donszelmann, T Hearty, C Knecht, NS Mattison, TS McKenna, JA Thiessen, D Khan, A Kyberd, P Teodorescu, L Blinov, AE Blinov, VE Druzhinin, VP Golubev, VB Ivanchenko, VN Kravchenko, EA Onuchin, AP Serednyakov, SI Skovpen, YI Solodov, EP Yushkov, AN Best, D Bruinsma, M Chao, M Eschrich, I Kirkby, D Lankford, AJ Mandelkern, M Mommsen, RK Roethel, W Stoker, DP Buchanan, C Hartfiel, BL Weinstein, AJR Foulkes, SD Gary, JW Long, O Shen, BC Wang, K del Re, D Hadavand, HK Hill, EJ MacFarlane, DB Paar, HP Rahatlou, S Sharma, V Berryhill, JW Campagnari, C Cunha, A Dahmes, B Hong, TM Lu, A Mazur, MA Richman, JD Verkerke, W Beck, TW Eisner, AM Heusch, CA Kroseberg, J Lockman, WS Nesom, G Schalk, T Schumm, BA Seiden, A Spradlin, P Williams, DC Wilson, MG Albert, J Chen, E Dubois-Felsmann, GP Dvoretskii, A Hitlin, DG Narsky, I Piatenko, T Porter, FC Ryd, A Samuel, A Yang, S Jayatilleke, S Mancinelli, G Meadows, BT Sokoloff, MD Blanc, F Bloom, P Chen, S Ford, WT Nauenberg, U Olivas, A Rankin, P Ruddick, WO Smith, JG Ulmer, KA Zhang, J Zhang, L Chen, A Eckhart, EA Harton, JL Soffer, A Toki, WH Wilson, RJ Zeng, Q Spaan, B Altenburg, D Brandt, T Brose, J Dickopp, M Feltresi, E Hauke, A Lacker, HM Nogowski, R Otto, S Petzold, A Schubert, J Schubert, KR Schwierz, R Sundermann, JE Bernard, D Bonneaud, GR Grenier, P Schrenk, S Thiebaux, C Vasileiadis, G Verderi, M Bard, DJ Clark, PJ Muheim, F Playfer, S Xie, Y Andreotti, M Azzolini, V Bettoni, D Bozzi, C Calabrese, R Cibinetto, G Luppi, E Negrini, M Piemontese, L Sarti, A Anulli, F Baldini-Ferroli, R Calcaterra, A de Sangro, R Finocchiaro, G Patteri, P Peruzzi, IM Piccolo, 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 Brandenburg, G Chaisanguanthum, KS Morii, M Won, E Dubitzky, RS Langenegger, U Marks, J Uwer, U Bhimji, W Bowerman, DA Dauncey, PD Egede, U Gaillard, JR Morton, GW Nash, JA Nikolich, MB Taylor, GP Charles, MJ Grenier, GJ Mallik, U Cochran, J Crawley, HB Lamsa, J Meyer, WT Prell, S Rosenberg, EI Rubin, AE Yi, J Arnaud, N Davier, M Giroux, X Grosdidier, G Hocker, A Le Diberder, F Lepeltier, V Lutz, AM Petersen, TC Plaszczynski, S Schune, MH Wormser, G Cheng, CH Lange, DJ Simani, MC Wright, DM Bevan, AJ Chavez, CA Coleman, JP Forster, IJ Fry, JR Gabathuler, E Gamet, R Hutchcroft, DE Parry, RJ Payne, DJ Touramanis, C Cormack, CM Di Lodovico, F Brown, CL Cowan, G Flack, RL Flaecher, HU Green, MG Jackson, PS McMahon, TR Ricciardi, S Salvatore, F Winter, MA Brown, D Davis, CL Allison, J Barlow, NR Barlow, RJ Hodgkinson, MC Lafferty, GD Williams, JC Chen, C Farbin, A Hulsbergen, WD Jawahery, A Kovalskyi, D Lae, CK Lillard, V Roberts, DA Blaylock, G Dallapiccola, C Hertzbach, SS Kofler, R Koptchev, VB Moore, TB Saremi, S Staengle, H Willocq, S Cowan, R Koeneke, K Sciolla, G Sekula, SJ Taylor, F Yamamoto, RK Patel, PM Robertson, SH Lazzaro, A Lombardo, V Palombo, F Bauer, JM Cremaldi, L Eschenburg, V Godang, R Kroeger, R Reidy, J Sanders, DA Summers, DJ Zhao, HW Brunet, S Cote, D Taras, P Nicholson, H Cavallo, N Fabozzi, F Gatto, C Lista, L Monorchio, D Paolucci, P Piccolo, D Sciacca, C Baak, M Bulten, H Raven, G Snoek, HL Wilden, L Jessop, CP LoSecco, JM Allmendinger, T Benelli, G Gan, KK Honscheid, K Hufnagel, D Kagan, H Kass, R Pulliam, T Rahimi, AM Ter-Antonyan, R Wong, QK Brau, J Frey, R Igonkina, O Lu, M 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 Voci, C Benayoun, M Briand, H Chauveau, J David, P de la Vaissiere, C Del Buono, L Hamon, O John, MJJ Leruste, P Malcles, J Ocariz, J Roos, L Therin, G Behera, PK Gladney, L Guo, QH Panetta, J Biasini, M Covarelli, R Pioppi, M Angelini, C Batignani, G Bettarini, S Bondioli, M Bucci, F Calderini, G Carpinelli, M Forti, F Giorgi, MA Lusiani, A Marchiori, G Morganti, M Neri, N Paoloni, E Rama, M Rizzo, G Simi, G Walsh, J Haire, M Judd, D Paick, K Wagoner, DE Danielson, N Elmer, P Lau, YP Lu, C Miftakov, V Olsen, J Smith, AJS Telnov, AV Bellini, F Cavoto, G D'Orazio, A Di Marco, E Faccini, R Ferrarotto, F Ferroni, F Gaspero, M Li Gioi, L Mazzoni, MA Morganti, S Pierini, M Piredda, G Polci, F Safai Tehrani, F Voena, C Christ, S Schroder, H Wagner, G Waldi, R Adye, T De Groot, N Franek, B Gopal, GP Olaiya, EO Aleksan, R Emery, S Gaidot, A Ganzhur, SF Giraud, PF de Monchenault, GH Kozanecki, W Legendre, M London, GW Mayer, B Schott, G Vasseur, G Yeche, C Zito, M Purohit, MV Weidemann, AW Wilson, JR Yumiceva, FX Abe, T Allen, M Aston, D Bartoldus, R Berger, N Boyarski, AM Buchmueller, OL Claus, R Convery, MR Cristinziani, M De Nardo, G Dingfelder, JC Dong, D Dorfan, J Dujmic, D Dunwoodie, W Fan, S Field, RC Glanzman, T Gowdy, SJ Hadig, T Halyo, V Hast, C Hryn'ova, T Innes, WR Kelsey, MH Kim, P Kocian, ML Leith, DWGS Libby, J Luitz, S Luth, V Lynch, HL Marsiske, H Messner, R Muller, DR O'Grady, CP Ozcan, VE Perazzo, A Perl, M Ratcliff, BN Roodman, A Salnikov, AA Schindler, RH Schwiening, J Snyder, A Soha, A Stelzer, J Strube, J Su, D Sullivan, MK Thompson, J Va'vra, J Wagner, SR Weaver, M Wisniewski, WJ Wittgen, M Wright, DH Yarritu, AK Young, CC Burchat, PR Edwards, AJ Majewski, SA Petersen, BA Roat, C Ahmed, M Ahmed, S Alam, MS Ernst, JA Saeed, MA Saleem, M Wappler, FR Bugg, W Krishnamurthy, M Spanier, SM Eckmann, R Kim, H Ritchie, JL Satpathy, A Schwitters, RF Izen, JM Kitayama, I Lou, XC Ye, S Bianchi, F Bona, M Gallo, F Gamba, D Bosisio, L Cartaro, C Cossutti, F Della Ricca, G Dittongo, S Grancagnolo, S Lanceri, L Poropat, P Vitale, L Vuagnin, G Martinez-Vidal, F Panvini, RS Banerjee, S Bhuyan, B Brown, CM Fortin, D Jackson, PD Kowalewski, R Roney, JM Sobie, RJ Back, JJ Harrison, PF Mohanty, GB Band, HR Chen, X Cheng, B Dasu, S Datta, M Eichenbaum, AM Flood, KT Graham, M Hollar, JJ Johnson, JR Kutter, PE Li, H Liu, R Mihalyi, A Pan, Y Prepost, R Tan, P von Wimmersperg-Toeller, JH Wu, J Wu, SL Yu, Z Greene, MG Neal, H CA BABAR Collaboration TI Measurement of branching fractions and charge asymmetries for exclusive B decays to charmonium SO PHYSICAL REVIEW LETTERS LA English DT Article ID MESONS AB We report measurements of branching fractions and charge asymmetries of exclusive decays of neutral and charged B mesons into two-body final states containing a charmonium state and a light strange meson. The charmonium mesons considered are J/psi, psi(2S) and chi(c1), and the light meson is either K or K*. We use a sample of about 124x10(6) B(B) over bar pairs collected with the BABAR detector at the PEP-II storage ring at the Stanford Linear Accelerator Center. C1 Phys Particules Lab, F-74941 Annecy Le Vieux, France. Univ Autonoma Barcelona, E-08193 Barcelona, Spain. Univ Bari, Dipartmento 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. Univ Calif Berkeley, Berkeley, CA 94720 USA. Lawrence Berkeley Lab, 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 Colorado, Boulder, CO 80309 USA. Colorado State Univ, Ft Collins, CO 80523 USA. Univ Dortmund, Inst Phys, D-44221 Dortmund, Germany. 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. 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. Heidelberg Univ, Inst Phys, D-69120 Heidelberg, Germany. Univ London Imperial Coll Sci Technol & Med, London SW7 2AZ, England. Univ Iowa, Iowa City, IA 52242 USA. Iowa State Univ Sci & Technol, Ames, IA 50011 USA. Lab Accelerateur Lineaire, F-91898 Orsay, France. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Univ Liverpool, Liverpool L69 72E, Merseyside, England. 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 Fis, I-80126 Naples, Italy. Univ Naples Federico II, Ist Nazl Fis Nucl, I-80126 Naples, Italy. Natl Inst Nucl Phys & High Energy Phys, NIKHEF, NL-1009 DB Amsterdam, Netherlands. Univ Notre Dame, Notre Dame, IN 46556 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, Phys Theor & Hautes Energies Lab, F-75252 Paris, France. Univ Paris 07, Phys Theor & Hautes Energies Lab, F-75252 Paris, France. Univ Penn, Philadelphia, PA 19104 USA. Univ Perugia, Dipartimento Fis, I-06100 Perugia, Italy. Univ Perugia, Ist Nazl Fis Nucl, I-06100 Perugia, Italy. Univ Pisa, Dipartimento Fis, Scuola Normale Super, 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. Univ Valencia, E-46100 Burjassot, Spain. Vanderbilt Univ, Nashville, TN 37235 USA. Univ Victoria, Victoria, BC V8W 3P6, Canada. Univ Warwick, Dept Phys, Coventry CV4 7AL, W Midlands, England. Univ Wisconsin, Madison, WI 53706 USA. Yale Univ, New Haven, CT 06511 USA. Univ Basilicata, I-85100 Potenza, Italy. RP Phys Particules Lab, F-74941 Annecy Le Vieux, France. RI Kravchenko, Evgeniy/F-5457-2015; Calcaterra, Alessandro/P-5260-2015; Frey, Raymond/E-2830-2016; Rizzo, Giuliana/A-8516-2015; Martinez Vidal, F*/L-7563-2014; Kolomensky, Yury/I-3510-2015; Cavallo, Nicola/F-8913-2012; Luppi, Eleonora/A-4902-2015; Calabrese, Roberto/G-4405-2015; Lusiani, Alberto/A-3329-2016; Lusiani, Alberto/N-2976-2015; Grancagnolo, Sergio/J-3957-2015; Morandin, Mauro/A-3308-2016; Della Ricca, Giuseppe/B-6826-2013; Mir, Lluisa-Maria/G-7212-2015; Sarti, Alessio/I-2833-2012; crosetti, nanni/H-3040-2011; Lista, Luca/C-5719-2008; Saeed, Mohammad Alam/J-7455-2012; de Sangro, Riccardo/J-2901-2012; Patrignani, Claudia/C-5223-2009; Lo Vetere, Maurizio/J-5049-2012; Negrini, Matteo/C-8906-2014; Forti, Francesco/H-3035-2011; Monge, Maria Roberta/G-9127-2012; Bellini, Fabio/D-1055-2009; de Groot, Nicolo/A-2675-2009; Neri, Nicola/G-3991-2012; Rotondo, Marcello/I-6043-2012 OI Paoloni, Eugenio/0000-0001-5969-8712; Carpinelli, Massimo/0000-0002-8205-930X; Sciacca, Crisostomo/0000-0002-8412-4072; Adye, Tim/0000-0003-0627-5059; Lafferty, George/0000-0003-0658-4919; Faccini, Riccardo/0000-0003-2613-5141; Cristinziani, Markus/0000-0003-3893-9171; Cavoto, Gianluca/0000-0003-2161-918X; Wilson, Robert/0000-0002-8184-4103; Calcaterra, Alessandro/0000-0003-2670-4826; Frey, Raymond/0000-0003-0341-2636; Bettarini, Stefano/0000-0001-7742-2998; Cibinetto, Gianluigi/0000-0002-3491-6231; Galeazzi, Fulvio/0000-0002-6830-9982; Covarelli, Roberto/0000-0003-1216-5235; Rizzo, Giuliana/0000-0003-1788-2866; Strube, Jan/0000-0001-7470-9301; Barlow, Roger/0000-0002-8295-8612; Chen, Chunhui /0000-0003-1589-9955; Raven, Gerhard/0000-0002-2897-5323; Martinez Vidal, F*/0000-0001-6841-6035; Kolomensky, Yury/0000-0001-8496-9975; Luppi, Eleonora/0000-0002-1072-5633; Calabrese, Roberto/0000-0002-1354-5400; Lusiani, Alberto/0000-0002-6876-3288; Lusiani, Alberto/0000-0002-6876-3288; Grancagnolo, Sergio/0000-0001-8490-8304; Morandin, Mauro/0000-0003-4708-4240; Della Ricca, Giuseppe/0000-0003-2831-6982; Mir, Lluisa-Maria/0000-0002-4276-715X; Sarti, Alessio/0000-0001-5419-7951; Saeed, Mohammad Alam/0000-0002-3529-9255; de Sangro, Riccardo/0000-0002-3808-5455; Patrignani, Claudia/0000-0002-5882-1747; Lo Vetere, Maurizio/0000-0002-6520-4480; Negrini, Matteo/0000-0003-0101-6963; Forti, Francesco/0000-0001-6535-7965; Monge, Maria Roberta/0000-0003-1633-3195; Bellini, Fabio/0000-0002-2936-660X; Neri, Nicola/0000-0002-6106-3756; Rotondo, Marcello/0000-0001-5704-6163 NR 14 TC 18 Z9 18 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 15 PY 2005 VL 94 IS 14 AR 141801 DI 10.1103/PhysRevLett.94.141801 PG 7 WC Physics, Multidisciplinary SC Physics GA 916MU UT WOS:000228390600006 PM 15904057 ER PT J AU Della Torre, E Bennett, LH Watson, RE AF Della Torre, E Bennett, LH Watson, RE TI Extension of the bloch T-3/2 law to magnetic nanostructures: Bose-Einstein condensation SO PHYSICAL REVIEW LETTERS LA English DT Article AB We report a newly observed phenomenon, namely, the observation of a visible anomaly in the Bloch T-3/2 law for the temperature dependence of magnetization of nanostructured ferromagnets, for which we give a thermodynamic explanation. Our interpretation extends the Bloch law by introducing the system's chemical potential and assumes a finite Bose-Einstein condensation temperature T-BE of the magnons. Our extension involves accounting for the possibility of a magnon or magnetic entropy term, leading to a magnon chemical potential (hitherto omitted in the traditional derivation) which varies with temperature. The result is a subtle upturn of the magnetization curves of ferromagnetic nanoparticles in the 10 to 50 K temperature range. Here we show experimental data for nanomaterials and an outline of the extended theory which includes T-BE. C1 George Washington Univ, Dept Elect & Comp Engn, Washington, DC 20052 USA. Natl Inst Stand & Technol, Gaithersburg, MD 20899 USA. Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Della Torre, E (reprint author), George Washington Univ, Dept Elect & Comp Engn, Washington, DC 20052 USA. NR 9 TC 39 Z9 39 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 15 PY 2005 VL 94 IS 14 AR 147210 DI 10.1103/PhysRevLett.94.147210 PG 3 WC Physics, Multidisciplinary SC Physics GA 916MU UT WOS:000228390600057 PM 15904108 ER PT J AU Eremin, I Morr, DK Chubukov, AV Bennemann, KH Norman, MR AF Eremin, I Morr, DK Chubukov, AV Bennemann, KH Norman, MR TI Novel neutron resonance mode in d(x)2-(y)2-wave superconductors SO PHYSICAL REVIEW LETTERS LA English DT Article ID HIGH-TEMPERATURE SUPERCONDUCTORS; CUPRATE SUPERCONDUCTORS; MAGNETIC EXCITATIONS; SCATTERING; PEAK; YBA2CU3O6+X; COHERENCE AB We show that a new resonant magnetic excitation at incommensurate momenta, observed recently by inelastic neutron scattering experiments on YBa(2)Cu(3)O(6.85) and YBa(2)Cu(3)O(6.6), is a spin exciton. Its location in the Brillouin zone and its frequency are determined by the momentum dependence of the particle-hole continuum. We identify several features that distinguish this novel mode from the previous resonance mode observed near Q=(pi,pi). C1 Free Univ Berlin, Inst Theoret Phys, D-14195 Berlin, Germany. Univ Illinois, Dept Phys, Chicago, IL 60607 USA. Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Eremin, I (reprint author), Free Univ Berlin, Inst Theoret Phys, D-14195 Berlin, Germany. RI Norman, Michael/C-3644-2013; Eremin, Ilya /M-2079-2016 OI Eremin, Ilya /0000-0003-0557-8015 NR 31 TC 91 Z9 91 U1 2 U2 16 PU AMER 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 15 PY 2005 VL 94 IS 14 AR 147001 DI 10.1103/PhysRevLett.94.147001 PG 4 WC Physics, Multidisciplinary SC Physics GA 916MU UT WOS:000228390600043 PM 15904094 ER PT J AU Gaillard, MK AF Gaillard, MK TI R parity from the heterotic string SO PHYSICAL REVIEW LETTERS LA English DT Article ID FAYET-ILIOPOULOS TERMS; ORBIFOLD MODELS; MODULAR INVARIANCE; ANOMALOUS U(1); TARGET SPACE; SOFT TERMS; 3 FAMILIES; COMPACTIFICATIONS; SUPERGRAVITY; CONDENSATION AB In T-duality invariant effective supergravity with gaugino condensation as the mechanism for supersymmetry breaking, there is a residual discrete symmetry that could play the role of R parity in supersymmetric extensions of the standard model. C1 Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Theoret Phys Grp, Berkeley, CA 94720 USA. RP Gaillard, MK (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. NR 29 TC 11 Z9 11 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 15 PY 2005 VL 94 IS 14 AR 141601 DI 10.1103/PhysRevLett.94.141601 PG 4 WC Physics, Multidisciplinary SC Physics GA 916MU UT WOS:000228390600005 PM 15904056 ER PT J AU Jeong, IK Darling, TW Lee, JK Proffen, T Heffner, RH Park, JS Hong, KS Dmowski, W Egami, T AF Jeong, IK Darling, TW Lee, JK Proffen, T Heffner, RH Park, JS Hong, KS Dmowski, W Egami, T TI Direct observation of the formation of polar nanoregions in Pb(Mg1/3Nb2/3)O-3 using neutron pair distribution function analysis SO PHYSICAL REVIEW LETTERS LA English DT Article ID DIFFUSE PHASE-TRANSITION; LEAD MAGNESIUM NIOBATE; X-RAY; RELAXOR FERROELECTRICS; SINGLE-CRYSTALS; LOCAL-STRUCTURE; PBMG1/3NB2/3O3; DIFFRACTION; PEROVSKITES; POLARIZATION AB Using neutron pair distribution function analysis over the temperature range from 1000 to 15 K, we demonstrate the existence of local polarization and the formation of medium-range, polar nanoregions (PNRs) with local rhombohedral order in a prototypical relaxor ferroelectric Pb(Mg1/3Nb2/3)O-3. We estimate the volume fraction of the PNRs as a function of temperature and show that this fraction steadily increases from 0% to a maximum of similar to 30% as the temperature decreases from 650 to 15 K. Below T similar to 200 K the volume fraction of the PNRs becomes significant, and PNRs freeze into the spin-glass-like state. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Seoul Natl Univ, Sch Mat Sci & Engn, Seoul, South Korea. Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Jeong, IK (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. EM jeong@lanl.gov RI Lujan Center, LANL/G-4896-2012; Proffen, Thomas/B-3585-2009 OI Proffen, Thomas/0000-0002-1408-6031 NR 35 TC 184 Z9 184 U1 2 U2 53 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 15 PY 2005 VL 94 IS 14 AR 147602 DI 10.1103/PhysRevLett.94.147602 PG 4 WC Physics, Multidisciplinary SC Physics GA 916MU UT WOS:000228390600062 PM 15904113 ER PT J AU Narayanan, S Lee, DR Guico, RS Sinha, SK Wang, J AF Narayanan, S Lee, DR Guico, RS Sinha, SK Wang, J TI Real-time evolution of the distribution of nanoparticles in an ultrathin-polymer-film-based waveguide SO PHYSICAL REVIEW LETTERS LA English DT Article ID X-RAY-SCATTERING; THIN-FILMS; NANOSTRUCTURES; NANOCOMPOSITE; SURFACES AB We report a novel application of an ultrathin-polymer-film-based, resonance-enhanced x-ray waveguide as a real-time nanoprobe for elucidating dilute, yet disordered, gold nanoparticles embedded in the polymer matrix. This nanoprobe promises a sensitivity enhancement of several orders of magnitude, hence revealing in real time the lateral nanoparticle distribution with subnanometer spatial resolution. We observed that the motion of the nanoparticles is strongly anisotropic, with in-plane coalescence taking place more rapidly than out-of-plane diffusion, which can ultimately facilitate the formation of two-dimensional structures. C1 Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA. Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Narayanan, S (reprint author), Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. NR 19 TC 38 Z9 38 U1 3 U2 20 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 15 PY 2005 VL 94 IS 14 AR 145504 DI 10.1103/PhysRevLett.94.145504 PG 4 WC Physics, Multidisciplinary SC Physics GA 916MU UT WOS:000228390600024 PM 15904075 ER PT J AU Qattan, IA Arrington, J Segel, RE Zheng, X Aniol, K Baker, OK Beams, R Brash, EJ Calarco, J Camsonne, A Chen, JP Christy, ME Dutta, D Ent, R Frullani, S Gaskell, D Gayou, O Gilman, R Glashausser, C Hafidi, K Hansen, JO Higinbotham, DW Hinton, W Holt, RJ Huber, GM Ibrahim, H Jisonna, L Jones, MK Keppel, CE Kinney, E Kumbartzki, GJ Lung, A Margaziotis, DJ McCormick, K Meekins, D Michaels, R Monaghan, P Moussiegt, P Pentchev, L Perdrisat, C Punjabi, V Ransome, R Reinhold, J Reitz, B Saha, A Sarty, A Schulte, EC Slifer, K Solvignon, P Sulkosky, V Wijesooriya, K Zeidman, B AF Qattan, IA Arrington, J Segel, RE Zheng, X Aniol, K Baker, OK Beams, R Brash, EJ Calarco, J Camsonne, A Chen, JP Christy, ME Dutta, D Ent, R Frullani, S Gaskell, D Gayou, O Gilman, R Glashausser, C Hafidi, K Hansen, JO Higinbotham, DW Hinton, W Holt, RJ Huber, GM Ibrahim, H Jisonna, L Jones, MK Keppel, CE Kinney, E Kumbartzki, GJ Lung, A Margaziotis, DJ McCormick, K Meekins, D Michaels, R Monaghan, P Moussiegt, P Pentchev, L Perdrisat, C Punjabi, V Ransome, R Reinhold, J Reitz, B Saha, A Sarty, A Schulte, EC Slifer, K Solvignon, P Sulkosky, V Wijesooriya, K Zeidman, B TI Precision Rosenbluth measurement of the proton elastic form factors SO PHYSICAL REVIEW LETTERS LA English DT Article AB We report the results of a new Rosenbluth measurement of the proton electromagnetic form factors at Q(2) values of 2.64, 3.20, and 4.10 GeV2. Cross sections were determined by detecting the recoiling proton, in contrast to previous measurements which detected the scattered electron. Cross sections were determined to 3%, with relative uncertainties below 1%. The ratio mu(p)G(E)/G(M) was determined to 4%-8% and showed mu(p)G(E)/G(M)approximate to 1. These results are consistent with, and much more precise than, previous Rosenbluth extractions. They are inconsistent with recent polarization transfer measurements of similar precision, implying a systematic difference between the techniques. C1 Northwestern Univ, Evanston, IL 60208 USA. Argonne Natl Lab, Argonne, IL 60439 USA. Calif State Univ Los Angeles, Los Angeles, CA 90032 USA. Hampton Univ, Hampton, VA 23668 USA. Univ Regina, Regina, SK S4S 0A2, Canada. Univ New Hampshire, Durham, NH 03824 USA. Univ Blaise Pascal Clermont Ferrand, Aubiere, France. CNRS IN2P3, Aubiere, France. Jefferson Lab, Newport News, VA 23606 USA. MIT, Cambridge, MA 02139 USA. Ist Nazl Fis Nucl, Sez Sanita, I-00161 Rome, Italy. Univ Colorado, Boulder, CO 80309 USA. Coll William & Mary, Williamsburg, VA 23187 USA. Rutgers State Univ, Piscataway, NJ 08855 USA. Old Dominion Univ, Norfolk, VA 23529 USA. Lab Phys Subatom & Cosmol, F-38026 Grenoble, France. Norfolk State Univ, Norfolk, VA 23529 USA. Florida Int Univ, Miami, FL 33199 USA. St Marys Univ, Halifax, NS B3H 3C3, Canada. Temple Univ, Philadelphia, PA 19122 USA. RP Qattan, IA (reprint author), Northwestern Univ, Evanston, IL 60208 USA. RI Arrington, John/D-1116-2012; Sarty, Adam/G-2948-2014; Higinbotham, Douglas/J-9394-2014; OI Arrington, John/0000-0002-0702-1328; Higinbotham, Douglas/0000-0003-2758-6526; Qattan, Issam/0000-0001-5079-9840 NR 15 TC 154 Z9 156 U1 0 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 15 PY 2005 VL 94 IS 14 AR 142301 DI 10.1103/PhysRevLett.94.142301 PG 5 WC Physics, Multidisciplinary SC Physics GA 916MU UT WOS:000228390600007 PM 15904058 ER PT J AU Rousochatzakis, I Ajiro, Y Mitamura, H Kogerler, P Luban, M AF Rousochatzakis, I Ajiro, Y Mitamura, H Kogerler, P Luban, M TI Hysteresis loops and adiabatic Landau-Zener-Stuckelberg transitions in the magnetic molecule {V-6} SO PHYSICAL REVIEW LETTERS LA English DT Article ID CLUSTER AB We have observed hysteresis loops and abrupt magnetization steps in the magnetic molecule {V-6}, where each molecule comprises a pair of identical spin triangles, in the temperature range 1-5 K for external magnetic fields B with sweep rates of several Tesla per millisecond executing a variety of closed cycles. The hysteresis loops are accurately reproduced using a generalization of the Bloch equation based on direct one-phonon transitions between the instantaneous Zeeman-split levels of the ground state (an S=1/2 doublet) of each spin triangle. The magnetization steps occur for B approximate to 0, and they are explained in terms of adiabatic Landau-Zener-Stuckelberg transitions between the lowest magnetic energy levels as modified by an intertriangle anisotropic exchange of order 0.4 K. C1 Iowa State Univ, Ames Lab, Ames, IA 50011 USA. Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. Kyoto Univ, Dept Chem, Grad Sch Sci, Kyoto 6068502, Japan. Japan Sci & Technol Agcy, CREST, Saitama 3320012, Japan. Univ Tokyo, Inst Solid State Phys, Tokyo 106, Japan. RP Rousochatzakis, I (reprint author), Iowa State Univ, Ames Lab, Ames, IA 50011 USA. EM rusohatz@ameslab.gov RI Rousochatzakis, Ioannis/A-5787-2009; Kogerler, Paul/H-5866-2013 OI Rousochatzakis, Ioannis/0000-0002-5517-8389; Kogerler, Paul/0000-0001-7831-3953 NR 18 TC 35 Z9 36 U1 2 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 15 PY 2005 VL 94 IS 14 AR 147204 DI 10.1103/PhysRevLett.94.147204 PG 4 WC Physics, Multidisciplinary SC Physics GA 916MU UT WOS:000228390600051 PM 15904102 ER PT J AU Schauerte, T Cox, DL Noack, RM van Dongen, PGJ Batista, CD AF Schauerte, T Cox, DL Noack, RM van Dongen, PGJ Batista, CD TI Phase diagram of the two-channel Kondo lattice model in one dimension SO PHYSICAL REVIEW LETTERS LA English DT Article ID QUANTUM RENORMALIZATION-GROUPS; FERMI-LIQUID BEHAVIOR; GROUND-STATE; MONTE-CARLO; FERROMAGNETISM; SYSTEM; ANDERSON AB Employing the density matrix renormalization group method and strong-coupling perturbation theory, we study the phase diagram of the SU(2)xSU(2) Kondo lattice model in one dimension. We show that, at quarter filling, the system can exist in two phases depending on the coupling strength. The weak-coupling phase is dominated by RKKY exchange correlations, while the strong-coupling phase is characterized by strong antiferromagnetic correlations of the channel degree of freedom. These two phases are separated by a quantum critical point. For conduction-band fillings of less than one-quarter, we find a paramagnetic metallic phase at weak coupling and a ferromagnetic phase at moderate to strong coupling. C1 Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. Univ Marburg, Fachbereich Phys, D-35032 Marburg, Germany. Johannes Gutenberg Univ Mainz, Inst Phys, D-55099 Mainz, Germany. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Schauerte, T (reprint author), Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. RI Batista, Cristian/J-8008-2016 NR 39 TC 8 Z9 8 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 15 PY 2005 VL 94 IS 14 AR 147201 DI 10.1103/PhysRevLett.94.147201 PG 4 WC Physics, Multidisciplinary SC Physics GA 916MU UT WOS:000228390600048 PM 15904099 ER PT J AU Shevlin, SA Curioni, A Andreoni, W AF Shevlin, SA Curioni, A Andreoni, W TI Ab initio design of high-k dielectrics: LaxY1-xAlO3 SO PHYSICAL REVIEW LETTERS LA English DT Article ID VIRTUAL-CRYSTAL APPROXIMATION; PEROVSKITE-LIKE COMPOUNDS; HAFNIUM-SILICATE FILMS; ELECTRICAL-PROPERTIES; AMORPHOUS LAALO3; GATE DIELECTRICS; BAND OFFSETS; OXIDES; PB(ZR1-XTI(X))O-3; PSEUDOPOTENTIALS AB We use calculations based on density-functional theory in the virtual crystal approximation for the design of high-k dielectrics, which could offer an alternative to silicon dioxide in complementary metal-oxide semiconductor devices. We show that aluminates LaxY1-xAlO3 alloys derived by mixing aluminum oxide with lanthanum and yttrium oxides have unique physical attributes for a possible application as gate dielectrics when stabilized in the rhombohedral perovskite structure, and which are lost in the orthorhombic modification. Stability arguments locate this interesting composition range as 0.2 < x < 0.4. Phase separation in microdomains is shown to have the tendency to further enhance the dielectric constant. We propose this as a novel family of high-k dielectrics deserving experimental exploration. C1 IBM Res, Zurich Res Lab, CH-8803 Ruschlikon, Switzerland. RP Andreoni, W (reprint author), Oak Ridge Natl Lab, Joint Inst Computat Sci, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. EM and@zurich.ibm.com RI Shevlin, Stephen/G-9269-2011 OI Shevlin, Stephen/0000-0001-5896-0301 NR 46 TC 39 Z9 40 U1 2 U2 14 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 15 PY 2005 VL 94 IS 14 AR 146401 DI 10.1103/PhysRevLett.94.146401 PG 4 WC Physics, Multidisciplinary SC Physics GA 916MU UT WOS:000228390600033 PM 15904084 ER PT J AU Wu, B Liu, J Niu, Q AF Wu, B Liu, J Niu, Q TI Geometric phase for adiabatic evolutions of general quantum states SO PHYSICAL REVIEW LETTERS LA English DT Article ID BOSE-EINSTEIN CONDENSATION; SYSTEMS; MECHANICS; ANGLES; GASES AB The concept of a geometric phase (Berry's phase) is generalized to the case of noneigenstates, which is applicable to both linear and nonlinear quantum systems. This is particularly important to nonlinear quantum systems, where, due to the lack of the superposition principle, the adiabatic evolution of a general state cannot be described in terms of eigenstates. For linear quantum systems, our new geometric phase reduces to a statistical average of Berry's phases. Our results are demonstrated with a nonlinear two-level model. C1 Chinese Acad Sci, Inst Phys, Beijing 100080, Peoples R China. Oak Ridge Natl Lab, Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. Inst Appl Phys & Computat Math, Beijing 100088, Peoples R China. Univ Texas, Dept Phys, Austin, TX 78712 USA. RP Wu, B (reprint author), Chinese Acad Sci, Inst Phys, POB 603, Beijing 100080, Peoples R China. RI Wu, Biao/B-3329-2008; Niu, Qian/G-9908-2013 OI Wu, Biao/0000-0001-9229-5894; NR 25 TC 46 Z9 49 U1 1 U2 10 PU AMER 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 15 PY 2005 VL 94 IS 14 AR 140402 DI 10.1103/PhysRevLett.94.140402 PG 4 WC Physics, Multidisciplinary SC Physics GA 916MU UT WOS:000228390600002 PM 15904053 ER PT J AU Reese, CC Solomatov, VS Baumgardner, JR AF Reese, CC Solomatov, VS Baumgardner, JR TI Scaling laws for time-dependent stagnant lid convection in a spherical shell SO PHYSICS OF THE EARTH AND PLANETARY INTERIORS LA English DT Article DE stagnant lid convection; mantle convection; Nusselt number; initiation of subduction ID LARGE VISCOSITY VARIATIONS; THERMAL-CONVECTION; VARIABLE-VISCOSITY; HEAT-TRANSPORT; FLUID; MANTLE; EVOLUTION; VENUS; RHEOLOGY; PLANETS AB Systematic numerical simulations of time dependent, stagnant lid convection in an internally heated spherical shell are performed in order to obtain scaling relationships for various convective parameters. Convection beneath the lid is time-dependent and characterized by passive upwellings and cold sheet-like downwellings. The heat flux scaling relationship agrees with results from experiment, two-dimensional numerical simulations, and boundary layer stability analysis. Without a mobile lithosphere, low heat transport efficiency and extensive melting during evolution of the terrestrial planets, which are predicted by two-dimensional studies, also apply in fully three-dimensional spherical shell geometry. The scaling relationships for convection induced stresses in the lid are also very similar to those obtained in two dimensions. This supports the idea that initiation of subduction in the stagnant lid convection regime requires a very weak lithosphere. (c) 2004 Elsevier B.V. All rights reserved. C1 Washington Univ, Dept Earth & Planetary Sci, St Louis, MO 63130 USA. Los Alamos Natl Lab, Theoret Div, Los Alamos, NM 87545 USA. RP Reese, CC (reprint author), Washington Univ, Dept Earth & Planetary Sci, Campus Box 1169, St Louis, MO 63130 USA. EM creese@wustl.edu; slava@wustl.edu; johnrb@lanl.gov NR 32 TC 24 Z9 24 U1 1 U2 8 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 2005 VL 149 IS 3-4 BP 361 EP 370 DI 10.1016/j.pepi.2004.11.004 PG 10 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 913HS UT WOS:000228142800011 ER PT J AU Brown, EN Dattelbaum, DM AF Brown, EN Dattelbaum, DM TI The role of crystalline phase on fracture and microstructure evolution of polytetrafluoroethylene (PTFE) SO POLYMER LA English DT Article DE polytetrafluoroethylene (PTFE); phase transformation; J-integral compact tension (CT) ID J-R CURVE; NORMALIZATION METHOD; POLYMERS; TOUGHNESS; DEFORMATION; SPECTROSCOPY; MORPHOLOGY; FRICTION; RAMAN AB Polytetrafluoroethylene (PTFE) is a semi-crystalline polymer, which has been employed in a range of engineering applications due to its extremely low coefficient of friction, resistance to corrosion, and excellent electrical insulation properties. Despite failure-sensitive applications such as surgical implants, aerospace components, motor seals, and barriers for hazardous chemicals, the mechanisms of crack propagation in PTFE have received limited coverage in the literature. Moreover, PTFE exhibits complex crystalline phase behavior that includes four well-characterized phases with both local and long range order. Three crystalline structures (phases II, IV, and I) are observed at atmospheric pressure with transitions between them occurring at 19 and 30 degrees C. This observation provides a unique opportunity for investigation of the effects of a polymers crystalline phase on fracture and microstructure evolution. Moreover, due to the presence of three unique ambient pressure phases near room temperature, it is essential to develop an understanding of the effects of temperature-induced phase transitions on fracture mechanisms of PTFE to prevent failure over the normal range of operating temperatures. In this work, we present values for the J-integral fracture toughness of PTFE for a range of temperatures and loading rates employing the single specimen normalization technique. Crack propagation in PTFE is found to be strongly phase dependent with a brittle-to-ductile transition in the crack propagation behavior associated with the two room temperature phase transitions. Increases in fracture toughness are shown to result from the onset of stable fibril formation bridging the crack plane and increased plastic deformation. The stability of drawing fibrils is primarily determined by temperature and crystalline phase with additional dependence on loading rate and microstructure anisotropy. [LAUR-05-0004] (c) 2005 Elsevier Ltd. All rights reserved. C1 Los Alamos Natl Lab, Mat Sci & Technol Div, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, Dynam Expt & Mat Sci & Technol Div, Los Alamos, NM 87545 USA. RP Brown, EN (reprint author), Los Alamos Natl Lab, Mat Sci & Technol Div, MS E544, Los Alamos, NM 87545 USA. EM en_brown@lanl.gov OI Brown, Eric/0000-0002-6812-7820 NR 47 TC 83 Z9 87 U1 5 U2 44 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0032-3861 J9 POLYMER JI Polymer PD APR 15 PY 2005 VL 46 IS 9 BP 3056 EP 3068 DI 10.1016/j.polymer.2005.01.061 PG 13 WC Polymer Science SC Polymer Science GA 915PA UT WOS:000228315100027 ER PT J AU Lindenberg, AM Larsson, J Sokolowski-Tinten, K Gaffney, KJ Blome, C Synnergren, O Sheppard, J Caleman, C MacPhee, AG Weinstein, D Lowney, DP Allison, TK Matthews, T Falcone, RW Cavalieri, AL Fritz, DM Lee, SH Bucksbaum, PH Reis, DA Rudati, J Fuoss, PH Kao, CC Siddons, DP Pahl, R Als-Nielsen, J Duesterer, S Ischebeck, R Schlarb, H Schulte-Schrepping, H Tschentscher, T Schneider, J von der Linde, D Hignette, O Sette, F Chapman, HN Lee, RW Hansen, TN Techert, S Wark, JS Bergh, M Huldt, G van der Spoel, D Timneanu, N Hajdu, J Akre, RA Bong, E Krejcik, P Arthur, J Brennan, S Luening, K Hastings, JB AF Lindenberg, AM Larsson, J Sokolowski-Tinten, K Gaffney, KJ Blome, C Synnergren, O Sheppard, J Caleman, C MacPhee, AG Weinstein, D Lowney, DP Allison, TK Matthews, T Falcone, RW Cavalieri, AL Fritz, DM Lee, SH Bucksbaum, PH Reis, DA Rudati, J Fuoss, PH Kao, CC Siddons, DP Pahl, R Als-Nielsen, J Duesterer, S Ischebeck, R Schlarb, H Schulte-Schrepping, H Tschentscher, T Schneider, J von der Linde, D Hignette, O Sette, F Chapman, HN Lee, RW Hansen, TN Techert, S Wark, JS Bergh, M Huldt, G van der Spoel, D Timneanu, N Hajdu, J Akre, RA Bong, E Krejcik, P Arthur, J Brennan, S Luening, K Hastings, JB TI Atomic-scale visualization of inertial dynamics SO SCIENCE LA English DT Article ID X-RAY-DIFFRACTION; FEMTOSECOND LASER-PULSES; STRUCTURAL DYNAMICS; SEMICONDUCTORS; INSB; TRANSITIONS; RESOLUTION; LIQUIDS; SILICON; SI AB The motion of atoms on interatomic potential energy surfaces is fundamental to the dynamics of liquids and solids. An accelerator-based source of femtosecond x-ray pulses allowed us to follow directly atomic displacements on an optically modified energy landscape, leading eventually to the transition from crystalline solid to disordered liquid. We show that, to first order in time, the dynamics are inertial, and we place constraints on the shape and curvature of the transition-state potential energy surface. Our measurements point toward analogies between this nonequilibrium phase transition and the short-time dynamics intrinsic to equilibrium liquids. C1 Stanford Linear Accelerator Ctr, Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. Lund Inst Technol, Dept Phys, S-22100 Lund, Sweden. Univ Jena, Inst Opt & Quantenelektron, D-07743 Jena, Germany. DESY, D-22607 Hamburg, Germany. Univ Oxford, Dept Phys, Clarendon Lab, Oxford OX1 3PU, England. Uppsala Univ, Dept Cell & Mol Biol, Ctr Biomed, SE-75124 Uppsala, Sweden. Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Univ Michigan, FOCUS Ctr, Dept Phys, Ann Arbor, MI 48109 USA. Univ Michigan, Appl Phys Program, Ann Arbor, MI 48109 USA. Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. Univ Chicago, Consortium Adv Radiat Sources, Chicago, IL 60637 USA. Univ Copenhagen, Niels Bohr Inst, DK-2100 Copenhagen, Denmark. Univ Duisburg Essen, Inst Expt Phys, D-45117 Essen, Germany. European Synchrotron Radiat Facil, F-38043 Grenoble, France. Lawrence Livermore Natl Lab, Dept Phys, Livermore, CA 94550 USA. Max Planck Inst Biophys Chem, D-37077 Gottingen, Germany. SLAC, Menlo Pk, CA 94025 USA. RP Lindenberg, AM (reprint author), Stanford Linear Accelerator Ctr, Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. RI van der Spoel, David/A-5471-2008; Chapman, Henry/G-2153-2010; Timneanu, Nicusor/C-7691-2012; Allison, Thomas/F-8060-2012; Sokolowski-Tinten, Klaus/A-5415-2015 OI van der Spoel, David/0000-0002-7659-8526; Chapman, Henry/0000-0002-4655-1743; Timneanu, Nicusor/0000-0001-7328-0400; NR 27 TC 221 Z9 221 U1 3 U2 56 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 15 PY 2005 VL 308 IS 5720 BP 392 EP 395 DI 10.1126/science.1107996 PG 4 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 917TL UT WOS:000228492000046 PM 15831753 ER PT J AU Shan, ZW Stach, EA Wiezorek, JMK Knapp, JA Follstaedt, DM Mao, SX AF Shan, ZW Stach, EA Wiezorek, JMK Knapp, JA Follstaedt, DM Mao, SX TI Response to comment on "grain boundary-mediated plasticity in nanocrystalline nickel" SO SCIENCE LA English DT Editorial Material ID THIN-FILMS; DEFORMATION; GROWTH C1 Univ Pittsburgh, Dept Mech Engn, Pittsburgh, PA 15261 USA. Purdue Univ, Sch Mat Engn, W Lafayette, IN 47907 USA. Univ Pittsburgh, Dept Mat Sci & Engn, Pittsburgh, PA 15261 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Mao, SX (reprint author), Univ Pittsburgh, Dept Mech Engn, Pittsburgh, PA 15261 USA. EM smao@engr.pitt.edu RI Stach, Eric/D-8545-2011; Shan, Zhiwei/B-8799-2014 OI Stach, Eric/0000-0002-3366-2153; NR 9 TC 3 Z9 3 U1 0 U2 31 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 15 PY 2005 VL 308 IS 5720 DI 10.1126/science.1107389 PG 3 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 917TL UT WOS:000228492000031 ER PT J AU Koyanaka, H Takeuchi, K Loong, CK AF Koyanaka, H Takeuchi, K Loong, CK TI Gold recovery from parts-per-trillion-level aqueous solutions by a nanostructured Mn2O3 adsorbent SO SEPARATION AND PURIFICATION TECHNOLOGY LA English DT Article DE gold recovery; manganese oxide adsorbent; gold in seawater; [Au(I)CI2](-) and [Au(III)CI4](-); complexes ID NATURAL-WATERS; ADSORPTION; COMPLEXES AB We introduce a nanostructured Mn2O3-based adsorbent and a low-cost method that is capable of extracting gold, in the form of metallic nano-to-micrometer-size particles, from down to sub-ppm-level aqueous solutions including seawaters with high yield, good selectivity and recyclability, and environmental benignity. The Mn2O3 adsorbent, prepared by low-temperature synthesis followed by acid treatments, exhibits a mass-fractal-like morphology of agglomerated nanometer-size crystallite grains covered with active protonated sites and a surface area of about 120 m(2)/g. For aqueous solutions containing similar to 100 ppm gold, a yield of 70 mg of gold/g of adsorbent was achieved. A Langmuir-type adsorption isotherm was observed, showing a rapid uptake of gold. The method is well suited to gold recovery from very dilute solutions. For example, over 95% of the gold was recovered from seawater samples containing 0. 1 and I ppm of added gold. A pilot study of seawater with I ppt added gold showed similar results. The protonation-suspension-filtration-washing process can be recycled without noticeable degradation in yield. (C) 2004 Published by Elsevier B.V. C1 Argonne Natl Lab, Argonne, IL 60439 USA. Univ Orleans, CNRS, CRMD, F-45071 Orleans, France. Sci Univ Tokyo, Oshamambe, Hokkaido 0493514, Japan. RP Loong, CK (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM ckloong@anl.gov NR 25 TC 21 Z9 21 U1 1 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1383-5866 J9 SEP PURIF TECHNOL JI Sep. Purif. Technol. PD APR 15 PY 2005 VL 43 IS 1 BP 9 EP 15 DI 10.1016/j.seppur.2004.09.005 PG 7 WC Engineering, Chemical SC Engineering GA 913FB UT WOS:000228135900002 ER PT J AU Arm, ST Blanchard, DL Fiskum, SK AF Arm, ST Blanchard, DL Fiskum, SK TI Chemical degradation of an ion exchange resin processing salt solutions SO SEPARATION AND PURIFICATION TECHNOLOGY LA English DT Article DE ion exchange; chemical degradation; oxidation; tank waste; SuperLig AB This paper describes the results from an investigation into the chemical degradation of an organic ion exchange resin, SuperLig(R) 644, over 25 repeated cycles separating cesium from an alkaline solution of sodium salts with subsequent elution. Battelle Pacific Northwest Division (PNWD) tested the resin with a salt solution simulating the radioactive wastes currently stored at Hanford, Washington, USA generated from plutonium production activities. Battelle PNWD used a simulated waste consisting predominantly of nitrate, nitrite and hydroxide salts of sodium for a sodium concentration of similar to 120 g/L. We tested the resin in a column with a bed volume of similar to 10 mL. Battelle PNWD linked probes positioned on the column feed and effluent lines to a spectrometer that analyzed for dissolved oxygen. A cycle test commenced with converting the resin to the sodium form by pumping 0.25 M sodium hydroxide solution through the bed. Battelle PNWD then processed the simulated waste followed by column rinses with 0. 1 M sodium hydroxide solution and de-ionized water. We then eluted the resin with 0.5 M nitric acid solution and the cycle finished with a de-ionized water rinse. The resin bed lost 34% of its mass over the 25 cycles of operation. Some resin appeared to dissolve in the 0.25 M sodium hydroxide regeneration solution since we observed the regeneration effluents of every cycle to be colored deep red-brown. Some regeneration effluents also contained resin fines that settled after similar to l day. In addition, examination of the resin showed the used resin to have apparently higher porosity than the fresh material. The resin appeared to lose approximately 60% of its effective capacity for cesium over the course of the 25 cycles. However, similar to 34% of the resin mass was also lost over this period. Battelle PNWD hypothesizes the difference of 26% to represent a loss in capacity and is presumably due to chemical alteration of the ion exchange sites. In addition, though the weight of resin decreased with each cycle, Battelle PNWD used the same volume of eluant to elate the resin in each cycle, indicating a reduction in elution efficiency. Battelle PNWD assumed resin oxidation to be the major degradation mechanism since oxygen dissolved in the feedstock was consumed upon processing. (C) 2004 Elsevier B.V. All rights reserved. C1 Pacific NW Natl Lab, Battelle Pacific NW Div, Richland, WA 99352 USA. RP Arm, ST (reprint author), Pacific NW Natl Lab, Battelle Pacific NW Div, 902 Battelle Blvd,POB 999, Richland, WA 99352 USA. EM stuart.arm@pnl.gov NR 10 TC 3 Z9 4 U1 1 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1383-5866 J9 SEP PURIF TECHNOL JI Sep. Purif. Technol. PD APR 15 PY 2005 VL 43 IS 1 BP 59 EP 69 DI 10.1016/j.seppur.2004.10.001 PG 11 WC Engineering, Chemical SC Engineering GA 913FB UT WOS:000228135900008 ER PT J AU Nukala, PKVV Simunovic, S Guddati, MN AF Nukala, PKVV Simunovic, S Guddati, MN TI An efficient algorithm for modelling progressive damage accumulation in disordered materials SO INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN ENGINEERING LA English DT Article DE damage evolution; brittle materials; random thresholds model; lattice network; statistical physics ID SPARSE CHOLESKY FACTORIZATION; TOEPLITZ-SYSTEMS; CIRCULANT PRECONDITIONERS; FOURIER ACCELERATION; BREAKDOWN; FRACTURE; MATRIX AB This paper presents an efficient algorithm for the simulation of progressive fracture in disordered quasi-brittle materials using discrete lattice networks. The main computational bottleneck involved in modelling the fracture simulations using large discrete lattice networks stems from the fact that a new large set of linear equations needs to be solved every time a lattice bond is broken. Using the present algorithm, the computational complexity of solving the new set of linear equations after breaking a bond reduces to a simple triangular solves (forward elimination and backward substitution) using the already Cholesky factored matrix. This algorithm using the direct sparse solver is faster than the Fourier accelerated iterative solvers such as the preconditioned conjugate gradient (PCG) solvers, and eliminates the critical slowing down associated with the iterative solvers that is especially severe close to the percolation critical points. Numerical results using random resistor networks for modelling the fracture and damage evolution in disordered materials substantiate the efficiency of the present algorithm. In particular, the proposed algorithm is especially advantageous for fracture simulations wherein ensemble averaging of numerical results is necessary to obtain a realistic lattice system response. Copyright (c) 2005 John Wiley & Sons, Ltd. C1 Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. N Carolina State Univ, Dept Civil Engn, Raleigh, NC 27695 USA. RP Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. EM nukalapk@ornl.gov RI Guddati, Murthy/A-8474-2009 NR 26 TC 9 Z9 9 U1 0 U2 3 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0029-5981 EI 1097-0207 J9 INT J NUMER METH ENG JI Int. J. Numer. Methods Eng. PD APR 14 PY 2005 VL 62 IS 14 BP 1982 EP 2008 DI 10.1002/nme.1257 PG 27 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications SC Engineering; Mathematics GA 912QY UT WOS:000228095700004 ER PT J AU Batista, ER Martin, RL AF Batista, ER Martin, RL TI On the excited states involved in the luminescent probe [Ru(bpy)(2)dppz](2+) SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID LIGHT-SWITCH; DIPYRIDOPHENAZINE COMPLEXES; AB-INITIO; DNA; RUTHENIUM(II); DENSITY; SOLVATION; BINDING; SPECTRA AB The nature of the excited states of [Ru(bpy)(2)dppz](2+) has been investigated using density functional theory with the hybrid functional B3LYP. The excitations were studied via linear response theory (TDDFT) and Delta SCF calculations and the solvent effects were introduced by embedding the molecule in a continuum dielectric medium. It was found that the solvent effects are critical in understanding the nature of the excitations. For the molecule in ethanol, the lowest absorption predicted by TDDFT is a dark state (3)pi -> pi* with the electron and hole spread over the dppz ligand. Next come the excitations of (MLCT)-M-3 between the ruthenium and the dppz and finally the (MLCT)-M-3 excitations between the ruthenium and the bpy ligands not associated with the phenazine. Using Delta SCF calculations two low-lying excited states were identified and the geometry optimized in the presence of the continuum medium. At the optimal geometry the lowest excited state is (MLCT)-M-3 (Ru -> dppz). The (3)pi -> pi* state is found only 0.026 eV higher. C1 Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Martin, RL (reprint author), Los Alamos Natl Lab, Div Theoret, MS B268, Los Alamos, NM 87545 USA. EM rlmartin@lanl.gov NR 25 TC 81 Z9 81 U1 0 U2 14 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 14 PY 2005 VL 109 IS 14 BP 3128 EP 3133 DI 10.1021/jp050673+ PG 6 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 914MC UT WOS:000228230800005 PM 16833639 ER PT J AU Das, JJ Yoshida, M Fresco, ZA Choi, TL Frechet, JMJ Chakraborty, AK AF Das, JJ Yoshida, M Fresco, ZA Choi, TL Frechet, JMJ Chakraborty, AK TI A dendronized polymer is a single-molecule glass SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID LENNARD-JONES MIXTURE; HARD-SPHERE SYSTEMS; SUPERCOOLED LIQUIDS; DIVERGENT SYNTHESIS; DYNAMICS; RELAXATION; TRANSITION; BEHAVIOR; MODEL; SIMULATIONS AB The molecular architecture of dendronized polymers can be tuned to obtain nanoscale objects with desired properties. In this paper, we bring together experiments and computer simulations to study the thermodynamic and dynamic properties of a single dendronized polymer chain. We find that, upon changing certain architectural features, dynamic correlations characterizing backbone conformational fluctuations of a dendronized polymer exhibit dynamics akin to glass-forming bulk liquids. Thus, a dendronized polymer chain is a novel macromolecule that is a single-molecule glass. Over a range of conditions that lead to glassy dynamics, there does not appear to be any thermodynamic singularities. We discuss how a dendronized polymer is a molecular system that can directly test different models of glassy dynamics. We also show that defect densities characteristic of typical synthesis conditions do not alter the material properties of dendronized polymers. C1 Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Chakraborty, AK (reprint author), Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. EM arup@uclink.berkeley.edu RI Das, Jayajit/E-2951-2011; OI Frechet, Jean /0000-0001-6419-0163 NR 43 TC 27 Z9 27 U1 0 U2 4 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 14 PY 2005 VL 109 IS 14 BP 6535 EP 6543 DI 10.1021/jp058081e PG 9 WC Chemistry, Physical SC Chemistry GA 914MF UT WOS:000228231200012 PM 16851734 ER PT J AU Lappe, J Cave, RJ Newton, MD Rostov, IV AF Lappe, J Cave, RJ Newton, MD Rostov, IV TI A theoretical investigation of charge transfer in several substituted acridinium ions SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID ELECTRON-TRANSFER REACTIONS; TRANSITION-METAL-COMPLEXES; GENERALIZED MULLIKEN-HUSH; DENSITY-FUNCTIONAL THEORY; NONEQUILIBRIUM SOLVATION; 9-ARYLACRIDINIUM IONS; SOLVENT POLARITY; MATRIX-ELEMENTS; INVERTED REGION; SHIFT REACTIONS AB We present calculations for various properties of the ground and excited states of several arylamine-substituted acridinium ion systems that have been studied experimentally. Using ab initio and semiempirical quantum mechanical methods together with the generalized Mulliken-Hush (GMH) model, we examine the excitation energies, dipole moment shifts, and electronic coupling elements for the vertical charge shift (CSh) processes in these systems. We also examine solvent effects on these properties using a dielectric continuum reaction field model. The results are in generally good agreement with available experimental results and indicate that there is strong electronic coupling in these systems over a wide range of torsional angles. Nevetheless, the initial and final cationic states remain reasonably well-localized over this range, and thus TICT state formation is unlikely in these systems. Finally, a version of the GMH model based on Koopmans' Theorem is developed and found to yield coupling elements generally within a factor of 2 of the many-electron GMH for a sample acridinium system, but with overestimated adiabatic and diabatic dipole moment differences. C1 Harvey Mudd Coll, Dept Chem, Claremont, CA 91711 USA. Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Cave, RJ (reprint author), Harvey Mudd Coll, Dept Chem, Claremont, CA 91711 USA. EM Robert_Cave@hmc.edu NR 53 TC 36 Z9 36 U1 1 U2 17 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 14 PY 2005 VL 109 IS 14 BP 6610 EP 6619 DI 10.1021/jp0456133 PG 10 WC Chemistry, Physical SC Chemistry GA 914MF UT WOS:000228231200020 PM 16851742 ER PT J AU Nath, SK Curro, JG McCoy, JD AF Nath, SK Curro, JG McCoy, JD TI Density functional theory of realistic models of polyethylene liquids in slit pores: Comparison with Monte Carlo simulations SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID MOLECULAR-DYNAMICS SIMULATIONS; NONUNIFORM POLYATOMIC SYSTEMS; SYMMETRIC DIBLOCK COPOLYMERS; INTEGRAL-EQUATION THEORY; SIMPLE POLYMERS; COMPRESSIBILITY; ALKANES; FLUIDS; MELTS; FIELD AB Density functional theory is applied to study properties of fully detailed, realistic models of polyethylene liquids near surfaces and compared to results from Monte Carlo simulations. When the direct correlation functions from polymer reference interaction site model (PRISM) theory are used as input, the theory somewhat underpredicts the density oscillations near the surface. However, good agreement with simulation is obtained with empirical scaling of the PRISM-predicted direct correlation functions. Effects of attractive interactions are treated using the random-phase approximation. The results of theoretical predictions for the attractive system are also in reasonable agreement with simulation results. In general, the theory performs best when the wall-polymer interaction strength is comparable to polymer-polymer interactions. C1 New Mexico Inst Min & Technol, Dept Mat Engn, Socorro, NM 87801 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. Univ New Mexico, Dept Chem & Nucl Engn, Albuquerque, NM 87131 USA. RP Nath, SK (reprint author), New Mexico Inst Min & Technol, Dept Mat Engn, Socorro, NM 87801 USA. RI McCoy, John/B-3846-2010 OI McCoy, John/0000-0001-5404-1404 NR 32 TC 3 Z9 3 U1 0 U2 0 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 14 PY 2005 VL 109 IS 14 BP 6620 EP 6628 DI 10.1021/jp045597+ PG 9 WC Chemistry, Physical SC Chemistry GA 914MF UT WOS:000228231200021 PM 16851743 ER PT J AU Faeder, J Ladanyi, BM AF Faeder, J Ladanyi, BM TI Solvation dynamics in reverse micelles: The role of headgroup-solute interactions SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID TIME-DEPENDENT FLUORESCENCE; SODIUM DODECYL-SULFATE; CARBON-DIOXIDE SYSTEM; NEAR-CRITICAL PROPANE; MOLECULAR-DYNAMICS; COMPUTER-SIMULATION; POLAR SOLVATION; AEROSOL-OT; NONEQUILIBRIUM SOLVATION; AQUEOUS SOLVATION AB We present molecular dynamics simulation results for solvation dynamics in the water pool of anionicsurfactant reverse micelles (RMs) of varying water content, w(0). The model RMs are designed to represent water/aerosol-OT/oil systems, where aerosol-OT is the common name for sodium bis(2-ethylhexyl)sulfosuccinate. To determine the effects of chromophore-headgroup interactions on solvation dynamics, we compare the results for charge localization in model ionic diatomic chromophores that differ only in charge sign. Electronic excitation in both cases is modeled as charge localization on one of the solute sites. We find dramatic differences in the solvation responses for anionic and cationic chromophores. Solvation dynamics for the cationic chromophore are considerably slower and more strongly w(0)-dependent than those for the anionic chromophore. Further analysis indicates that the difference in the responses can be ascribed in part to the different initial locations of the two chromophores relative to the surfactant interface. In addition, slow motion of the cationic chromophore relative to the interface is the main contributor to the longer-time decay of the solvation response to charge localization in this case. C1 Los Alamos Natl Lab, Theoet Biol & Biophys Grp, Los Alamos, NM 87545 USA. Colorado State Univ, Dept Chem, Ft Collins, CO 80523 USA. RP Ladanyi, BM (reprint author), Los Alamos Natl Lab, Theoet Biol & Biophys Grp, MS K710, Los Alamos, NM 87545 USA. EM bl@lamar.colostate.edu RI Ladanyi, Branka/B-1484-2008 NR 86 TC 94 Z9 94 U1 0 U2 15 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 14 PY 2005 VL 109 IS 14 BP 6732 EP 6740 DI 10.1021/jp045202m PG 9 WC Chemistry, Physical SC Chemistry GA 914MF UT WOS:000228231200035 PM 16851757 ER PT J AU Oberhofer, H Dellago, C Geissler, PL AF Oberhofer, H Dellago, C Geissler, PL TI Biased sampling of nonequilibrium trajectories: Can fast switching simulations outperform conventional free energy calculation methods? SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID MONTE-CARLO; FLUID; ERROR AB We have investigated the maximum computational efficiency of reversible work calculations that change control parameters in a finite amount of time. Because relevant nonequilibrium averages are slow to converge, a bias on the sampling of trajectories can be beneficial. Such a bias, however, can also be employed in conventional methods for computing reversible work, such as thermodynamic integration or umbrella sampling. We present numerical results for a simple one-dimensional model and for a Widom insertion in a soft sphere liquid, indicating that, with an appropriately chosen bias, conventional methods are in fact more efficient. We describe an analogy between nonequilibrium dynamics and mappings between equilibrium ensembles, which suggests that the practical inferiority of fast switching is quite general. Finally, we discuss the relevance of adiabatic invariants in slowly driven Hamiltonian systems for the application of Jarzynski's theorem. C1 Univ Vienna, Fac Phys, A-1090 Vienna, Austria. Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Geissler, PL (reprint author), Univ Vienna, Fac Phys, Boltzmanngasse 5, A-1090 Vienna, Austria. RI Dellago, Christoph/E-1625-2011; OI Oberhofer, Harald/0000-0002-5791-6736 NR 37 TC 94 Z9 96 U1 1 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 14 PY 2005 VL 109 IS 14 BP 6902 EP 6915 DI 10.1021/jp044556a PG 14 WC Chemistry, Physical SC Chemistry GA 914MF UT WOS:000228231200055 PM 16851777 ER PT J AU Barrea, RA Perez, CA Plivelic, TS Bonzi, EV Sanchez, HJ AF Barrea, RA Perez, CA Plivelic, TS Bonzi, EV Sanchez, HJ TI Anisotropic angular distribution of Er L x-rays following photoionization by linearly polarized radiation SO JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS LA English DT Article ID PRODUCTION CROSS-SECTIONS; ELECTRON-IMPACT IONIZATION; AUGER ELECTRONS; SYNCHROTRON-RADIATION; PROTON-IMPACT; PHOTON ENERGIES; SHELL ALIGNMENT; HEAVY-ATOMS; DEPENDENCE; SUBSHELL AB The angular distribution of the Er L emission after photoionization by linearly polarized monochromatic synchrotron radiation has been measured. A dedicated instrumentation, designed for this kind of experiment, allowed observation of even the smallest anisotropy of the < L alpha > line. The experimental anisotropy parameter and degree of alignment parameter show very good agreement with the predicted theoretical values. It has been found that the ion alignment with the incident beam direction is a function of the polarization of the incident beam. Evidence of non-dipole contributions was observed. C1 Argonne Natl Lab, IIT, Biophys Collaborat Access Team, BioCAT, Argonne, IL 60439 USA. Lab Nacl Luz Sincrotron, Campinas, SP, Brazil. Univ Nacl Cordoba, Fac Matemat Astron & Fis, RA-5000 Cordoba, Argentina. RP Argonne Natl Lab, IIT, Biophys Collaborat Access Team, BioCAT, 9700 S Cass Ave, Argonne, IL 60439 USA. EM barrea@bio.aps.anl.gov RI Perez, Carlos/F-9949-2013 OI Perez, Carlos/0000-0003-4284-3148 NR 39 TC 18 Z9 20 U1 0 U2 2 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 2005 VL 38 IS 7 BP 839 EP 852 DI 10.1088/0953-4075/38/7/006 PG 14 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA 927NM UT WOS:000229200600008 ER PT J AU Grate, LR AF Grate, LR TI Many accurate small-discriminatory feature subsets exist in microarray transcript data: biomarker discovery SO BMC BIOINFORMATICS LA English DT Article ID GENE-EXPRESSION PROFILES; BREAST-CANCER; CLASSIFICATION; ADENOCARCINOMA; IDENTIFICATION; PATTERNS; LEUKEMIA; TUMORS; LUNG; SETS AB Background: Molecular profiling generates abundance measurements for thousands of gene transcripts in biological samples such as normal and tumor tissues ( data points). Given such two-class high-dimensional data, many methods have been proposed for classifying data points into one of the two classes. However, finding very small sets of features able to correctly classify the data is problematic as the fundamental mathematical proposition is hard. Existing methods can find "small" feature sets, but give no hint how close this is to the true minimum size. Without fundamental mathematical advances, finding true minimum-size sets will remain elusive, and more importantly for the microarray community there will be no methods for finding them. Results: We use the brute force approach of exhaustive search through all genes, gene pairs ( and for some data sets gene triples). Each unique gene combination is analyzed with a few-parameter linear-hyperplane classification method looking for those combinations that form training error-free classifiers. All 10 published data sets studied are found to contain predictive small feature sets. Four contain thousands of gene pairs and 6 have single genes that perfectly discriminate. Conclusion: This technique discovered small sets of genes ( 3 or less) in published data that form accurate classifiers, yet were not reported in the prior publications. This could be a common characteristic of microarray data, thus making looking for them worth the computational cost. Such small gene sets could indicate biomarkers and portend simple medical diagnostic tests. We recommend checking for small gene sets routinely. We find 4 gene pairs and many gene triples in the large hepatocellular carcinoma (HCC, Liver cancer) data set of Chen et al. The key component of these is the "placental gene of unknown function", PLAC8. Our HMM modeling indicates PLAC8 might have a domain like part of lP59's crystal structure (a Non-Covalent Endonuclease lii-Dna Complex). The previously identified HCC biomarker gene, glypican 3 (GPC3), is part of an accurate gene triple involving MT1E and ARHE. We also find small gene sets that distinguish leukemia subtypes in the large pediatric acute lymphoblastic leukemia cancer set of Yeoh et al. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA. RP Grate, LR (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA. EM lesliegrate@comcast.net NR 25 TC 21 Z9 21 U1 0 U2 1 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1471-2105 J9 BMC BIOINFORMATICS JI BMC Bioinformatics PD APR 13 PY 2005 VL 6 AR 97 DI 10.1186/1471-2105-6-97 PG 16 WC Biochemical Research Methods; Biotechnology & Applied Microbiology; Mathematical & Computational Biology SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Mathematical & Computational Biology GA 923SV UT WOS:000228930500001 PM 15826317 ER PT J AU Saunders, JA Lee, MK Uddin, A Mohammad, S Wilkin, RT Fayek, M Korte, NE AF Saunders, JA Lee, MK Uddin, A Mohammad, S Wilkin, RT Fayek, M Korte, NE TI Natural arsenic contamination of Holocene alluvial aquifers by linked tectonic, weathering, and microbial processes SO GEOCHEMISTRY GEOPHYSICS GEOSYSTEMS LA English DT Article DE arsenic; weathering; glaciers; groundwater; bacteria; Bangladesh; biogeosciences : metals; biogeosciences : microbe/mineral interactions; geochemistry : geochemical modeling geochemistry : geochemical cycles geochemistry : major and trace element geochemistry ID IN-GROUND WATER; UNITED-STATES; BENGAL BASIN; DRINKING-WATER; WEST-BENGAL; BANGLADESH; RELEASE; GEOCHEMISTRY; ENRICHMENT; MECHANISMS AB Linked tectonic, geochemical, and biologic processes lead to natural arsenic contamination of groundwater in Holocene alluvial aquifers, which are the main threat to human health around the world. These groundwaters are commonly found a long distance from their ultimate source of arsenic, where chemical weathering of As-bearing minerals occurs. We propose a "GBH-As'' model that ties together all of the important tectonic, biologic, and hydrologic processes that cause natural As release in groundwater in Holocene terrestrial deposits. Processes highlighted by the "GBH-As'' model can explain the movement of arsenic from lithosphere to hydrosphere. However, we propose a factor that has increased dissolved As concentrations in Holocene aquifers to levels where human health is threatened: mechanical weathering associated with Pleistocene glaciation. Our model invokes erosion of mountain belts aided by glaciers, transport of arsenic by surface waters, adsorption of As by stream sediments, and deposition of stream sediments and organic matter in alluvial deposits. Subsequently, Fe(III)-reducing bacteria present in alluvial aquifers cause the release of sorbed As to groundwater under moderately reducing conditions. C1 Auburn Univ, Dept Geol & Geog, Auburn, AL 36849 USA. US EPA, Natl Risk Management Res Lab, Off Res & Dev, Ada, OK 74820 USA. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Saunders, JA (reprint author), Auburn Univ, Dept Geol & Geog, 210 Petrie Hall, Auburn, AL 36849 USA. EM saundja@auburn.edu NR 31 TC 31 Z9 32 U1 3 U2 17 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 1525-2027 J9 GEOCHEM GEOPHY GEOSY JI Geochem. Geophys. Geosyst. PD APR 13 PY 2005 VL 6 AR Q04006 DI 10.1029/2004GC000803 PG 7 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 917QN UT WOS:000228479600001 ER PT J AU Volkow, ND Wang, GJ Ma, YM Fowler, JS Wong, C Ding, YS Hitzemann, R Swanson, JM Kalivas, P AF Volkow, ND Wang, GJ Ma, YM Fowler, JS Wong, C Ding, YS Hitzemann, R Swanson, JM Kalivas, P TI Activation of orbital and medial prefrontal cortex by methylphenidate in cocaine-addicted subjects but not in controls: Relevance to addiction SO JOURNAL OF NEUROSCIENCE LA English DT Article DE thalamus; dopamine; motivation; orbitofrontal; cingulate gyrus; imaging ID BRAIN GLUCOSE-METABOLISM; TRANSPORTER-IMMUNOREACTIVE AXONS; OBSESSIVE-COMPULSIVE DISORDER; ORBITOFRONTAL CORTEX; DOPAMINE TRANSPORTER; MOLECULAR-MECHANISMS; MEDIODORSAL THALAMUS; C-11 RACLOPRIDE; MACAQUE MONKEY; BLOOD-FLOW AB Drugs of abuse are rewarding to addicted and nonaddicted subjects, but they trigger craving and compulsive intake only in addicted subjects. Here, we used positron emission tomography (PET) and [F-18] deoxyglucose to compare the brain metabolic responses ( marker of brain function) of cocaine-addicted subjects (n = 21) and controls (n = 15) to identify brain regions that are uniquely activated in addicted subjects by intravenous methylphenidate ( a drug that cocaine-addicted subjects report to be similar to cocaine). In parallel, we also measured the changes in dopamine (DA) induced by intravenous methylphenidate (using PET and [C-11] raclopride) in the striatum and in the thalamus. Metabolic responses between groups differed significantly only in the right medial orbital prefrontal cortex [Brodmann's area (BA) 25 and medial BA 11], where methylphenidate increased metabolism in addicted subjects but decreased metabolism in controls. These changes were associated in all subjects with increased "desire for methylphenidate" and in the addicted subjects with "cocaine craving." In addicted subjects, increases in BA 25 were also associated with mood elevation. Methylphenidate-induced increases in metabolism in the medial orbital prefrontal cortex were associated with its increase of DA in the thalamus but not in the striatum. These findings provide evidence that enhanced sensitivity of BA 25 (region involved with emotional reactivity) and BA 11 (region involved with salience attribution and motivation) in cocaine-addicted subjects may underlie the strong emotional response to the drug and the intense desire to procure it that results in craving and compulsive drug intake. It also suggests that the mesothalamic DA pathway may contribute to these processes. C1 NIDA, Rockville, MD 20857 USA. NIAAA, Rockville, MD 20852 USA. Brookhaven Natl Lab, Dept Med, Upton, NY 11973 USA. Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. Oregon Hlth Sci Univ, Dept Behav Sci, Portland, OR 97201 USA. Univ Calif Irvine, Child Dev Ctr, Irvine, CA 92612 USA. Med Univ S Carolina, Dept Neurosci, Charleston, SC 29465 USA. RP Volkow, ND (reprint author), NIDA, 6001 Execut Blvd,Room 5274, Rockville, MD 20857 USA. EM nvolkow@nida.nih.gov FU NIDA NIH HHS [R01DA06891] NR 72 TC 174 Z9 179 U1 5 U2 8 PU SOC NEUROSCIENCE PI WASHINGTON PA 11 DUPONT CIRCLE, NW, STE 500, WASHINGTON, DC 20036 USA SN 0270-6474 J9 J NEUROSCI JI J. Neurosci. PD APR 13 PY 2005 VL 25 IS 15 BP 3932 EP 3939 DI 10.1523/JNEUROSCI.0433-05.2005 PG 8 WC Neurosciences SC Neurosciences & Neurology GA 916BA UT WOS:000228356200020 PM 15829645 ER PT J AU Wang, R Zhang, XH Chen, SJ Yu, XH Wang, CS Beach, DB Wu, YD Xue, ZL AF Wang, R Zhang, XH Chen, SJ Yu, XH Wang, CS Beach, DB Wu, YD Xue, ZL TI Reactions of d(0) group 4 amides with dioxygen. Preparation of unusual oxo aminoxy complexes and theoretical studies of their formation SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID CHEMICAL-VAPOR-DEPOSITION; RAY CRYSTAL-STRUCTURES; OXYGEN ATOM TRANSFER; ZIRCONIUM COMPLEXES; METHANE MONOOXYGENASE; 2-STATE REACTIVITY; TITANIUM ALKOXIDES; ACTIVATION; DERIVATIVES; BINDING AB Reactions of d(0) amides M(NMe2)(4) (M = Zr, 1; Hf, 2) with O-2 have been found to yield unusual trinuclear oxo aminoxide complexes M-3(NMe2)(6)(mu-NMe2)(3)(mu(3)-O)(mu(3)-ONMe2) (M = Zr, 3; Hf, 4) in high yields. Tetramethylhydrazine Me2N-NMe2 was also observed in the reaction mixtures. Crystal structures of 3 and 4 have been determined. Density functional theory calculations have been performed to explore the mechanistic pathways in the reactions of model complexes Zr(NR2)(4) (R = H, 5; Me, 1) and [Zr(NR2)(4)](2) (R H, 5a; Me, 1a) with triplet O-2. Monomeric and dimeric reaction pathways in the formation of the Zr complex 3 are proposed. C1 Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. Hong Kong Univ Sci & Technol, Dept Chem, Kowloon, Hong Kong, Peoples R China. Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Wu, YD (reprint author), Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. EM chydwu@ust.hk; xue@utk.edu RI Zhang, Xinhao/G-4490-2010; Wu, Yun-Dong/G-8463-2013 OI Zhang, Xinhao/0000-0002-8210-2531; NR 78 TC 30 Z9 31 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 13 PY 2005 VL 127 IS 14 BP 5204 EP 5211 DI 10.1021/ja042307u PG 8 WC Chemistry, Multidisciplinary SC Chemistry GA 914LQ UT WOS:000228229600047 PM 15810856 ER PT J AU Korsah, K Kisner, R Boatner, L Christen, H Paris, D AF Korsah, K Kisner, R Boatner, L Christen, H Paris, D TI Preliminary investigation of KTN as a surface acoustic wave infrared/thermal detector SO SENSORS AND ACTUATORS A-PHYSICAL LA English DT Article DE infrared detector; thermal detector; lithium niobate SAW sensor; KTN SAW sensor AB This paper presents the results of preliminary investigations of thin films of KTN (KTa1-xNbxO3) surface acoustic wave (SAW) structures for their suitability as thermal detectors. The goal is to use the technique for infrared (IR) detection and imaging. The thin films (0.6 mu m) of K(Ta1-xNbx)O-3 [x = 0.5] epitaxial films were grown and polished on KTaO3 (001) substrates approximately I mm thick. SAW resonators with a center frequency of approximately 480 MHz were fabricated using these substrates. To form the basis of comparison to commonly used, thermally sensitive SAW substrates, SAW devices using lithium niobate (LiNbO3) as the substrate material were also fabricated. The phase response as a function of temperature for the KTN as well as the LiNbO3 SAW devices was measured with a network analyzer. The largest phase change exhibited by the LiNbO3 was about -4.7 degrees/degrees C, whereas the largest phase change exhibited by the KTN was about twice as much (11 degrees/degrees C). Assuming a worst case network analyzer phase resolution of 0.5 degrees, this corresponds to a temperature resolution of 0.1 degrees C for the LiNbO3 and 0.05 degrees C for the KTN. By comparison, typical sensitivity of (uncooled) microbolometers is of the order of 50mK. We believe that with improved fabrication and signal processing, the KTN/SAW-based detection approach can achieve a temperature resolution of better than 50 mK. (c) 2004 Published by Elsevier B.V. C1 Oak Ridge Natl Lab, Engn Sci & Technol Div, Oak Ridge, TN 37831 USA. Oak Ridge Natl Lab, Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. Clark Atlanta Univ, Atlanta, GA 30314 USA. RP Korsah, K (reprint author), Oak Ridge Natl Lab, Engn Sci & Technol Div, Bldg 3500,MS6010,POB 2008, Oak Ridge, TN 37831 USA. EM korsahk@ornl.gov RI Christen, Hans/H-6551-2013; Boatner, Lynn/I-6428-2013 OI Christen, Hans/0000-0001-8187-7469; Boatner, Lynn/0000-0002-0235-7594 NR 6 TC 1 Z9 1 U1 1 U2 5 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 13 PY 2005 VL 119 IS 2 BP 358 EP 364 DI 10.1016/j.sna.2004.09.024 PG 7 WC Engineering, Electrical & Electronic; Instruments & Instrumentation SC Engineering; Instruments & Instrumentation GA 921ND UT WOS:000228770400012 ER PT J AU Bourdarie, S Friedel, RHW Fennell, J Kanekal, S Cayton, TE AF Bourdarie, S Friedel, RHW Fennell, J Kanekal, S Cayton, TE TI Radiation belt representation of the energetic electron environment: Model and data synthesis using the Salammbo radiation belt transport code and Los Alamos geosynchronous and GPS energetic particle data SO SPACE WEATHER-THE INTERNATIONAL JOURNAL OF RESEARCH AND APPLICATIONS LA English DT Article ID INNER MAGNETOSPHERE; SOLAR-WIND; ACCELERATION; CRRES AB [1] The highly energetic electron environment in the inner magnetosphere ( geosynchronous Earth orbit (GEO) inward) has received a lot of research attention in resent years, as the dynamics of relativistic electron acceleration and transport are not yet fully understood. These electrons can cause deep dielectric charging in any space hardware in the medium Earth orbit (MEO) to GEO region. We use a new and novel approach to obtain a global representation of the inner magnetospheric energetic electron environment, which can reproduce the absolute environment ( flux) for any spacecraft orbit in that region to within a factor of 2 for the energy range of 100 KeV to 5 MeV electrons for any level of magnetospheric activity. We combine the extensive set of inner magnetospheric energetic electron observations available at Los Alamos with the physics-based Salammbo transport code using the data assimilation technique of "direct-insertion.'' This, in effect, inputs in situ data into the code and allows the diffusion mechanisms in the code to interpolate the data into regions and times of no data availability. Here we present details of the methods used both in the data assimilation process and in the necessary intercalibration of the input data used. We present sample runs of the model/data code and compare the results to test spacecraft data not used in the data assimilation process. C1 Off Natl Etud & Rech Aerosp, CERT, DESP, F-31055 Toulouse, France. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Aerosp Corp, El Segundo, CA 90245 USA. Univ Maryland, Dept Phys, College Pk, MD 20742 USA. RP Bourdarie, S (reprint author), Off Natl Etud & Rech Aerosp, CERT, DESP, BP 4025,2 Ave Edouard Belin, F-31055 Toulouse, France. EM sebastien.bourdarie@onecert.fr; rfriedel@lanl.gov; joseph.f.fennell@aero.org; tcayton@lanl.gov RI Friedel, Reiner/D-1410-2012 OI Friedel, Reiner/0000-0002-5228-0281 NR 19 TC 17 Z9 17 U1 0 U2 3 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 1542-7390 J9 SPACE WEATHER JI Space Weather PD APR 13 PY 2005 VL 3 IS 4 AR S04S01 DI 10.1029/2004SW000065 PG 10 WC Astronomy & Astrophysics; Geochemistry & Geophysics; Meteorology & Atmospheric Sciences SC Astronomy & Astrophysics; Geochemistry & Geophysics; Meteorology & Atmospheric Sciences GA 927RR UT WOS:000229218700001 ER PT J AU Yamaguchi, H Minopoli, G Demidov, ON Chatterjee, DK Anderson, CW Durell, SR Appella, E AF Yamaguchi, H Minopoli, G Demidov, ON Chatterjee, DK Anderson, CW Durell, SR Appella, E TI Substrate specificity of the human protein phosphatase 2C delta Wip1 SO BIOCHEMISTRY LA English DT Article ID MAP KINASE; CELLULAR-REGULATION; KINETIC-ANALYSIS; OKADAIC ACID; UV-RADIATION; 2C; STRESS; PPM1D; P38; PATHWAY AB Wip1, the wild-type p53-induced phosphatase, selectively dephosphorylates a threonine residue on p38 MAPK and mediates a negative feedback loop of the p38 MAPK-p53 signaling pathway. To identify the substrate specificity of Wip1, we prepared a recombinant human Wip1 catalytic domain (rWip1) and measured kinetic parameters for phosphopeptides containing the dephosphorylation sites in p38 alpha and in a new substrate, UNG2. rWip1 showed properties that were comparable to those of PP2C alpha or full-length Wip1 in terms of affinity for Mg2+, insensitivity to okadaic acid, and threonine dephosphorylation. The substrate specificity constant k(cat)/K-m for a diphosphorylated peptide with a pTXpY sequence was 6-8-fold higher than that of a monophosphorylated peptide with a pTXY sequence, while PP2C alpha showed a preference for monophosphorylated peptides. Although individual side chains before and after the pTXpY sequence of the substrate did not have a significant effect on rWip1 activity, a chain length of at least five residues, including the pTXpY sequence, was important for substrate recognition by rWip1. Moreover, the X residue in the pTXpY sequence affected affinity for rWip1 and correlated with selectivity for MAPKs. These findings suggest that substrate recognition by Wip1 is centered toward a very narrow region around the pTXpY sequence. Three-dimension homology models of Wip1 with bound substrate peptides were constructed, and site-directed mutagenesis was performed to confirm the importance of specific residues for substrate recognition. The results of our study should be useful for predicting new physiological substrates and for designing specific Wip1 inhibitors. C1 NCI, Cell Biol Lab, NIH, Bethesda, MD 20892 USA. NCI, Lab Expt & Computat Biol, NIH, Bethesda, MD 20892 USA. Natl Canc Inst, SAIC Frederick Inc, Prot Express Lab, Ft Detrick, MD 21702 USA. Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. RP Appella, E (reprint author), NCI, Cell Biol Lab, NIH, Bldg 37, Bethesda, MD 20892 USA. EM appellae@pop.nci.nih.gov FU NCI NIH HHS [N01-CO-12400] NR 43 TC 46 Z9 48 U1 1 U2 7 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 12 PY 2005 VL 44 IS 14 BP 5285 EP 5294 DI 10.1021/bi0476634 PG 10 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 914UC UT WOS:000228252300002 PM 15807522 ER PT J AU McElhanon, JR Zifer, T Kline, SR Wheeler, DR Loy, DA Jamison, GM Long, TM Rahimian, K Simmons, BA AF McElhanon, JR Zifer, T Kline, SR Wheeler, DR Loy, DA Jamison, GM Long, TM Rahimian, K Simmons, BA TI Thermally cleavable surfactants based on furan-maleimide Diels-Alder adducts SO LANGMUIR LA English DT Article ID AMPHIPHILES; DERIVATIVES; 1,3-DIENE; POLYMERS; TENSION; ESTERS; RING AB Two new surfactant molecules are reported that contain thermally labile Diels-Alder adducts connecting the hydrophilic and hydrophobic sections of each molecule. The two surfactants possess identical hydrophobic dodecyl tail segments but have phenol and carboxylic acid hydrophilic headgroups, respectively. Deprotonation with potassium hydroxide affords the formation of water-soluble surfactants. Room temperature aqueous solutions of both surfactants exhibit classical surface-active agent behavior similar to common analagous alkylaryl surfactant molecules. Critical micelle concentrations have been determined for each surfactant through dynamic surface tension and dye solubilization techniques. Small-angle neutron scattering measurements of the aqueous surfactant solutions indicate the presence of spherical micelles with radii of 16.5 angstrom for the carboxylate and 18.8 angstrom for the phenolate. When these surfactants are exposed to elevated temperatures (> 50 degrees C), the retro Diels-Alder reaction occurs, yielding hydrophilic and hydrophobic fragments. Aqueous solutions of each surfactant subsequently exhibit a loss of all surface-active behavior and the micellar aggregates are no longer detectable. C1 Sandia Natl Labs, Dept Chem Mat, Livermore, CA 94551 USA. Natl Inst Stand & Technol, NIST Ctr Neutron Res, Gaithersburg, MD 20899 USA. Sandia Natl Labs, Micrototal Analyt Syst Dept, Albuquerque, NM 87185 USA. Los Alamos Natl Lab, Polymers & Coatings Grp, Los Alamos, NM 87545 USA. Sandia Natl Labs, Chem Synth & Nanomat Dept, Albuquerque, NM 87185 USA. RP Simmons, BA (reprint author), Sandia Natl Labs, Dept Chem Mat, Livermore, CA 94551 USA. EM basimmo@sandia.gov RI Loy, Douglas/D-4847-2009; OI Loy, Douglas/0000-0001-7635-9958; Simmons, Blake/0000-0002-1332-1810 NR 41 TC 41 Z9 42 U1 0 U2 27 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD APR 12 PY 2005 VL 21 IS 8 BP 3259 EP 3266 DI 10.1021/la047074z PG 8 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 914HP UT WOS:000228218700012 PM 15807562 ER PT J AU Arleth, L Ashok, B Onyuksel, H Thiyagarajan, P Jacob, J Hjelm, RP AF Arleth, L Ashok, B Onyuksel, H Thiyagarajan, P Jacob, J Hjelm, RP TI Detailed structure of hairy mixed micelles formed by phosphatidylcholine and PEGylated phospholipids in aqueous media SO LANGMUIR LA English DT Article ID BLOCK-COPOLYMER MICELLES; SMALL-ANGLE SCATTERING; EXCLUDED-VOLUME INTERACTIONS; NEUTRON-SCATTERING; SURFACTANT; CHAIN; NANOPARTICLES; PERFORMANCE; STABILITY; COLLOIDS AB Aqueous dispersions of mixed egg yolk phosphatidylcholine (PC) and poly(ethylene glycol) (PEG) modified distearoyl phosphatidylethanolamine (DSPE) were investigated with the purpose of determining shape, size, and conformation of the formed mixed micelles. The samples were prepared at a range of DSPEPEG to PC molar ratios ([DSPEPEG/PC] from 100:0 to 30:70) and with, respectively, DSPEPEG2000 and DSPEPEG5000, where 2000 and 5000 refer to the molar masses of the PEG chains. Particle shape and internal structure were studied using small-angle X-ray scattering (SAXS) and small-angle neutron scattering (SANS). The contrast of the micelles is different for X-rays and neutrons, and by combining SANS and SAXS, complementary information about the micelle structure was obtained. The detailed structure of the micelles was determined in a self-consistent way by fitting a model for the micelles to SANS and SAXS data simultaneously. In general, a model for the micelles with a hydrophobic core, surrounded by a dense hydrophilic layer that is again surrounded by a corona of PEG chains in the form of Gaussian random coils attached to the outer surface, is in good agreement with the scattering data. At high DSPEPEG contents, nearly spherical micelles are formed. As the PC content increases the micelles elongate, and at a DSPEPEG/PC ratio of 30:70, rodlike micelles longer than 1000 A are formed. We demonstrate that by mixing DSPEPEG and PC a considerable latitude in controlling the particle shape is obtained. Our results indicate that the PEG chains in the corona are in a relatively unperturbed Gaussian random coil conformation even though the chains are far above the coil-coil overlap concentration and, therefore, interpenetrating. This observation in combination with the observed growth behavior questions that the "mushroom-brush" transition is the single dominating factor for determining the particle shape as assumed in previous theoretical work (Hristova, K.; Needham, D. Macromolecules 1995, 28, 991-1002). C1 Los Alamos Natl Lab, Manuel Lujan Jr Neutron Scattering Ctr, Los Alamos, NM 87545 USA. Univ Illinois, Coll Pharm, Dept Biopharmaceut Sci, Chicago, IL 60612 USA. Argonne Natl Lab, Argonne, IL 60439 USA. RP Arleth, L (reprint author), Royal Vet & Agr Univ, Dept Nat Sci, Bulowsvej 17, DK-1870 Frederiksberg, Denmark. EM lia@kvl.dk; hjelm@lan1.gov RI Lujan Center, LANL/G-4896-2012; Arleth, Lise/M-4705-2014 OI Arleth, Lise/0000-0002-4694-4299 NR 45 TC 44 Z9 44 U1 2 U2 15 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD APR 12 PY 2005 VL 21 IS 8 BP 3279 EP 3290 DI 10.1021/la047588y PG 12 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 914HP UT WOS:000228218700015 PM 15807565 ER PT J AU Henderson, MA AF Henderson, MA TI Acetone and water on TiO2(110): Competition for sites SO LANGMUIR LA English DT Article ID PHOTOCATALYTIC OXIDATION; MOLECULAR-OXYGEN; GAS-PHASE; SURFACE-CHEMISTRY; TITANIUM-DIOXIDE; GASEOUS ACETONE; CRYSTALLINE ICE; THIN-FILMS; TIO2; ADSORPTION AB The competitive interaction between acetone and water for surface sites on TiO2(110) was examined using temperature programmed desorption (TPD). Two surface pretreatment methods were employed, one involving vacuum reduction of the surface by annealing at 850 K in ultrahigh vacuum (UHV) and another involving surface oxidation with molecular oxygen. In the former case, the surface possessed about 7% oxygen vacancy sites, and in the latter, reactive oxygen species (adatoms and molecules) were deposited on the surface as a result of oxidative filling of vacancy sites. On the 7% oxygen vacancy surface, excess water displaced all but about 20% of a saturated d(6)-acetone first layer to physisorbed desorption states, whereas about 40% of the first layer d(6)-acetone was stabilized on the oxidized surface against displacement by water through a reaction between oxygen and d(6)-acetone. The displacement of acetone on both surfaces is explained in terms of the relative desorption energies of each molecule on the clean surface and the role of intermolecular repulsions in shifting the respective desorption features to lower temperatures with increasing coverage. Although first layer water desorbs from TiO2(110) at slightly lower temperature (275 K) than submonolayer coverages of d(6)-acetone (340 K), intermolecular repulsions between d(6)-acetone molecules shift its leading edge for desorption to 170 K as the first layer is saturated. In contrast, the desorption leading edge for first layer water (with or without coadsorbed d(6)-acetone) shifted to no lower than 210 K as a function of increasing coverage. This small difference in the onsets for d(6)-acetone and water desorption resulted in the majority of d(6)-acetone being compressed into islands by water and displaced from the first layer at a lower temperature than that observed in the absence of coadsorbed water. On the oxidized surface, the species resulting from reaction of d(6)-acetone and oxygen was not influence by increasing water coverages. This species was stable up to 375 K (well past the first layer water TPD feature) where it decomposed mostly back to d(6)-acetone and atomic oxygen. These results are discussed in terms of the influence of water in inhibiting acetone photo-oxidation on TiO2 surfaces. C1 Pacific Nw Natl Lab, Interfacial Chem & Engn Grp, Richland, WA 99352 USA. RP Henderson, MA (reprint author), Pacific Nw Natl Lab, Interfacial Chem & Engn Grp, POB 999,MS K8-93, Richland, WA 99352 USA. EM ma.henderson@pnl.gov NR 48 TC 34 Z9 34 U1 3 U2 24 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD APR 12 PY 2005 VL 21 IS 8 BP 3443 EP 3450 DI 10.1021/la0476579 PG 8 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 914HP UT WOS:000228218700036 PM 15807586 ER PT J AU Henderson, MA AF Henderson, MA TI Acetone and water on TiO2(110): H/D exchange SO LANGMUIR LA English DT Article ID PHOTOCATALYTIC OXIDATION; GAS-PHASE; TITANIUM-DIOXIDE; GASEOUS ACETONE; TIO2 SURFACES; ADSORPTION; OXIDE; KETONES; OLIGOMERIZATION; ISOMERIZATION AB Isotopic H/D exchange between coadsorbed acetone and water on the TiO2(10) surface was examined using temperature programmed desorption (TPD) as a function of coverage and two surface pretreatments (O-2 oxidation and mild vacuum reduction). Coadsorbed acetone and water interact repulsively on reduced TiO2(110) on the basis of results from the companion paper to this study, with water exerting a greater influence in destabilizing acetone and acetone having only a nominal influence on water. Despite the repulsive interaction between these coadsorbates, about 0.02 monolayers (ML) of a 1 ML d(6)-acetone on the reduced surface (vacuum annealed at 850 K to a surface oxygen vacancy population of 7%) exhibits H/D exchange with coadsorbed water, with the exchange occurring exclusively in the high-temperature region of the d6-acetone TPD spectrum at similar to 340 K. The effect was confirmed with combinations of d(0)-acetone and D2O. The extent of exchange decreased on the reduced surface for water coverages above similar to 0.3 ML due to the ability of water to displace coadsorbed acetone from first layer sites to the multilayer. In contrast, the extent of exchange increased by a factor of 3 when surface oxygen vacancies were pre-oxidized with O-2 prior to coadsorption. In this case, there was no evidence for the negative influence of high water coverages on the extent of H/D exchange. Comparison of the TPD spectra from the exchange products (either d(1)- or d(5)-acetone depending on the coadsorption pairing) suggests that, in addition to the 340 K exchange process seen on the reduced surface, a second exchange process was observed on the oxidized surface at similar to 390 K. In both cases (oxidized and reduced), desorption of the H/D exchange products appeared to be reaction limited and to involve the influence of OH/OD groups (or water formed during recombinative desorption of OH/OD groups) instead of molecularly adsorbed water. The 340 K exchange process is assigned to reaction at step sites, and the 390 K exchange process is attributed to the influence of oxygen adatoms deposited during surface oxidation. The H/D exchange mechanism likely involves an enolate or propenol surface intermediate formed transiently during the desorption of oxygen-stabilized acetone molecules. C1 Pacific NW Natl Lab, Interfacial Chem & Engn Grp, Richland, WA 99352 USA. RP Henderson, MA (reprint author), Pacific NW Natl Lab, Interfacial Chem & Engn Grp, POB 999,MS K8-93, Richland, WA 99352 USA. EM ma.henderson@pnl.gov NR 44 TC 15 Z9 15 U1 2 U2 22 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD APR 12 PY 2005 VL 21 IS 8 BP 3451 EP 3458 DI 10.1021/la0476581 PG 8 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 914HP UT WOS:000228218700037 PM 15807587 ER PT J AU Kraineva, J Narayanan, RA Kondrashkina, E Thiyagarajan, P Winter, R AF Kraineva, J Narayanan, RA Kondrashkina, E Thiyagarajan, P Winter, R TI Kinetics of lamellar-to-cubic and intercubic phase transitions of pure and cytochrome c containing monoolein dispersions monitored by time-resolved small-angle X-ray diffraction SO LANGMUIR LA English DT Article ID LYOTROPIC LIPID MESOPHASES; DRUG-DELIVERY SYSTEMS; WATER MESOPHASES; MEMBRANE-FUSION; AMPHIPHILIC SYSTEMS; NEUTRON-SCATTERING; PRESSURE; HYDRATION; TEMPERATURE; SURFACTANT AB We investigated the effect of incorporation of a small aqueous peripheral membrane protein (cyt c) into the three-dimensional periodic nanochannel structures formed by the lipid monoolein (MO) on its rich phase behavior as a function of temperature, pressure, and protein concentration using synchrotron X-ray small-angle diffraction. By simultaneous use of the pressure-jump relaxation technique and time-resolved synchrotron X-ray diffraction, we also studied the kinetics of various lipid mesophase transformations of the system for understanding the mechanistic pathways of their formation influenced by the protein-lipid interactions. Cyt c incorporated into the bicontinuous cubic phase Ia3d of MO has a significant effect on the lipid structure and the pressure stability of the system already at low protein concentrations. Concentrations higher than 0.2 wt % of cyt c led to an increase in interfacial curvature due to interaction of the protein with the lipid headgroups. This promotes the formation of a new, probably partially micellar cubic phase of crystallographic space group P4(3)32. Upon pressurization, the P4(3)32 phase undergoes a phase transition to a cubicPn3m phase with smaller partial specific volume. Increase in protein concentration increases the pressure stability of the P4(3)32 phase. The formation of this phase from the cubic phase Pn3m is a slow process taking many seconds and having a time lag in the beginning. It seems to occur as a two-state process without ordered intermediate states. At temperatures above 60 degrees C, the P4(3)32 phase is unable to accommodate the unfolded protein and transforms to a bicontinuous cubic Ia3d phase. Time-resolved small-angle X-ray scattering studies show that the L-alpha -> Ia3d transition in pure MO dispersions under limited hydration conditions occurs within a time interval of 1 s at 35 degrees C preceded by a lag phase of 1.5 s. The Ia3d cubic phase initially forms with a much larger lattice constant due to hydration and experiences an initially lower curvature that relaxes within about 1 s. Interestingly, no other cubic phases are involved as intermediates in the transition, i.e., the gyroid cubic phase is able to form directly from the L-alpha phase. The mechanism behind the L-alpha -> Ia3d transition in pure MO dispersions has been discussed within the framework of recent stalk models for membrane fusion. In the presence of cyt c, the L-alpha -> Ia3d transition is much slower. The rather long relaxation times of the order of seconds are probably due to a kinetic trapping of the system and limitation by the transport and redistribution of water and lipid in the evolving new lipid phases. We also studied the transition from the pure lamellar L-alpha phase to the la3d-P4(3)32 two phase region and observed a rather complex transition behavior with transient lamellar and cubic intermediate states. C1 Univ Dortmund, Dept Chem, D-44221 Dortmund, Germany. Argonne Natl Lab, IPNS, Argonne, IL 60439 USA. IIT, BIOCAT, Adv Photon Source, Argonne, IL 60439 USA. RP Winter, R (reprint author), Univ Dortmund, Dept Chem, Otto Hahn Str 6, D-44221 Dortmund, Germany. RI ID, BioCAT/D-2459-2012; OI Winter, Roland/0000-0002-3512-6928 NR 53 TC 48 Z9 48 U1 0 U2 11 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD APR 12 PY 2005 VL 21 IS 8 BP 3559 EP 3571 DI 10.1021/la046873e PG 13 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 914HP UT WOS:000228218700052 PM 15807602 ER PT J AU Tupy, JL Bailey, AM Dailey, G Evans-Holm, M Siebel, CW Misra, S Celniker, SE Rubin, GM AF Tupy, JL Bailey, AM Dailey, G Evans-Holm, M Siebel, CW Misra, S Celniker, SE Rubin, GM TI Identification of putative noncoding polyadenylated transcripts in Drosophila melanogaster SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE genome; noncoding RNA; noncoding RNA; Drosophila pseudoobscura; Drosophila virilis ID GENOME; RNA; SEQUENCE; GENE; DATABASE AB Analysis of EST and cDNA collections from a number of metazoan species has identified genes encoding long polyadenylated transcripts that do not contain ORFs of lengths typical for protein-encoding mRNAs. Noncoding functions of such polyadenylated transcripts have been elucidated in only a few examples. The corresponding genes neither contain hallmark sequence motifs nor appear to have been conserved across phyla. Thus, it is impossible to systematically identify new members of this class of gene by using sequence homology and traditional gene-finding algorithms that depend on protein-coding potential. Consequently, even their approximate number has not been established for any metazoan genome. We curated polyadenylated transcripts with limited protein-coding capacity from intergenic regions of the Drosophila melanogaster genome. We used RT-PCR assays, hybridization to RNA blots and whole-mount embryos, and computational analyses to characterize candidate transcripts. We verify the structures and expression of 17 distinct, likely non-protein-coding polyadenylated transcripts. We show that the expression of many of these transcripts is conserved in other Drosophila species, indicating that they have important biological functions. C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley Drosophila Genome Project, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Dept Genome Sci, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. Univ Calif Berkeley, Howard Hughes Med Inst, Berkeley, CA 94720 USA. RP Bailey, AM (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley Drosophila Genome Project, 1 Cyclotron Rd,Mailstop 64-121, Berkeley, CA 94720 USA. EM adina@fruitfly.org; rubing@hhmi.org OI Rubin, Gerald/0000-0001-8762-8703 FU NHGRI NIH HHS [HG 002673, HG 007500, R01 HG002673] NR 32 TC 81 Z9 88 U1 0 U2 3 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 12 PY 2005 VL 102 IS 15 BP 5495 EP 5500 DI 10.1073/pnas.0501422102 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 916HS UT WOS:000228376600038 PM 15809421 ER PT J AU Webb, SM Dick, GJ Bargar, JR Tebo, BM AF Webb, SM Dick, GJ Bargar, JR Tebo, BM TI Evidence for the presence of Mn(III) intermediates in the bacterial oxidation of Mn(II) SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE kinetics; multicopper oxidase; spores; x-ray absorption near-edge spectroscopy ID SP STRAIN SG-1; MANGANESE OXIDATION; MARINE BACILLUS; LEPTOTHRIX-DISCOPHORA; SPORES; IDENTIFICATION; MECHANISMS; MN2+; PYROPHOSPHATE; DISSOLUTION AB Bacterial oxidation of Mn(II) to Mn(IV) is believed to drive the oxidative segment of the global biogeochemical Mn cycle and regulates the concentration of dissolved Mn(II) in the oceanic water column, where it is a critical nutrient for planktonic primary productivity. Mn(II) oxidizing activity is expressed by numerous phylogenetically diverse bacteria and fungi, suggesting that it plays a fundamental and ubiquitous role in the environment. This important redox system is believed to be driven by an enzyme or enzyme complex involving a multicopper oxidase, although the biochemical mechanism has never been conclusively demonstrated. Here, we show that Mn(II) oxidation by spores of the marine Bacillus sp. strain SG-1 is a result of two sequential one-step electron transfer processes, both requiring the putative multicopper oxidase, MnxG, in which Mn(III) is a transient intermediate. A kinetic model of the oxidation pathway is presented, which shows that the Mn(II) to Mn(III) step is the rate-limiting step. Thus, oxidation of Mn(II) appears to involve a unique multicopper oxidase system capable of the overall two-electron oxidation of its substrate. This enzyme system may serve as a source for environmental Mn(Ill), a strong oxidant and competitor for siderophore-bound Fe(III) in nutrient-limited environments. That metabolically dormant spores catalyze an important biogeochemical process intimately linked to the C, N, Fe, and S cycles requires us to rethink the role of spores in the environment. C1 Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. Univ Calif San Diego, Scripps Inst Oceanog, La Jolla, CA 92093 USA. RP Tebo, BM (reprint author), Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. EM btebo@ucsd.edu RI Webb, Samuel/D-4778-2009; Dick, Gregory/D-8901-2012; Tebo, Bradley/A-8432-2017 OI Webb, Samuel/0000-0003-1188-0464; Dick, Gregory/0000-0001-7666-6288; Tebo, Bradley/0000-0002-6301-4325 NR 43 TC 119 Z9 133 U1 7 U2 58 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 12 PY 2005 VL 102 IS 15 BP 5558 EP 5563 DI 10.1073/pnas.0409119102 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 916HS UT WOS:000228376600049 PM 15800042 ER PT J AU Lin, L Thongngamdee, S Wang, J Lin, YH Sadik, OA Ly, SY AF Lin, L Thongngamdee, S Wang, J Lin, YH Sadik, OA Ly, SY TI Adsorptive stripping voltammetric measurements of trace uranium at the bismuth film electrode SO ANALYTICA CHIMICA ACTA LA English DT Article DE bismuth film electrode; uranium; cupferron; adsorptive-cathodic stripping voltammetry ID COMPLEXES; CHROMATOGRAPHY; SPECTROSCOPY; ABSORPTION; WATER AB Bismuth-coated carbon-fiber electrodes have been successfully applied for adsorptive stripping voltammetric measurements of trace uranium in the presence of cupferron. The new protocol is based on the accumulation of the uranium-cupferron complex at a preplated bismuth film electrode held at -0.30V (versus Ag/AgCl), followed by a negatively-sweeping square-wave voltammetric waveform. Factors influencing the stripping performance, including the film preparation, solution pH, cupferron concentration, adsorption potential and time have been optimized. The resulting performance compares well with that observed for analogous measurements at mercury film electrodes. A detection limit of 0.3 mu g/L is obtained in connection to a 10 min adsorption time. The response is linear up to 50 mu g/L and the relative standard deviation at 50 mu g/L uranium is 3.8% (n = 15; 2 min adsorption). Potential interferences are examined. Applicability to seawater samples is demonstrated. The attractive behavior of the new 'mercury-free' uranium sensor holds great promise for on-site environmental and industrial monitoring of uranium. (c) 2004 Elsevier B.V. All rights reserved. C1 Arizona State Univ, Dept Chem & Mat Engn, Tempe, AZ 85287 USA. Arizona State Univ, Dept Chem & Biochem, Tempe, AZ 85287 USA. Pacific NW Natl Lab, Richland, WA 99352 USA. SUNY Binghamton, Dept Chem, Binghamton, NY 13902 USA. Seoul Natl Univ Technol, Sch Appl Chem Engn, Dept Fine Chem, Seoul 139743, South Korea. RP Wang, J (reprint author), Arizona State Univ, Dept Chem & Mat Engn, Tempe, AZ 85287 USA. EM joseph.wang@asu.edu RI Lin, Yuehe/D-9762-2011; Wang, Joseph/C-6175-2011 OI Lin, Yuehe/0000-0003-3791-7587; NR 23 TC 72 Z9 73 U1 1 U2 14 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 11 PY 2005 VL 535 IS 1-2 BP 9 EP 13 DI 10.1016/j.aca.2004.12.003 PG 5 WC Chemistry, Analytical SC Chemistry GA 913ZM UT WOS:000228194200002 ER PT J AU Cruz, D Chang, JP Blain, MG AF Cruz, D Chang, JP Blain, MG TI Field emission characteristics of a tungsten microelectromechanical system device SO APPLIED PHYSICS LETTERS LA English DT Article ID OPERATION AB We have investigated the field emission properties of free-hanging tungsten microelectromechanical system structures. These tungsten structures are designed to serve as electrodes in a Paul ion trap. Since the outer edges of the trap end cap electrodes are adjacent to the inner edges of the trap ring electrode and approximately 0.5 μ m apart, field emission may occur between these two edges when hundreds of volts are applied, thereby defining an edge field emitter. The arrays were tested under vacuum (10(-5) Torr) and at atmospheric pressure (625 Torr) to understand the field emission behavior. Vacuum tests show turn-on voltages of about 200 V for the 1 and 1.5 μ m radius traps and currents of &SIM; 80 nA for both sizes of trap with the largest array (10(6)) at 6 MV/cm. The atmospheric tests showed lower turn-on voltages of approximately 150 V for both the 1 and 1.5 Am radius traps. Currents up to a few μ A were achieved at 6 MV/cm for smaller trap size (1 μ m) in the largest array indicating a gas ionization contribution. The measured current-voltage responses fitted the Fowler-Nordheim characteristics well, confirming that the current increase in vacuum was due to field emission. A stable emission current of 2.03 nA was obtained at 10 MV/cm for 11 min. (C) 2005 American Institute of Physics. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. Univ Calif Los Angeles, Los Angeles, CA 90095 USA. RP Blain, MG (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM blainmg@sandia.gov NR 10 TC 12 Z9 12 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 11 PY 2005 VL 86 IS 15 AR 153502 DI 10.1063/1.1875756 PG 3 WC Physics, Applied SC Physics GA 923HS UT WOS:000228901600104 ER PT J AU Kang, HC Stephenson, GB Liu, C Conley, R Macrander, AT Maser, J Bajt, S Chapman, HN AF Kang, HC Stephenson, GB Liu, C Conley, R Macrander, AT Maser, J Bajt, S Chapman, HN TI High-efficiency diffractive x-ray optics from sectioned multilayers SO APPLIED PHYSICS LETTERS LA English DT Article ID FRESNEL ZONE-PLATE AB We investigate the diffraction properties of sectioned multilayers in Lane (transmission) geometry, at hard x-ray energies (9.5 and 19.5 keV). Two samples are studied, a W/Si multilayer of 200 X (29 nm) periods, and a Mo/Si multilayer of 2020 X (7 nm) periods, with cross-section depths ranging from 2 to 17 μ m. Reflectivities as high as 70% are observed. This exceeds the theoretical limit for standard zone plates operating in the multibeam regime, demonstrating that all of the intensity can be directed into a single diffraction order in small-period structures. (C) 2005 American Institute of Physics. C1 Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. Argonne Natl Lab, Div Sci Mat, Argonne, IL 60439 USA. Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Stephenson, GB (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA. EM stephenson@anl.gov RI Chapman, Henry/G-2153-2010; Bajt, Sasa/G-2228-2010; Conley, Ray/C-2622-2013; Maser, Jorg/K-6817-2013 OI Chapman, Henry/0000-0002-4655-1743; NR 20 TC 26 Z9 27 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 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 11 PY 2005 VL 86 IS 15 AR 151109 DI 10.1063/1.1897061 PG 3 WC Physics, Applied SC Physics GA 923HS UT WOS:000228901600009 ER PT J AU Lereu, AL Passian, A Goudonnet, JP Thundat, T Ferrell, TL AF Lereu, AL Passian, A Goudonnet, JP Thundat, T Ferrell, TL TI Optical modulation processes in thin films based on thermal effects of surface plasmons SO APPLIED PHYSICS LETTERS LA English DT Article ID LIGHT-MODULATOR; REFLECTION; EXCITATION; RESONANCE AB Experimental results are presented for light-on-light modulation at low rates using coupling to nonradiative surface plasmons and their associated thermal effects in a thin gold foil. It is first shown that several modulated Gaussian beams simultaneously exciting surface plasmons in the same region of a thin gold film, will result in a coupling that is revealed in the reflected beams. The observed effects result in the reflected beams undergoing changes in both spatial distribution and intensity levels. A brief study is then presented of the coupling between surface plasmons and an electrical current in the excitation region to further support the role of the surface plasmon induced thermal processes in the gold foil. (C) 2005 American Institute of Physics. C1 Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. Univ Bourgogne, Dept Phys, F-21011 Dijon, France. RP Passian, A (reprint author), Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. EM passianan@ornl.gov RI Lereu, Aude/P-6414-2016 OI Lereu, Aude/0000-0001-7390-7832 NR 12 TC 35 Z9 35 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 11 PY 2005 VL 86 IS 15 AR 154101 DI 10.1063/1.1900311 PG 3 WC Physics, Applied SC Physics GA 923HS UT WOS:000228901600114 ER PT J AU Li, AP Shen, J Thompson, JR Weitering, HH AF Li, AP Shen, J Thompson, JR Weitering, HH TI Ferromagnetic percolation in MnxGe1-x dilute magnetic semiconductor SO APPLIED PHYSICS LETTERS LA English DT Article AB We have studied the magnetic and magnetotransport properties of Mn-doped Ge grown by molecular-beam epitaxy. This group-IV dilute ferromagnetic semiconductor exhibits two magnetic transitions. An upper critical temperature T-C* (&SIM; 112 K for x &SIM; 0.05) is evident from the extrapolated Curie-Weiss susceptibility and from the Arrott plot analysis of anomalous Hall effect data. The existence of a lower critical temperature T-C (&SIM; 12 K for x &SIM; 0.05) is established from ac susceptibility and magnetotransport data. The data are fully compatible with the existence of bound magnetic polarons or clusters below T-C* which percolate at T-C &MLT; T-C*. (C) 2005 American Institute of Physics. C1 Oak Ridge Natl Lab, Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. RP Li, AP (reprint author), Oak Ridge Natl Lab, Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. EM apli@ornl.gov; shenj@ornl.gov; hanno@utk.edu RI Li, An-Ping/B-3191-2012 OI Li, An-Ping/0000-0003-4400-7493 NR 20 TC 104 Z9 106 U1 2 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 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 11 PY 2005 VL 86 IS 15 AR 152507 DI 10.1063/1.1899768 PG 3 WC Physics, Applied SC Physics GA 923HS UT WOS:000228901600068 ER PT J AU Limpijumnong, S Zhang, SB AF Limpijumnong, S Zhang, SB TI Resolving hydrogen binding sites by pressure - A first-principles prediction for ZnO SO APPLIED PHYSICS LETTERS LA English DT Article ID ZINC-OXIDE; SEMICONDUCTORS AB The binding sites and vibrational frequencies ω of H in ZnO are studied by first-principles total-energy calculations. In the past, different experiments have observed different primary H vibrational modes, making the comparison with theory, and hence the identification of the most favorable H site, difficult. Here, we show that by applying a hydrostatic pressure, one should be able to make an unambiguous distinction, in particular, between the bond center sites and antibonding sites. This is because w should increase with pressure for the former but decrease for the latter with the magnitude of calculated slopes about 4 cm(-1)/GPa, which should be large enough to measure. (C) 2005 American Institute of Physics. C1 Suranaree Univ Technol, Inst Sci, Sch Phys, Nakhon Ratchasima 30000, Thailand. Suranaree Univ Technol, Natl Synchrotron Res Ctr, Nakhon Ratchasima 30000, Thailand. Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Limpijumnong, S (reprint author), Suranaree Univ Technol, Inst Sci, Sch Phys, Nakhon Ratchasima 30000, Thailand. EM sukit@sut.ac.th RI Krausnick, Jennifer/D-6291-2013; Zhang, Shengbai/D-4885-2013 OI Zhang, Shengbai/0000-0003-0833-5860 NR 16 TC 124 Z9 129 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 11 PY 2005 VL 86 IS 15 AR 151910 DI 10.1063/1.1900935 PG 3 WC Physics, Applied SC Physics GA 923HS UT WOS:000228901600036 ER PT J AU Nastasi, M Hochbauer, T Lee, JK Misra, A Hirth, JP Ridgway, M Lafford, T AF Nastasi, M Hochbauer, T Lee, JK Misra, A Hirth, JP Ridgway, M Lafford, T TI Nucleation and growth of platelets in hydrogen-ion-implanted silicon SO APPLIED PHYSICS LETTERS LA English DT Article ID SURFACE-LAYER EXFOLIATION; RECOIL DETECTION ANALYSIS; DEPTH; SI; DAMAGE; CUT AB H ion implantation into crystalline Si is known to result in the precipitation of planar defects in the form of platelets. Hydrogen-platelet formation is critical to the process that allows controlled cleavage of Si along the plane of the platelets and subsequent transfer and integration of thinly sliced Si with other substrates. Here we show that H-platelet formation is controlled by the depth of the radiation-induced damage and then develop a model that considers the influence of stress to correctly predict platelet orientation and the depth at which platelet nucleation density is a maximum. (C) 2005 American Institute of Physics. C1 Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. Australian Natl Univ, Canberra, ACT 0200, Australia. Bede Sci Instruments Ltd, Durham DH1 1TW, England. RP Nastasi, M (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. EM nasty@lanl.gov RI Misra, Amit/H-1087-2012; Ridgway, Mark/D-9626-2011 OI Ridgway, Mark/0000-0002-0642-0108 NR 18 TC 49 Z9 49 U1 0 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 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 11 PY 2005 VL 86 IS 15 AR 154102 DI 10.1063/1.1900309 PG 3 WC Physics, Applied SC Physics GA 923HS UT WOS:000228901600115 ER PT J AU Roy, UN Hawrami, RH Cui, Y Morgan, S Burger, A Mandal, KC Noblitt, CC Speakman, SA Rademaker, K Payne, SA AF Roy, UN Hawrami, RH Cui, Y Morgan, S Burger, A Mandal, KC Noblitt, CC Speakman, SA Rademaker, K Payne, SA TI Tb3+-doped KPb2Br5: Low-energy phonon mid-infrared laser crystal SO APPLIED PHYSICS LETTERS LA English DT Article ID ER-DOPED KPB2CL5; ALKALI LEAD; EMISSION PROPERTIES; OPTICAL-PROPERTIES; MU-M; GROWTH; BROMIDE AB Crystals of potassium lead bromide (1013), a moisture-insensitive low-energy phonon laser host, were synthesized and purified. High-quality undoped and Tb3+-doped (nominal doping concentration was 5 mol% TbBr3) KPb2Br5 were grown by the vertical Bridgman technique. X-ray diffraction measurements indicated that, at room temperature, the material was monoclinic with space group P2(1)/c, while at a high temperature the phase transformed to orthorhombic form. A reversible phase transition was observed around 256&DEG; C upon the heating and cooling cycle from differential scanning calorimetric measurements. The material was found to be transparent in the broad range from &SIM; 0.4 μ m to 25 μ m and above. The transmission spectrum of a Tb3+-doped crystal showed different absorption bands of Tb3+ at 4.5 μ m, 3 μ m, 2.3 μ m, and 2 μ m corresponding to F-7(6)-F-7(α) transitions, for α=2-5. The maximum phonon energy of undoped KPb2Br5 at room temperature was determined to be 134 cm(-1) from Raman scattering spectrum. (C) 2005 American Institute of Physics. C1 Fisk Univ, Ctr Excellence Phys & Chem Mat, Nashville, TN 37208 USA. EIC Labs Inc, Norwood, MA 02062 USA. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Univ Hamburg, Inst Laser Phys, D-22761 Hamburg, Germany. RP Roy, UN (reprint author), Fisk Univ, Ctr Excellence Phys & Chem Mat, Nashville, TN 37208 USA. EM aburger@fisk.edu NR 17 TC 17 Z9 17 U1 1 U2 7 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 11 PY 2005 VL 86 IS 15 AR 151911 DI 10.1063/1.1901815 PG 3 WC Physics, Applied SC Physics GA 923HS UT WOS:000228901600037 ER PT J AU Shan, W Walukiewicz, W Ager, JW Yu, KM Zhang, Y Mao, SS Kling, R Kirchner, C Waag, A AF Shan, W Walukiewicz, W Ager, JW Yu, KM Zhang, Y Mao, SS Kling, R Kirchner, C Waag, A TI Pressure-dependent photoluminescence study of ZnO nanowires SO APPLIED PHYSICS LETTERS LA English DT Article ID ROOM-TEMPERATURE; EXCITON; MEDIA AB The pressure dependence of the photoluminescence (PL) transition associated with the fundamental bandgap of ZnO nanowires has been studied at pressures up to 15 GPa. The near-bandedge luminescence emission is found to shift toward higher energy with applied pressure at a rate of 29.2 meV/GPa with a small second-order term of -0.38 meV/GPa(2). An effective hydrostatic deformation potential -3.92 &PLUSMN; 0.15 eV for the direct bandgap of the ZnO nanowires is derived from the results. The broad green emission band in ZnO depends on pressure with a linear slope of 15.9 meV/GPa and a quadratic coefficient of -0.71 meV/GPa(2). The results indicate that the initial states involved in the emission process are deep localized states. (C) 2005 American Institute of Physics. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Environm Energy Technol Div, Adv Energy Technol Dept, Berkeley, CA 94720 USA. Univ Ulm, Dept Semicond Phys, D-89069 Ulm, Germany. Tech Univ Carolo Wilhelmina Braunschweig, Inst Semicond Technol, D-38106 Braunschweig, Germany. RP Shan, W (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM WShan@lbl.gov RI Yu, Kin Man/J-1399-2012; OI Yu, Kin Man/0000-0003-1350-9642; Ager, Joel/0000-0001-9334-9751 NR 18 TC 61 Z9 62 U1 2 U2 22 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 11 PY 2005 VL 86 IS 15 AR 153117 DI 10.1063/1.1901827 PG 3 WC Physics, Applied SC Physics GA 923HS UT WOS:000228901600099 ER PT J AU Thiede, J Distel, J Greenfield, SR Epstein, RI AF Thiede, J Distel, J Greenfield, SR Epstein, RI TI Cooling to 208 K by optical refrigeration SO APPLIED PHYSICS LETTERS LA English DT Article ID ANTI-STOKES FLUORESCENCE; FREQUENCY UP-CONVERSION; CONDENSED-PHASE; GLASSES AB We report cooling to record low temperatures by optical refrigeration with ytterbium-doped zirconium-barium-lanthanum-aluminum-sodium-fluoride glass. The glass cooling element was mounted in vacuum in a low-thermal-emissivity chamber and pumped with the light from a diode-pumped solid state Yb:YAG (ytterbium-doped yttrium-aluminum-garnet) laser. Starting from room temperature, the glass cooling element reached a minimum temperature of &SIM; 208 K when pumped with &SIM; 10 W of 1026-nm light. The heat load at minimum temperature was &SIM; 29 mW. (C) 2005 American Institute of Physics. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Thiede, J (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. NR 20 TC 74 Z9 75 U1 1 U2 17 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 11 PY 2005 VL 86 IS 15 AR 154107 DI 10.1063/1.1900951 PG 3 WC Physics, Applied SC Physics GA 923HS UT WOS:000228901600120 ER PT J AU Burnstein, RA Chakravorty, A Chan, A Chen, YC Choong, WS Clark, K Dukes, EC Durandet, C Felix, J Fuzesy, R Gidal, G Gu, P Gustafson, HR Ho, C Holmstrom, T Huang, M James, C Jenkins, CM Jones, TD Kaplan, DM Lederman, LM Leros, N Longo, MJ Lopez, F Lu, LC Luebke, W Luk, KB Nelson, KS Park, HK Perroud, JP Rajaram, D Rubin, HA Teng, PK Turko, B Volk, J White, CG White, SL Zyla, P AF Burnstein, RA Chakravorty, A Chan, A Chen, YC Choong, WS Clark, K Dukes, EC Durandet, C Felix, J Fuzesy, R Gidal, G Gu, P Gustafson, HR Ho, C Holmstrom, T Huang, M James, C Jenkins, CM Jones, TD Kaplan, DM Lederman, LM Leros, N Longo, MJ Lopez, F Lu, LC Luebke, W Luk, KB Nelson, KS Park, HK Perroud, JP Rajaram, D Rubin, HA Teng, PK Turko, B Volk, J White, CG White, SL Zyla, P TI HyperCP: A high-rate spectrometer for the study of charged hyperon and kaon decays SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE HyperCP; magnetic spectrometer; hadronic calorimeter; hyperon CP violation; rare hyperon and kaon decays; fermilab ID DATA-ACQUISITION-SYSTEM; DATA COMPACTOR; CP-VIOLATION; FIFO; HEP AB The HyperCP experiment (Fermilab E871) was designed to search for rare phenomena in the decays of charged strange particles, in particular CP violation in Xi and Lambda hyperon decays with a sensitivity of 10(-4). Intense charged secondary beams were produced by 800 GeV/c protons and momentum selected by a magnetic channel. Decay products were detected in a large-acceptance, high-rate magnetic spectrometer using multiwire proportional chambers, trigger hodoscopes, a hadronic calorimeter, and a muon-detection system. Nearly identical acceptances and efficiencies for hyperons and antihyperons decaying within an evacuated volume were achieved by reversing the polarities of the channel and spectrometer magnets. A high-rate data-acquisition system enabled 231 billion events to be recorded in 12 months of data-taking. (c) 2005 Elsevier B.V. All rights reserved. C1 Univ Virginia, Charlottesville, VA 22904 USA. IIT, Chicago, IL 60616 USA. Acad Sinica, Taipei 11529, Taiwan. Univ Calif Berkeley, Berkeley, CA 94720 USA. Univ S Alabama, Mobile, AL 36688 USA. Univ Guanajuato, Leon 37000, Mexico. Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. Univ Michigan, Ann Arbor, MI 48109 USA. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Univ Lausanne, CH-1015 Lausanne, Switzerland. RP Dukes, EC (reprint author), Univ Virginia, Charlottesville, VA 22904 USA. EM craigdukes@virginia.edu; k_luk@lbl.gov RI Lu, Lanchun/E-3551-2011 NR 27 TC 21 Z9 21 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 2005 VL 541 IS 3 BP 516 EP 565 DI 10.1016/j.nima.2004.12.031 PG 50 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 922KW UT WOS:000228837800004 ER PT J AU Shanoski, JE Payne, CK Kling, MF Glascoe, EA Harris, CB AF Shanoski, JE Payne, CK Kling, MF Glascoe, EA Harris, CB TI Ultrafast infrared mechanistic studies of the interaction of 1-Hexyne with group 6 hexacarbonyl complexes SO ORGANOMETALLICS LA English DT Article ID DENSITY-FUNCTIONAL THEORY; TRANSITION-METAL CARBONYLS; MOLECULAR-ORBITAL METHODS; VIBRATIONAL-RELAXATION; LIGAND REARRANGEMENT; RATE CONSTANTS; M(CO)6 M=CR; SPECTROSCOPY; ALKYNE; ABSORPTION AB The ultrafast solvation and rearrangement dynamics following the photolysis of M(CO)(6) (M = Cr, Mo, W) in terminal alkyne solutions have been investigated. Upon photoinitiated loss of a ligand from the parent metal hexacarbonyl, coordination to an alkyne solvent molecule is followed by rearrangement to a complex that is bound to the terminal alkyne site in a pi-bonded fashion. This rearrangement occurs on a time scale that is anticorrelated with the metal-ligand binding energy. A dissociative rearrangement is ruled out for this process in favor of an associative or interchange mechanism. Previous theoretical and experimental studies are examined, and we conclude that the ultimate rearrangement to a vinylidene species is energetically inaccessible at ambient temperatures on the femtosecond to millisecond time scale. C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Harris, CB (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM harris@socrates.berkeley.edu RI Payne, Christine/E-5954-2010; Kling, Matthias/D-3742-2014; OI Kling, Matthias/0000-0002-1710-0775 NR 71 TC 22 Z9 22 U1 1 U2 5 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0276-7333 J9 ORGANOMETALLICS JI Organometallics PD APR 11 PY 2005 VL 24 IS 8 BP 1852 EP 1859 DI 10.1021/om49101m PG 8 WC Chemistry, Inorganic & Nuclear; Chemistry, Organic SC Chemistry GA 913YL UT WOS:000228191400012 ER PT J AU Riding, R Liang, LY AF Riding, R Liang, LY TI Geobiology of microbial carbonates: metazoan and seawater saturation state influences on secular trends during the Phanerozoic SO PALAEOGEOGRAPHY PALAEOCLIMATOLOGY PALAEOECOLOGY LA English DT Article DE metazoan diversity; microbial carbonates; Phanerozoic; saturation state; seawater chemistry ID ATMOSPHERIC CO2; SEDIMENTARY CARBONATE; STROMATOLITE DECLINE; OCEAN PH; EVOLUTION; RECORD; CALCIFICATION; MINERALOGY; CHEMISTRY; DIOXIDE AB Microbial carbonates are long-ranging, essentially bacterial, aquatic sediments. Their calcification is dependent on ambient water chemistry and their growth is influenced by competition with other organisms, such as metazoans. In this paper, these relationships are examined by comparing the geological record of microbial carbonates with metazoan history and secular variations in CaCO3 saturation state of seawater. Marine abundance data show that microbial carbonates episodically declined during the Phanerozoic Eon (past 545 Myr) from a peak 500 Myr ago. This abundance trend is generally inverse to that of marine metazoan taxonomic diversity, supporting the view that metazoan competition has progressively limited the formation of microbial carbonates. Lack of empirical values concerning variables such as seawater ionic composition, atmospheric partial pressure of CO2, and pH currently restricts calculation of CaCO3 saturation state for the Phanerozoic as a whole to the use of modeled values. These data, together with palaeotemperature data from oxygen isotope analyses, allow calculation of seawater CaCO3 saturation trends. Microbial carbonate abundance shows broad positive correspondence with calculated seawater saturation state for CaCO3 minerals during the interval 150-545 Myr ago, consistent with the likelihood that seawater chemistry has influenced the calcification and therefore accretion and preservation of microbial carbonates. These comparisons suggest that both metazoan influence and seawater saturation state have combined to determine the broad pattern of marine microbial carbonate abundance throughout much of the Phanerozoic. In contrast, for the major part of the Precambrian it would seem reasonable to expect that seawater saturation state, together with microbial evolution, was the principal factor determining microbial carbonate development. Interrelationships such as these, with feedbacks influencing organisms, sediments, and the environment, are central to geobiology. (c) 2004 Elsevier B.V. All rights reserved. C1 Univ Wales Coll Cardiff, Sch Earth Ocean & Planetary Sci, Cardiff CF10 3YE, S Glam, Wales. Univ Wales Coll Cardiff, Sch Engn, Cardiff CF24 0YF, S Glam, Wales. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Riding, R (reprint author), Univ Wales Coll Cardiff, Sch Earth Ocean & Planetary Sci, Cardiff CF10 3YE, S Glam, Wales. EM riding@cardiff.ac.uk RI Liang, Liyuan/O-7213-2014 OI Liang, Liyuan/0000-0003-1338-0324 NR 84 TC 99 Z9 126 U1 0 U2 15 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0031-0182 J9 PALAEOGEOGR PALAEOCL JI Paleogeogr. Paleoclimatol. Paleoecol. PD APR 11 PY 2005 VL 219 IS 1-2 BP 101 EP 115 DI 10.1016/j.palaeo.2004.11.018 PG 15 WC Geography, Physical; Geosciences, Multidisciplinary; Paleontology SC Physical Geography; Geology; Paleontology GA 919BX UT WOS:000228594400008 ER PT J AU Son, S Fisch, NJ AF Son, S Fisch, NJ TI Pycnonuclear reaction and possible chain reactions in an ultra-dense DT plasma SO PHYSICS LETTERS A LA English DT Article DE aneutronic; fusion; degeneracy; stopping; cold; pycnonuclear; helium; deuterium; chain; reaction ID LIQUID-METALLIC HYDROGEN; DEGENERATE ELECTRON-GAS; COLD NUCLEAR-FUSION; STOPPING POWER; REACTION-RATES; TEMPERATURE; WAVES; DENSITIES; IGNITION; VELOCITY AB In ultra dense matter, fusion reactions might be observable even at zero temperature. We show that these so-called "pycnonuclear reactions" can be appreciable in the laboratory, and that explosive fusion chain-reactions are possible. Moreover, we predict the possibility of fission-like chain reactions. We assess the enhancement due to electron screening and consider the local field correction as well as relativistic effects. (c) 2005 Elsevier B.V. All rights reserved. C1 Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Son, S (reprint author), Princeton Univ, Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. EM sson@pppl.gov; fisch@pppl.gov NR 49 TC 4 Z9 4 U1 1 U2 2 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 11 PY 2005 VL 337 IS 4-6 BP 397 EP 407 DI 10.1016/j.physleta.2005.01.084 PG 11 WC Physics, Multidisciplinary SC Physics GA 913HB UT WOS:000228141100020 ER PT J AU Theocharis, G Kevrekidis, PG Nistazakis, HE Frantzeskakis, DJ Bishop, AR AF Theocharis, G Kevrekidis, PG Nistazakis, HE Frantzeskakis, DJ Bishop, AR TI Generation of dark solitons in oscillating Bose-Einstein condensates SO PHYSICS LETTERS A LA English DT Article ID STABILITY THEORY; SOLITARY WAVES; GAS; PROPAGATION; SYMMETRY; SYSTEMS; MODEL; FLOW AB We propose an experimentally tractable setting for observing an "instability" of a repulsive oscillating Bose-Einstein condensate that leads to the generation of dark solitons. We illustrate that when the trap of the condensate (which incorporates a localized impurity) is displaced so that the condensate flow is characterized by an atomic velocity larger than the local speed of sound, dark solitons are generated. The subcritical, near critical and supercritical are analyzed in detail. (c) 2005 Elsevier B.V. All rights reserved. C1 Univ Athens, Dept Phys, Athens 15784, Greece. Univ Massachusetts, Dept Math & Stat, Amherst, MA 01003 USA. Univ Peloponnese, Dept Telecommun Sci & Technol, Tripolis 21000, Greece. Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Frantzeskakis, DJ (reprint author), Univ Athens, Dept Phys, Athens 15784, Greece. EM dfrantz@cc.uoa.gr NR 49 TC 12 Z9 12 U1 1 U2 5 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 11 PY 2005 VL 337 IS 4-6 BP 441 EP 448 DI 10.1016/j.physleta.2005.01.068 PG 8 WC Physics, Multidisciplinary SC Physics GA 913HB UT WOS:000228141100026 ER PT J AU Pogue, BW Mourant, JR George, J AF Pogue, BW Mourant, JR George, J TI Topics in biomedical optics - part II: introduction SO APPLIED OPTICS LA English DT Editorial Material C1 Dartmouth Coll, Thayer Sch Engn, Hanover, NH 03755 USA. Los Alamos Natl Lab, Div Biosci, Los Alamos, NM 87545 USA. RP Pogue, BW (reprint author), Dartmouth Coll, Thayer Sch Engn, 8000 Cummings Hall, Hanover, NH 03755 USA. EM pogue@Dartmouth.edu NR 0 TC 0 Z9 0 U1 0 U2 0 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 10 PY 2005 VL 44 IS 11 BP 1999 EP 1999 DI 10.1364/AO.44.001999 PG 1 WC Optics SC Optics GA 917JT UT WOS:000228457800001 ER PT J AU Yao, XC Yamauchi, A Perry, B George, JS AF Yao, XC Yamauchi, A Perry, B George, JS TI Rapid optical coherence tomography and recording functional scattering changes from activated frog retina SO APPLIED OPTICS LA English DT Article; Proceedings Paper CT Biomedical Topical Meeting CY APR 01-10, 2005 CL Miami Beach, FL SP Opt Soc Amer ID NEAR-INFRARED TRANSMISSION; LIGHT-SCATTERING; IN-VIVO; NEURAL ACTIVITY; BIREFRINGENCE; PROTEINS; NERVE AB Optical coherence tomography (OCT) has important potential advantages for fast functional neuroimaging. However, dynamic neuroimaging poses demanding requirements for fast and stable acquisition of optical scans. Optical phase modulators based on the electro-optic effect allow rapid phase modulation; however, applications to low-coherence tomography are limited by the optical dispersion of a broadband light source by the electro-optic crystal. We show that the optical dispersion can be theoretically estimated and experimentally compensated. With an electro-optic phase modulator-based, no-moving-parts OCT system, near-infrared scattering changes associated with neural activation were recorded from isolated frog retinas activated by visible light. (c) 2005 Optical Society of America. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Yao, XC (reprint author), Los Alamos Natl Lab, Mail Stop D454, Los Alamos, NM 87545 USA. EM jsg@lanl.gov NR 19 TC 73 Z9 74 U1 0 U2 4 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1559-128X EI 2155-3165 J9 APPL OPTICS JI Appl. Optics PD APR 10 PY 2005 VL 44 IS 11 BP 2019 EP 2023 DI 10.1364/AO.44.002019 PG 5 WC Optics SC Optics GA 917JT UT WOS:000228457800005 PM 15835350 ER PT J AU Michalopoulou, AP Fitzgerald, JT Troppmann, C Demos, SG AF Michalopoulou, AP Fitzgerald, JT Troppmann, C Demos, SG TI Spectroscopic imaging for detection of ischemic injury in rat kidneys by use of changes in intrinsic optical properties SO APPLIED OPTICS LA English DT Article; Proceedings Paper CT Biomedical Topical Meeting CY APR 01-10, 2005 CL Miami Beach, FL SP Opt Soc Amer ID OXIDATIVE PHOSPHORYLATION; RESPIRATORY ENZYMES; PYRIDINE-NUCLEOTIDE; REAL-TIME; FLUORESCENCE; LIVER; NADH; METABOLISM; VIABILITY; TRANSPLANTATION AB It is currently impossible to consistently predict kidney graft viability and function before and after transplantation. We explored optical spectroscopy to assess the degree of ischemic damage in kidney tissue. Tunable UV laser excitation was used to record autofluorescence images, at different spectral ranges, of injured and contralateral control rat kidneys to reveal the excitation conditions that offered optimal contrast. Autofluorescence and near-infrared cross-polarized light-scattering imaging were both used to monitor changes in intensity and spectral characteristics, as a function of exposure time to ischemic injury. These two modalities provided different temporal behaviors, arguably arising from two different mechanisms providing direct correlation of intrinsic optical signatures to ischemic injury time. (c) 2005 Optical Society of America. C1 Univ Calif Davis, Ctr Med, Dept Surg, Davis, CA 95616 USA. Univ Calif Davis, Dept Urol, Davis, CA 95616 USA. Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Michalopoulou, AP (reprint author), Univ Calif Davis, Ctr Med, Dept Surg, Davis, CA 95616 USA. EM Demos1@llnl.gov NR 34 TC 9 Z9 9 U1 0 U2 0 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 10 PY 2005 VL 44 IS 11 BP 2024 EP 2032 DI 10.1364/AO.44.002024 PG 9 WC Optics SC Optics GA 917JT UT WOS:000228457800006 PM 15835351 ER PT J AU Abbasi, RU Abu-Zayyad, T Amann, JF Archbold, G Atkins, R Bellido, JA Belov, K Belz, JW Ben-Zvi, SY Bergman, DR Boyer, JH Burt, GW Cao, Z Clay, RW Connolly, BM Dawson, BR Deng, W Farrar, GR Fedorova, Y Findlay, J Finley, CB Hanlon, WF Hoffman, CM Holzscheiter, MH Hughes, GA Huntemeyer, P Jui, CCH Kim, K Kirn, MA Knapp, BC Loh, EC Maestas, MM Manago, N Mannel, EJ Marek, LJ Martens, K Matthews, JAJ Matthews, JN O'Neill, A Painter, CA Perera, L Reil, K Riehle, R Roberts, MD Sasaki, M Schnetzer, SR Seman, M Simpson, KM Sinnis, G Smith, JD Snow, R Sokolsky, P Song, C Springer, RW Stokes, BT Thomas, JR Thomas, SB Thomson, GB Tupa, D Westerhoff, S Wiencke, LR Zech, A AF Abbasi, RU Abu-Zayyad, T Amann, JF Archbold, G Atkins, R Bellido, JA Belov, K Belz, JW Ben-Zvi, SY Bergman, DR Boyer, JH Burt, GW Cao, Z Clay, RW Connolly, BM Dawson, BR Deng, W Farrar, GR Fedorova, Y Findlay, J Finley, CB Hanlon, WF Hoffman, CM Holzscheiter, MH Hughes, GA Huntemeyer, P Jui, CCH Kim, K Kirn, MA Knapp, BC Loh, EC Maestas, MM Manago, N Mannel, EJ Marek, LJ Martens, K Matthews, JAJ Matthews, JN O'Neill, A Painter, CA Perera, L Reil, K Riehle, R Roberts, MD Sasaki, M Schnetzer, SR Seman, M Simpson, KM Sinnis, G Smith, JD Snow, R Sokolsky, P Song, C Springer, RW Stokes, BT Thomas, JR Thomas, SB Thomson, GB Tupa, D Westerhoff, S Wiencke, LR Zech, A TI Search for point sources of ultra-high-energy cosmic rays above 4.0 x 10(19) eV using a maximum likelihood ratio test SO ASTROPHYSICAL JOURNAL LA English DT Article DE acceleration of particles; cosmic rays; large-scale structure of universe ID AIR-SHOWER ARRAY; SMALL-SCALE ANISOTROPY; FLYS EYE; SPECTRUM AB We present the results of a search for cosmic-ray point sources at energies in excess of 4.0 x 10(19) eV in the combined data sets recorded by the Akeno Giant Air Shower Array and High Resolution Fly's Eye stereo experiments. The analysis is based on a maximum likelihood ratio test using the probability density function for each event rather than requiring an a priori choice of a fixed angular bin size. No statistically significant clustering of events consistent with a point source is found. 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. Columbia Univ, Dept Phys, New York, NY 10027 USA. Columbia Univ, Nevis Labs, New York, NY 10027 USA. Rutgers State Univ, Dept Phys & Astron, Piscataway, NJ 08854 USA. NYU, Dept Phys, Ctr Cosmol & Particle Phys, New York, NY 10003 USA. Univ Tokyo, Inst Cosm Ray Res, Kashiwa, Chiba 2778582, Japan. Univ New Mexico, Dept Phys & Astron, Albuquerque, NM 87131 USA. RP Univ Utah, Dept Phys, Salt Lake City, UT 84112 USA. EM gf25@nyu.edu; finley@physics.columbia.edu; westerhoff@nevis.columbia.edu RI Song, Chihwa/A-3455-2008; Martens, Kai/A-4323-2011; Belov, Konstantin/D-2520-2013 NR 21 TC 33 Z9 33 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X EI 1538-4357 J9 ASTROPHYS J JI Astrophys. J. PD APR 10 PY 2005 VL 623 IS 1 BP 164 EP 170 DI 10.1086/428570 PN 1 PG 7 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 914AV UT WOS:000228197700016 ER PT J AU Rockefeller, G Fryer, CL Melia, F Wang, QD AF Rockefeller, G Fryer, CL Melia, F Wang, QD TI Diffuse X-rays from the Arches and Quintuplet clusters SO ASTROPHYSICAL JOURNAL LA English DT Article DE Galaxy : center; globular clusters : individual (Arches, Quintuplet) radiation mechanisms : thermal; shock waves; stars : winds, outflows ID GALACTIC-CENTER; MASSIVE STARS; STELLAR CLUSTERS; PISTOL STAR; BLACK-HOLE; WINDS; SUPERNOVAE; EMISSION; CORE; FATE AB The origin and initial mass function of young stellar clusters near the Galactic center are still poorly understood. Two of the more prominent ones, the Arches and Quintuplet clusters, may have formed from a shock-induced burst of star formation, given their similar age and proximity to each other. Their unusual mass distribution, however, may be evidence of a contributing role played by other factors, such as stellar capture from regions outside the clusters themselves. Diffuse X-ray emission from these sources provides us with a valuable, albeit indirect, measure of the stellar mass-loss rate from their constituents. Using recent data acquired with Chandra, we can study the nature and properties of the outflow to not only probe the pertinent physical conditions, such as high metallicity, the magnetic field, and so forth, but also to better constrain the stellar distribution within the clusters, in order to identify their formative history. In this paper, we present a set of three-dimensional smoothed particle hydrodynamics simulations of the wind-wind interactions in both the Arches and Quintuplet clusters. We are guided primarily by the currently known properties of the constituent stars, though we vary the mass-loss rates in order to ascertain the dependence of the measured X-ray flux on the assumed stellar characteristics. Our results are compared with the latest observations of the Arches cluster. Our analysis of the Quintuplet cluster may be used as a basis for comparison with future X-ray observations of this source. 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. Univ Massachusetts, Dept Astron, Amherst, MA 01003 USA. RP Rockefeller, G (reprint author), Univ Arizona, Dept Phys, 1118 E 4th St, Tucson, AZ 85721 USA. RI Rockefeller, Gabriel/G-2920-2010 OI Rockefeller, Gabriel/0000-0002-9029-5097 NR 27 TC 24 Z9 24 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 2005 VL 623 IS 1 BP 171 EP 180 DI 10.1086/428605 PN 1 PG 10 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 914AV UT WOS:000228197700017 ER PT J AU Fryer, CL Heger, A AF Fryer, CL Heger, A TI Binary merger progenitors for gamma-ray bursts and hypernovae SO ASTROPHYSICAL JOURNAL LA English DT Article DE black hole physics; gamma rays : bursts; stars : neutron; supernovae : general ID ROTATING MASSIVE STARS; BLACK-HOLE FORMATION; 29 MARCH 2003; PRESUPERNOVA EVOLUTION; SUPERNOVA EXPLOSIONS; NEUTRON-STARS; 3 DIMENSIONS; COLLAPSE; ACCRETION; SIMULATIONS AB The collapsar model, the now leading model for the engine behind gamma-ray bursts and hypernovae, requires that a star collapses to form a black hole surrounded by an accretion disk of high angular momentum material. The current best theoretical stellar models, however, do not retain enough angular momentum in the core of the star to make a centrifugally supported disk. In this paper, we present the first calculations of the helium star / helium star merger progenitors for the collapsar model. These progenitors invoke the merger of two helium cores during the common-envelope inspiral phase of a binary system. We find that in some cases, the merger can produce cores that are rotating 3 - 10 times faster than single stars. He star / He star gamma-ray burst progenitors have a very different redshift distribution than their single-star gamma-ray burst progenitors, and we discuss how gamma-ray burst observations can constrain these progenitors. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Univ Arizona, Dept Phys, Tucson, AZ 85721 USA. Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. RP Fryer, CL (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM fryer@lanl.gov; aheger@lanl.gov NR 42 TC 91 Z9 91 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 2005 VL 623 IS 1 BP 302 EP 313 DI 10.1086/428379 PN 1 PG 12 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 914AV UT WOS:000228197700028 ER PT J AU Pruet, J Woosley, SE Buras, R Janka, HT Hoffman, RD AF Pruet, J Woosley, SE Buras, R Janka, HT Hoffman, RD TI Nucleosynthesis in the hot convective bubble in core-collapse supernovae SO ASTROPHYSICAL JOURNAL LA English DT Article DE nuclear reactions, nucleosynthesis, abundances; supernovae : general ID NEUTRINO-DRIVEN WINDS; R-PROCESS NUCLEOSYNTHESIS; INTERMEDIATE-MASS NUCLEI; GAMMA-RAY BURSTS; PROTONEUTRON STARS; REACTION-RATES; ALPHA-PROCESS; EARLY GALAXY; PHYSICS; HYDRODYNAMICS AB As an explosion develops in the collapsed core of a massive star, neutrino emission drives convection in a hot bubble of radiation, nucleons, and pairs just outside a proto - neutron star. Shortly thereafter, neutrinos drive a wind-like outflow from the neutron star. In both the convective bubble and the early wind, weak interactions temporarily cause a proton excess (Y-e greater than or similar to 0.50) to develop in the ejected matter. This situation lasts for at least the first second, and the approximately 0.05 - 0.1 M-. that is ejected has an unusual composition that may be important for nucleosynthesis. Using tracer particles to follow the conditions in a two-dimensional model of a supernova explosion calculated by Janka, Buras, & Rampp, we determine the composition of this material. Most of it is helium and Ni-56. The rest is relatively rare species produced by the decay of proton-rich isotopes unstable to positron emission. In the absence of pronounced charged-current neutrino capture, nuclear flow will be held up by long-lived waiting-point nuclei in the vicinity of Ge-64. The resulting abundance pattern can be modestly rich in a few interesting rare isotopes like Sc-45, Ti-49, and Zn-64. The present calculations imply yields that, when compared with the production of major species in the rest of the supernova, are about those needed to account for the solar abundance of 45Sc and Ti-49. Since the synthesis will be nearly the same in stars of high and low metallicity, the primary production of these species may have discernible signatures in the abundances of low-metallicity stars. We also discuss uncertainties in the nuclear physics and early supernova evolution to which abundances of interesting nuclei are sensitive. C1 Lawrence Livermore Natl Lab, Div N, Livermore, CA 94550 USA. Univ Calif Santa Cruz, Dept Astron & Astrophys, Santa Cruz, CA 95064 USA. Max Planck Inst Astrophys, D-85741 Garching, Germany. RP Lawrence Livermore Natl Lab, Div N, POB 808, Livermore, CA 94550 USA. EM pruet1@llnl.gov; woosley@ucolick.org; rburas@mpa-garching.mpg.de; thj@mpa-garching.mpg.de; rdhoffman@llnl.gov RI Buras-Schnell, Robert/B-3170-2011 OI Buras-Schnell, Robert/0000-0002-4217-4522 NR 46 TC 101 Z9 102 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X EI 1538-4357 J9 ASTROPHYS J JI Astrophys. J. PD APR 10 PY 2005 VL 623 IS 1 BP 325 EP 336 DI 10.1086/428281 PN 1 PG 12 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 914AV UT WOS:000228197700030 ER PT J AU Fragile, PC Anninos, P AF Fragile, PC Anninos, P TI Hydrodynamic simulations of tilted thick-disk accretion onto a Kerr black hole SO ASTROPHYSICAL JOURNAL LA English DT Article DE accretion, accretion disks; black hole physics; hydrodynamics; methods : numerical relativity ID 3-DIMENSIONAL SIMULATIONS; ANGULAR-MOMENTUM; NEUTRON-STARS; FLUID DISKS; TORI; INSTABILITY; PRECESSION; EVOLUTION; BINARIES; SPINS AB We present results from fully general relativistic three-dimensional numerical studies of thick-disk accretion onto a rapidly rotating ( Kerr) black hole with a spin axis that is tilted ( not aligned) with the angular momentum vector of the disk. We initialize the problem with the solution for an aligned, constant angular momentum, accreting thick disk, which is then allowed to respond to the Lense-Thirring precession of the tilted black hole. The precession causes the disk to warp, beginning at the inner edge and moving out on roughly the Lense-Thirring precession timescale. The propagation of the warp stops at a radius in the disk at which other dynamical timescales, primarily the azimuthal sound-crossing time, become shorter than the precession time. At this point, the warp effectively freezes into the disk, and the evolution becomes quasi-static, except in cases where the sound-crossing time in the bulk of the disk is shorter than the local precession timescale. We see evidence that such disks undergo near solid-body precession after the initial warping has frozen in. Simultaneous to the warping of the disk, there is also a tendency for the midplane to align with the symmetry plane of the black hole as a result of the preferential accretion of the most tilted disk gas. This alignment is not as pronounced, however, as it would be if more efficient angular momentum transport (e.g., from viscosity or magnetorotational instability) were considered. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Fragile, PC (reprint author), Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94550 USA. NR 36 TC 48 Z9 48 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X EI 1538-4357 J9 ASTROPHYS J JI Astrophys. J. PD APR 10 PY 2005 VL 623 IS 1 BP 347 EP 361 DI 10.1086/428433 PN 1 PG 15 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 914AV UT WOS:000228197700032 ER PT J AU Margolin, LG Rider, WJ AF Margolin, LG Rider, WJ TI The design and construction of implicit LES models SO INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN FLUIDS LA English DT Article; Proceedings Paper CT 8th ICFD Conference on Numerical Methods for Fluid Dynamics CY 2004 CL Oxford Univ Comp Lab, Oxford, ENGLAND SP Inst Computat Fluid Dynam HO Oxford Univ Comp Lab DE nonoscillatory methods; implicit turbulence modelling ID CONSERVATION-LAWS; TURBULENCE; DIFFUSION; ADVECTION; FLOWS AB We offer preliminary thoughts on the design of a modified equation and the construction of a corresponding numerical algorithm, which may be intended for use in an implicit large eddy simulation. The principle of design here is based on ensuring a form for the energy dissipation that is not significantly dissipative on the resolved scales of the numerical mesh, but is strongly dissipative when the solution is unresolved and so provides strong nonlinear stability in the simulation. The construction process is modelled on the composition (hybridization) of two flux approximations by means of a nonlinear, flow-dependent switch. Published in 2004 by John Wiley & Sons, Ltd. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Los Alamos Natl Lab, MS B218, Los Alamos, NM 87545 USA. EM len@lanl.gov; rider@lanl.gov NR 15 TC 24 Z9 24 U1 1 U2 3 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0271-2091 EI 1097-0363 J9 INT J NUMER METH FL JI Int. J. Numer. Methods Fluids PD APR 10 PY 2005 VL 47 IS 10-11 BP 1173 EP 1179 DI 10.1002/fld.862 PG 7 WC Computer Science, Interdisciplinary Applications; Mathematics, Interdisciplinary Applications; Mechanics; Physics, Fluids & Plasmas SC Computer Science; Mathematics; Mechanics; Physics GA 911UW UT WOS:000228032300018 ER PT J AU Rider, WJ Greenough, JA Kamm, JR AF Rider, WJ Greenough, JA Kamm, JR TI Combining high-order accuracy with non-oscillatory methods through monotonicity preservationt SO INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN FLUIDS LA English DT Article; Proceedings Paper CT 8th ICFD Conference on Numerical Methods for Fluid Dynamics CY 2004 CL Oxford Univ Comp Lab, Oxford, ENGLAND SP Inst Computat Fluid Dynam HO Oxford Univ Comp Lab DE high-order; non-oscillatory; monotonicity preserving ID SCHEMES AB We have extended the usual notions used in high-resolution methods. Rather than applying a single principle such as monotonicity or essentially non-oscillatory stencil selection, we hybridize multiple principles applying them where they are most effective. We define methods that blend high-order accuracy with essentially non-oscillatory methods when monotonicity conditions are violated. The methods can be defined with a number of variants leading to results with differing properties. We also focus on the impact of the selection of the high-order accurate stencil on the overall method. Published in 2005 by John Wiley & Sons, Ltd. C1 Los Alamos Natl Lab, Div Appl Phys, Los Alamos, NM 87545 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Los Alamos Natl Lab, Div Appl Phys, MS F699, Los Alamos, NM 87545 USA. EM rider@lanl.gov NR 14 TC 5 Z9 5 U1 0 U2 1 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0271-2091 EI 1097-0363 J9 INT J NUMER METH FL JI Int. J. Numer. Methods Fluids PD APR 10 PY 2005 VL 47 IS 10-11 BP 1253 EP 1259 DI 10.1002/fld.875 PG 7 WC Computer Science, Interdisciplinary Applications; Mathematics, Interdisciplinary Applications; Mechanics; Physics, Fluids & Plasmas SC Computer Science; Mathematics; Mechanics; Physics GA 911UW UT WOS:000228032300028 ER PT J AU Burkert, VD AF Burkert, VD TI Highlights of recent results with CLAS SO INTERNATIONAL JOURNAL OF MODERN PHYSICS A LA English DT Article; Proceedings Paper CT 10th International Symposium on Meson-Nucleon Physics and Structure of the Nucleon CY AUG 29-SEP 04, 2004 CL Chinese Acad Sci, Inst High Energy Phys, Beijing, PEOPLES R CHINA HO Chinese Acad Sci, Inst High Energy Phys DE nucleon resonances; spin structure; pentaquarks ID FORM-FACTORS; SUM-RULE; MODEL; ELECTROEXCITATION; ELECTROPRODUCTION; EXPLANATION; RESONANCES; AMPLITUDES; BARYONS; DECAYS AB Recent results on the study of the electromagnetic structure of nucleon resonances, the spin structure of protons and neutrons at small and intermediate photon virtuality, and the search for exotic pentaquark baryons are presented. C1 Div Phys, Jefferson Lab, Newport News, VA 23606 USA. RP Burkert, VD (reprint author), Div Phys, Jefferson Lab, 12000 Jefferson Ave, Newport News, VA 23606 USA. NR 51 TC 1 Z9 1 U1 0 U2 0 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 0217-751X EI 1793-656X J9 INT J MOD PHYS A JI Int. J. Mod. Phys. A PD APR 10 PY 2005 VL 20 IS 8-9 BP 1531 EP 1542 DI 10.1142/S0217751X05022950 PG 12 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 925XA UT WOS:000229085600002 ER PT J AU Sato, T Lee, TSH AF Sato, T Lee, TSH TI Dynamical model of electroweak pion production reaction SO INTERNATIONAL JOURNAL OF MODERN PHYSICS A LA English DT Article; Proceedings Paper CT 10th International Symposium on Meson-Nucleon Physics and Structure of the Nucleon CY AUG 29-SEP 04, 2004 CL Chinese Acad Sci, Inst High Energy Phys, Beijing, PEOPLES R CHINA HO Chinese Acad Sci, Inst High Energy Phys DE baryon resonance; neutrino reaction; axial form factor ID QUARK-MODEL; PHOTOPRODUCTION; NUCLEON; AMPLITUDES; ELECTROPRODUCTION; DEUTERIUM; UNITARY AB The dynamical model of pion electroproduction developed by the authors has been extended to study the pion weak production reaction. The axial vector N - Delta transition form factor G(A)(N Delta) obtained from the analysis of existing neutrino reaction data and the role of dynamical pion cloud on G(A)(N Delta) are discussed. C1 Osaka Univ, Grad Sch Sci, Dept Phys, Toyonaka, Osaka 5600043, Japan. Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. RP Sato, T (reprint author), Osaka Univ, Grad Sch Sci, Dept Phys, Toyonaka, Osaka 5600043, Japan. EM tsato@phys.sci.osaka-u.ac.jp NR 28 TC 2 Z9 2 U1 0 U2 0 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 0217-751X J9 INT J MOD PHYS A JI Int. J. Mod. Phys. A PD APR 10 PY 2005 VL 20 IS 8-9 BP 1668 EP 1673 DI 10.1142/S0217751X05023153 PG 6 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 925XA UT WOS:000229085600022 ER PT J AU Holl, A Krassnigg, A Roberts, CD Wright, SV AF Holl, A Krassnigg, A Roberts, CD Wright, SV TI On the complexion of pseudoscalar mesons SO INTERNATIONAL JOURNAL OF MODERN PHYSICS A LA English DT Article; Proceedings Paper CT 10th International Symposium on Meson-Nucleon Physics and Structure of the Nucleon CY AUG 29-SEP 04, 2004 CL Chinese Acad Sci, Inst High Energy Phys, Beijing, PEOPLES R CHINA HO Chinese Acad Sci, Inst High Energy Phys DE confinement; dynamical chiral symmetry breaking; meson properties ID DYSON-SCHWINGER EQUATIONS; CHIRAL SYMMETRY; PHYSICS; STATES; MASS AB A strongly momentum-dependent dressed-quark mass function is basic to QCD. It is central to the appearance of a constituent-quark mass-scale and an existential prerequisite for Goldstone modes. Dyson-Schwinger equation (DSEs) studies have long emphasised this importance, and have proved that QCD's Goldstone modes are the only pseudoscalar mesons to possess a nonzero leptonic decay constant in the chiral limit when chiral symmetry is dynamically broken, while the decay constants of their radial excitations vanish. Such features are readily illustrated using a rainbow-ladder truncation of the DSEs. In this connection we find (in GeV): f(eta c(1S)) = 0.233, m(eta c(2S)) = 3.42; and support for interpreting eta(1295), eta(1470) as the first radial excitations of eta(548), eta'(958), respectively, and K(1460) as the first radial excitation of the kaon. Moreover, such radial excitations have electromagnetic diameters greater than 2 fm. This exceeds the spatial length of lattices used typically in contemporary lattice-QCD. C1 Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. Univ Rostock, Fachbereich Phys, D-18051 Rostock, Germany. RP Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. OI Roberts, Craig/0000-0002-2937-1361 NR 27 TC 23 Z9 23 U1 0 U2 0 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 0217-751X EI 1793-656X J9 INT J MOD PHYS A JI Int. J. Mod. Phys. A PD APR 10 PY 2005 VL 20 IS 8-9 BP 1778 EP 1784 DI 10.1142/S0217751X05023323 PG 7 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 925XA UT WOS:000229085600039 ER PT J AU Page, PR AF Page, PR TI Hybrid and conventional baryons in the flux-tube and quark models SO INTERNATIONAL JOURNAL OF MODERN PHYSICS A LA English DT Article; Proceedings Paper CT 10th International Symposium on Meson-Nucleon Physics and Structure of the Nucleon CY AUG 29-SEP 04, 2004 CL Chinese Acad Sci, Inst High Energy Phys, Beijing, PEOPLES R CHINA HO Chinese Acad Sci, Inst High Energy Phys DE baryon; flux-tube; hybrid; decay ID SU(3) LATTICE QCD; BREAKING; DECAYS; J/PSI; STATE AB The status of conventional baryon flux-tubes and hybrid baryons is reviewed. Recent surprises are that a model prediction indicates that hybrid baryons are very weakly produced in glue-rich Psi decays, and an analysis of electro-production data concludes that the Roper resonance is not a hybrid baryon. The baryon decay flux-tube overlap has been calculated in the flux-tube model, and is discussed here. The behavior of the overlap follows naive expectations. C1 Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Page, PR (reprint author), Los Alamos Natl Lab, Div Theoret, MS B283, Los Alamos, NM 87545 USA. EM prp@lanl.gov RI Page, Philip/L-1885-2015 OI Page, Philip/0000-0002-2201-6703 NR 17 TC 3 Z9 3 U1 0 U2 1 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 0217-751X EI 1793-656X J9 INT J MOD PHYS A JI Int. J. Mod. Phys. A PD APR 10 PY 2005 VL 20 IS 8-9 BP 1791 EP 1796 DI 10.1142/S0217751X05023347 PG 6 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 925XA UT WOS:000229085600041 ER PT J AU Goldman, T AF Goldman, T TI Non-nuclear multiquark states: Dibaryons and pentaquarks from a successful nuclear quark model SO INTERNATIONAL JOURNAL OF MODERN PHYSICS A LA English DT Article; Proceedings Paper CT 10th International Symposium on Meson-Nucleon Physics and Structure of Nucleon CY AUG 29-SEP 04, 2004 CL Chinese Acad Sci, Inst High Energy Phys, Beijing, PEOPLES R CHINA HO Chinese Acad Sci, Inst High Energy Phys DE dibaryons; pentaquarks; quark models ID DELOCALIZATION AB A model for nuclei described directly in terms of quarks has been developed in both relativistic and non-relativistic forms. It describes nuclear binding energy and structure for small nuclei (A = 3,4) systematically correctly, including the EMC effect. With one free parameter each for strange and for nonstrange states, it also well describes low energy baryon-nucleon scattering, phase shifts and potentials. It predicts low mass, narrow dibaryon and pentaquark states. To be consistent with reported states, new physics may be required that is not included in any quark model to date. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Goldman, T (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. EM tgoldman@lanl.gov NR 20 TC 1 Z9 1 U1 0 U2 0 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 0217-751X J9 INT J MOD PHYS A JI Int. J. Mod. Phys. A PD APR 10 PY 2005 VL 20 IS 8-9 BP 1963 EP 1966 DI 10.1142/S0217751X05023748 PG 4 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 925XA UT WOS:000229085600081 ER PT J AU Rieben, RN Rodrigue, GH White, DA AF Rieben, RN Rodrigue, GH White, DA TI A high order mixed vector finite element method for solving the time dependent Maxwell equations on unstructured grids SO JOURNAL OF COMPUTATIONAL PHYSICS LA English DT Article DE computational electromagnetics; Maxwell's equations; vector finite elements; high order methods; H(Curl) and H(Div) -conforming methods; discrete differential forms; spurious modes; numerical dispersion ID NUMERICAL DISPERSION; DOMAIN; INTEGRATION; BOUNDARY; ELECTROMAGNETICS; APPROXIMATION; SCATTERING; BASES AB We present a mixed vector finite element method for solving the time dependent coupled Ampere and Faraday laws of Maxwell's equations on unstructured hexahedral grids that employs high order discretization in both space and time. The method is of arbitrary order accuracy in space and up to 4th order accurate in time, making it well suited for electrically large problems where grid anisotropy and numerical dispersion have plagued other methods. In addition, the method correctly models both the jump discontinuities and the divergence-free properties of the electric and magnetic fields, is charge and energy conserving, conditionally stable, and free of spurious modes. Several computational experiments are performed to demonstrate the accuracy, efficiency and benefits of the method. (c) 2004 Elsevier Inc. All rights reserved. C1 Lawrence Livermore Natl Lab, Defense Sci Engn Div, Livermore, CA 94551 USA. Univ Calif Davis, Dept Appl Sci, Davis, CA USA. Lawrence Livermore Natl Lab, Inst Sci Comp Res, Livermore, CA 94551 USA. RP Rieben, RN (reprint author), Lawrence Livermore Natl Lab, Defense Sci Engn Div, POB 808 L419, Livermore, CA 94551 USA. EM rieben1@llnl.gov NR 42 TC 37 Z9 37 U1 0 U2 4 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 2005 VL 204 IS 2 BP 490 EP 519 DI 10.1016/j.jcp.2004.10.030 PG 30 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 916YR UT WOS:000228423200005 ER PT J AU Brown, PN Shumaker, DE Woodward, CS AF Brown, PN Shumaker, DE Woodward, CS TI Fully implicit solution of large-scale non-equilibrium radiation diffusion with high order time integration SO JOURNAL OF COMPUTATIONAL PHYSICS LA English DT Article DE radiation diffusion; implicit methods; time integration; parallel computing ID NEWTON-KRYLOV METHOD; STEP-SIZE SELECTION; ODE SOLVER; EQUATIONS; ALGORITHM; SYSTEMS; ENERGY; HYDRODYNAMICS; FORMULAS; CODES AB We present a solution method for fully implicit radiation diffusion problems discretized on meshes having millions of spatial zones. This solution method makes use of high order in time integration techniques, inexact Newton-Krylov nonlinear solvers, and multigrid preconditioners. We explore the advantages and disadvantages of high order time integration methods for the fully implicit formulation on both two- and three-dimensional problems with tabulated opacities and highly nonlinear fusion source terms. (c) 2004 Elsevier Inc. All rights reserved. C1 Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94551 USA. RP Woodward, CS (reprint author), Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, POB 808,L-561, Livermore, CA 94551 USA. EM pnbrown@llnl.gov; shumaker1@llnl.gov; cswoodward@llnl.gov RI Woodward, Carol/M-4008-2014 NR 44 TC 21 Z9 24 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 2005 VL 204 IS 2 BP 760 EP 783 DI 10.1016/j.jcp.2004.10.031 PG 24 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 916YR UT WOS:000228423200016 ER PT J AU Wunsch, S Kerstein, AR AF Wunsch, S Kerstein, AR TI A stochastic model for high-Rayleigh-number convection SO JOURNAL OF FLUID MECHANICS LA English DT Article ID TURBULENT THERMAL-CONVECTION; BENARD CONVECTION; PRANDTL-NUMBER; PASSIVE SCALAR; HEAT-TRANSFER; SIMULATIONS; DEPENDENCE; FLUCTUATIONS; STATISTICS; TRANSPORT AB A stochastic one-dimensional model for thermal convection is formulated and applied to high-Rayleigh-number convection. Comparisons with experimental data for heat transfer in Rayleigh-Benard cells are used to estimate two model parameters. Reasonable agreement with experimental results is obtained over a wide range of physical parameter values (six orders of magnitude in Rayleigh number, five orders of magnitude in Prandtl number). Using the model, the statistics of fluctuations in the core of the convection cell are studied. Good agreement with available experimental data is obtained. Two distinct p.d.f. shapes are seen; one at low Prandtl number which matches experimental observations, and another at high Prandtl number for which no experimental data exists. The model results are interpreted in terms of two distinct mechanisms for the production of core fluctuations. C1 Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. RP Wunsch, S (reprint author), Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. NR 38 TC 22 Z9 23 U1 0 U2 4 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0022-1120 J9 J FLUID MECH JI J. Fluid Mech. PD APR 10 PY 2005 VL 528 BP 173 EP 205 DI 10.1017/S0022112004003258 PG 33 WC Mechanics; Physics, Fluids & Plasmas SC Mechanics; Physics GA 921NH UT WOS:000228770800008 ER PT J AU Wing, S Johnson, JR Jen, J Meng, CI Sibeck, DG Bechtold, K Freeman, J Costello, K Balikhin, M Takahashi, K AF Wing, S Johnson, JR Jen, J Meng, CI Sibeck, DG Bechtold, K Freeman, J Costello, K Balikhin, M Takahashi, K TI Kp forecast models SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS LA English DT Article ID SOLAR-WIND DATA; GEOMAGNETIC-ACTIVITY; NEURAL-NETWORKS; FIELD; MAGNETOSPHERE; PREDICTIONS; BOUNDARY; PRECIPITATION; INTENSITY; SHEET AB Magnetically active times, e.g., Kp > 5, are notoriously difficult to predict, precisely the times when such predictions are crucial to the space weather users. Taking advantage of the routinely available solar wind measurements at Langrangian point (L1) and nowcast Kps, Kp forecast models based on neural networks were developed with the focus on improving the forecast for active times. To satisfy different needs and operational constraints, three models were developed: (1) a model that inputs nowcast Kp and solar wind parameters and predicts Kp 1 hour ahead; (2) a model with the same input as model 1 and predicts Kp 4 hour ahead; and (3) a model that inputs only solar wind parameters and predicts Kp 1 hour ahead (the exact prediction lead time depends on the solar wind speed and the location of the solar wind monitor). Extensive evaluations of these models and other major operational Kp forecast models show that while the new models can predict Kps more accurately for all activities, the most dramatic improvements occur for moderate and active times. Information dynamics analysis of Kp suggests that geospace is more dominated by internal dynamics near solar minimum than near solar maximum, when it is more directly driven by external inputs, namely solar wind and interplanetary magnetic field ( IMF). C1 Johns Hopkins Univ, Appl Phys Lab, Laurel, MD 20723 USA. Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. Univ Sheffield, Dept Automat Control & Syst Engn, Sheffield S1 3JD, S Yorkshire, England. Rice Univ, Dept Phys & Astron, Houston, TX 77005 USA. NASA, Lyndon B Johnson Space Ctr, Houston, TX 77058 USA. RP Wing, S (reprint author), Johns Hopkins Univ, Appl Phys Lab, 11100 Johns Hopkins Rd, Laurel, MD 20723 USA. EM simon.wing@jhuapl.edu RI Sibeck, David/D-4424-2012 NR 39 TC 49 Z9 51 U1 3 U2 6 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 9 PY 2005 VL 110 IS A4 AR A04203 DI 10.1029/2004JA010500 PG 14 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 916JS UT WOS:000228381800002 ER PT J AU Card, GL Peterson, NA Smith, CA Rupp, B Schick, BM Baker, EN AF Card, GL Peterson, NA Smith, CA Rupp, B Schick, BM Baker, EN TI The crystal structure of Rv1347c, a putative antibiotic resistance protein from Mycobacterium tuberculosis, reveals a GCN5-related fold and suggests an alternative function in siderophore biosynthesis SO JOURNAL OF BIOLOGICAL CHEMISTRY LA English DT Article ID ELECTRON-DENSITY MAPS; SEROTONIN N-ACETYLTRANSFERASE; AMINOGLYCOSIDE 2'-N-ACETYLTRANSFERASE; CATALYTIC MECHANISM; ANGSTROM RESOLUTION; IRON ACQUISITION; COENZYME-A; GENES; ACETYLATION; SUPERFAMILY AB Mycobacterium tuberculosis, the cause of tuberculosis, is a devastating human pathogen. The emergence of multidrug resistance in recent years has prompted a search for new drug targets and for a better understanding of mechanisms of resistance. Here we focus on the gene product of an open reading frame from M. tuberculosis, Rv1347c, which is annotated as a putative aminoglycoside N-acetyltransferase. The Rv1347c protein does not show this activity, however, and we show from its crystal structure, coupled with functional and bioinformatic data, that its most likely role is in the biosynthesis of mycobactin, the M. tuberculosis siderophore. The crystal structure of Rv1347c was determined by multiwavelength anomalous diffraction phasing from selenomethionine-substituted protein and refined at 2.2 angstrom resolution (r = 0.227, R-free = 0.257). The protein is monomeric, with a fold that places it in the GCN5-related N-acetyltransferase ( GNAT) family of acyltransferases. Features of the structure are an acyl-CoA binding site that is shared with other GNAT family members and an adjacent hydrophobic channel leading to the surface that could accommodate long-chain acyl groups. Modeling the postulated substrate, the N-epsilon-hydroxylysine side chain of mycobactin, into the acceptor substrate binding groove identifies two residues at the active site, His(130) and Asp(168), that have putative roles in substrate binding and catalysis. C1 Univ Auckland, Sch Biol Sci, Auckland 1, New Zealand. Univ Auckland, Ctr Mol Biodiscovery, Auckland 1, New Zealand. Lawrence Livermore Natl Lab, Macromol Crystallog & Struct Genom Grp, Livermore, CA 94550 USA. RP Baker, EN (reprint author), Univ Auckland, Sch Biol Sci, Auckland 1, New Zealand. EM ted.baker@auckland.ac.nz FU NIGMS NIH HHS [P50 GM62410] NR 52 TC 29 Z9 34 U1 0 U2 6 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 8 PY 2005 VL 280 IS 14 BP 13978 EP 13986 DI 10.1074/jbc.M413904200 PG 9 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 912QW UT WOS:000228095500100 PM 15695811 ER PT J AU Dattelbaum, DM Jensen, JD Schwendt, AM Kober, EM Lewis, MW Menikoff, R AF Dattelbaum, DM Jensen, JD Schwendt, AM Kober, EM Lewis, MW Menikoff, R TI A novel method for static equation-of state-development: Equation of state of a cross-linked poly(dimethylsiloxane) (PDMS) network to 10 GPa SO JOURNAL OF CHEMICAL PHYSICS LA English DT Review ID PRESSURE-VOLUME-TEMPERATURE; HIGH MOLECULAR WEIGHT; STATISTICAL THERMODYNAMICS; POLYMER LIQUIDS; UNIVERSAL EQUATION; AMORPHOUS POLYMERS; RAMAN-SPECTROSCOPY; PARAMETERS; SOLIDS; PERMEATION AB Pressure-volume-temperature (PVT) equation-of-state (EOS) information for polymers and polymeric composites is valuable for predicting their response to extreme conditions. An obstacle in determining equations of state for polymeric materials is the lack of a simple, static experimental method for acquiring PVT data for solid networks and liquids at pressures greater than several kilobars. Here, we report a novel approach in determining static EOS for polymers using high-pressure diamond-anvil cells coupled with optical microscopy and image analysis. Results are presented for a cross-linked poly(dimethylsiloxane) polymer, Sylgard(R) 184. Static isothermal results were fitted to empirical and semiempirical equations of state, including the Tait, Birch-Murnaghan, and Vinet forms. Static PV data were also converted to pseudoshock velocity-pseudoparticle velocity (U-s-u(p)) for comparison to dynamic Hugoniot data. A linear Rankine-Hugoniot fit U-s=s(T)u(p)+c(T) gives c(T)=1.572 km/s and s(T)=1.703. s(T) is related to the pressure derivative of the bulk modulus B-0' by s(T)=(B-0'+1)/4 and B-0'=5.8. A comparison of the static and shock data is given, along with an estimate of the Gruneisen parameter, and a discussion of the free volume content in the polymer network, and limitations of this novel method. (C) 2005 American Institute of Physics. C1 Los Alamos Natl Lab, Dynam Expt Div, Los Alamos, NM 87545 USA. RP Dattelbaum, DM (reprint author), Los Alamos Natl Lab, Dynam Expt Div, Mailstop P952, Los Alamos, NM 87545 USA. EM danadat@lanl.gov NR 99 TC 22 Z9 22 U1 6 U2 29 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 2005 VL 122 IS 14 AR 144903 DI 10.1063/1.1879872 PG 12 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 918PB UT WOS:000228559000056 PM 15847561 ER PT J AU Iordanova, N Dupuis, M Rosso, KM AF Iordanova, N Dupuis, M Rosso, KM TI Charge transport in metal oxides: A theoretical study of hematite alpha-Fe2O3 SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID ELECTRON-TRANSFER; IRON-OXIDES; SMALL-POLARON; AB-INITIO; MOLECULES; TIO2(110); CHEMISTRY; MOBILITY; SURFACE; SYSTEM AB Transport of conduction electrons and holes through the lattice of alpha-Fe2O3 (hematite) is modeled as a valence alternation of iron cations using ab initio electronic structure calculations and electron transfer theory. Experimental studies have shown that the conductivity along the (001) basal plane is four orders of magnitude larger than the conductivity along the [001] direction. In the context of the small polaron model, a cluster approach was used to compute quantities controlling the mobility of localized electrons and holes, i.e., the reorganization energy and the electronic coupling matrix element that enter Marcus' theory. The calculation of the electronic coupling followed the generalized Mulliken-Hush approach using the complete active space self-consistent field method. Our findings demonstrate an approximately three orders of magnitude anisotropy in both electron and hole mobility between directions perpendicular and parallel to the c axis, in good accord with experimental data. The anisotropy arises from the slowness of both electron and hole mobilities across basal oxygen planes relative to that within iron bilayers between basal oxygen planes. Interestingly, for elementary reaction steps along either of the directions considered, there is only less than one order of magnitude difference in mobility between electrons and holes, in contrast to accepted classical arguments. Our findings indicate that the most important quantity underlying mobility differences is the electronic coupling, albeit the reorganization energy contributes as well. The large values computed for the electronic coupling suggest that charge transport reactions in hematite are adiabatic in nature. The electronic coupling is found to depend on both the superexchange interaction through the bridging oxygen atoms and the d-shell electron spin coupling within the Fe-Fe donor-acceptor pair, while the reorganization energy is essentially independent of the electron spin coupling. (C) 2005 American Institute of Physics. C1 Pacific NW Natl Lab, Div Chem Sci, Richland, WA 99352 USA. RP Iordanova, N (reprint author), Pacific NW Natl Lab, Div Chem Sci, Richland, WA 99352 USA. NR 51 TC 120 Z9 120 U1 9 U2 109 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 2005 VL 122 IS 14 AR 144305 DI 10.1063/1.1869492 PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 918PB UT WOS:000228559000015 PM 15847520 ER PT J AU Gritti, F Guiochon, G AF Gritti, F Guiochon, G TI Influence of the pressure on the properties of chromatographic columns - I. Measurement of the compressibility of methanol-water mixtures on a mesoporous silica adsorbent SO JOURNAL OF CHROMATOGRAPHY A LA English DT Article DE isothermal liquid compressibility; pressure; methanol-water mixture; silica column; resolve; adsorption; thiourea ID LIQUID-CHROMATOGRAPHY; DEAD-VOLUME; BAND PROFILES; WETTABILITY; PREDICTION; RETENTION; TIME AB The compressibilities of aqueous solutions of methanol or acetonitrile containing 0, 20, 40, 60, 80 and 100% (v/v) organic solvent were measured with a dynamic chromatographic method. The elution volumes of thiourea samples (2 mu L) in these solutions were measured at different average column pressures, adjusted by placing suitable capillary restrictors on-line, after the detector. The reproducibility of the measurements was better than 0.2%. In the range of average pressures studied (10-350 bar), the maximum change in elution volume of thiourea is 1.3% (in pure water) and 4.0% (in pure methanol). This difference is due to the different compressibilities of these pure solvents. For mixtures, the plots of the elution volume of thiourea versus the pressure are convex downward, which is inconsistent with the opposite curvature predicted by the classical Tait model of liquid compressibility. This difference is explained by the variation of the amount of thiourea adsorbed with the pressure. The deconvolution of the two effects, adsorption of thiourea and solvent compressibility, allows a fair and consistent determination of the compressibilities of the methanol-water mixtures. A column packed with non-porous silica particles was also used to determine the compressibility of methanol-water and acetonitrile-water mixtures. A negative deviation by respect to ideal behavior was observed. (c) 2005 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 21 TC 27 Z9 27 U1 1 U2 7 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 8 PY 2005 VL 1070 IS 1-2 BP 1 EP 12 DI 10.1016/j.chroma.2005.02.007 PG 12 WC Biochemical Research Methods; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA 915VK UT WOS:000228339200001 PM 15861782 ER PT J AU Gritti, F Martin, M Guiochon, G AF Gritti, F Martin, M Guiochon, G TI Influence of pressure on the properties of chromatographic columns - II. The column hold-up volume SO JOURNAL OF CHROMATOGRAPHY A LA English DT Article DE HPLC columns; permeability; column back-pressure; end-capping; resolve; Resolve-C-18; Symmetry-C-18; thiourea ID PHASE LIQUID-CHROMATOGRAPHY; FRONTAL ANALYSIS; RETENTION AB The effect of the local pressure and of the average column pressure on the hold-up column volume was investigated between I and 400 bar, from a theoretical and an experimental point of view. Calculations based upon the elasticity of the solids involved (column wall and packing material) and the compressibility of the liquid phase show that the increase of the column hold-up volume with increasing pressure that is observed is correlated with (in order of decreasing importance): (1) the compressibility of the mobile phase (+1 to 5%); (2) in RPLC, the compressibility of the C-18-bonded layer on the surface of the silica (+0.5 to 1%); and (3) the expansion of the column tube (< 0.001%). These predictions agree well with the results of experimental measurements that were performed on columns packed with the pure Resolve silica (0% carbon), the derivatized Resolve-C-18 (10% carbon) and the Symmetry-C-18 (20% carbon) adsorbents, using water, methanol, or n-pentane as the mobile phase. These solvents have different compressibilities. However, 1% of the relative increase of the column hold-up volume that was observed when the pressure was raised is not accounted for by the compressibilities of either the solvent or the C18-bonded phase. It is due to the influence of the pressure on the retention behavior of thiourea, the compound used as tracer to measure the hold-up volume. (c) 2005 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. Ecole Super Phys & Chim Ind Ville Paris, Lab Phys & Mecan Milieux Heterogenes, F-75005 Paris, France. RP Guiochon, G (reprint author), Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. EM guiochon@utk.edu NR 14 TC 27 Z9 27 U1 3 U2 11 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 8 PY 2005 VL 1070 IS 1-2 BP 13 EP 22 DI 10.1016/j.chroma.2005.02.008 PG 10 WC Biochemical Research Methods; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA 915VK UT WOS:000228339200002 PM 15861783 ER PT J AU Jarzynski, C AF Jarzynski, C TI Lag inequality for birth-death processes with time-dependent rates SO JOURNAL OF PHYSICS A-MATHEMATICAL AND GENERAL LA English DT Article ID STEADY-STATE THERMODYNAMICS; EQUALITY; SYSTEMS AB A fluctuation theorem has recently been derived for systems described by univariate birth-death equations or chemical master equations (Seifert U 2004 J. Phys. A: Math. Gen. 37 L517-2 1). We discuss an inequality that follows from this theorem. Focusing on the case of Poissonian stationary distributions, we show that this inequality can also be derived from a deterministic rate equation, in the limit of large system size. We relate these results to recent work on transitions between nonequilibrium stationary states. C1 Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Jarzynski, C (reprint author), Los Alamos Natl Lab, Div Theoret, T-13,MS B213, Los Alamos, NM 87545 USA. RI Jarzynski, Christopher/B-4490-2009 OI Jarzynski, Christopher/0000-0002-3464-2920 NR 10 TC 2 Z9 2 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0305-4470 J9 J PHYS A-MATH GEN JI J. Phys. A-Math. Gen. PD APR 8 PY 2005 VL 38 IS 14 BP L227 EP L233 DI 10.1088/0305-4470/38/14/L04 PG 7 WC Physics, Multidisciplinary; Physics, Mathematical SC Physics GA 921DG UT WOS:000228743800004 ER PT J AU Aubert, B Barate, R Boutigny, D Couderc, F Karyotakis, Y Lees, JP Poireau, V Tisserand, V Zghiche, A Grauges-Pous, E 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 Kukartsev, G Lynch, G Mir, LM Oddone, PJ Orimoto, TJ Pripstein, M Roe, NA Ronan, MT Wenzel, WA Barrett, M Ford, KE Harrison, TJ Hart, AJ Hawkes, CM Morgan, SE Watson, AT Fritsch, M Goetzen, K Held, T Koch, H Lewandowski, B Pelizaeus, M Peters, K Schroeder, T Steinke, M Boyd, JT Burke, JP Chevalier, N Cottingham, WN Kelly, MP Latham, TE Wilson, FF Cuhadar-Donszelmann, T Hearty, C Knecht, NS Mattison, TS McKenna, JA Thiessen, D Khan, A Kyberd, P Teodorescu, L Blinov, AE Blinov, VE Druzhinin, VP Golubev, VB Ivanchenko, VN Kravchenko, EA Onuchin, AP Serednyakov, SI Skovpen, YI Solodov, EP Yushkov, AN Best, D Bruinsma, M Chao, M Eschrich, I Kirkby, D Lankford, AJ Mandelkern, M Mommsen, RK Roethel, W Stoker, DP Buchanan, C Hartfiel, BL Weinstein, AJR Foulkes, SD Gary, JW Long, O Shen, BC Wang, K del Re, D Hadavand, HK Hill, EJ MacFarlane, DB Paar, HP Rahatlou, S Sharma, V Berryhill, JW Campagnari, C Cunha, A Dahmes, B Hong, TM Lu, A Mazur, MA Richman, JD Verkerke, W Beck, TW Eisner, AM Flacco, CJ Heusch, CA Kroseberg, J Lockman, WS Nesom, G Schalk, T Schumm, BA Seiden, A Spradlin, P Williams, DC Wilson, MG Albert, J Chen, E Dubois-Felsmann, GP Dvoretskii, A Hitlin, DG Narsky, I Piatenko, T Porter, FC Ryd, A Samuel, A Yang, S Jayatilleke, S Mancinelli, G Meadows, BT Sokoloff, MD Blanc, F Bloom, P Chen, S Ford, WT Nauenberg, U Olivas, A Rankin, P Ruddick, WO Smith, JG Ulmer, KA Zhang, J Zhang, L Chen, A Eckhart, EA Harton, JL Soffer, A Toki, WH Wilson, RJ Zeng, Q Spaan, B Altenburg, D Brandt, T Brose, J Dickopp, M Feltresi, E Hauke, A Lacker, HM Maly, E Nogowski, R Otto, S Petzold, A Schott, G Schubert, J Schubert, KR Schwierz, R Sundermann, JE Bernard, D Bonneaud, GR Grenier, P Schrenk, S Thiebaux, C Vasileiadis, G Verderi, M Bard, DJ Clark, PJ Muheim, F Playfer, S Xie, Y Andreotti, M Azzolini, V Bettoni, D Bozzi, C Calabrese, R Cibinetto, G Luppi, E Negrini, M Piemontese, L Sarti, A Anulli, F Baldini-Ferroli, R Calcaterra, A de Sangro, R Finocchiaro, G Patteri, P Peruzzi, IM Piccolo, 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 Brandenburg, G Chaisanguanthum, KS Morii, M Won, E Dubitzky, RS Langenegger, U Marks, J Uwer, U Bhimji, W Bowerman, DA Dauncey, PD Egede, U Gaillard, JR Morton, GW Nash, JA Nikolich, MB Taylor, GP Charles, MJ Grenier, GJ Mallik, U Mohapatra, AK Cochran, J Crawley, HB Lamsa, J Meyer, WT Prell, S Rosenberg, EI Rubin, AE Yi, J Arnaud, N Davier, M Giroux, X Grosdidier, G Hocker, A Le Diberder, F Lepeltier, V Lutz, AM Petersen, TC Pierini, M Plaszczynski, S Schune, MH Wormser, G Cheng, CH Lange, DJ Simani, MC Wright, DM Bevan, AJ Chavez, CA Coleman, JP Forster, IJ Fry, JR Gabathuler, E Gamet, R Hutchcroft, DE Parry, RJ Payne, DJ Touramanis, C Cormack, CM Di Lodovico, F Brown, CL Cowan, G Flack, RL Flaecher, HU Green, MG Jackson, PS McMahon, TR Ricciardi, S Salvatore, F Winter, MA Brown, D Davis, CL Allison, J Barlow, NR Barlow, RJ Hodgkinson, MC Lafferty, GD Naisbit, MT Williams, JC Chen, C Farbin, A Hulsbergen, WD Jawahery, A Kovalskyi, D Lae, CK Lillard, V Roberts, DA Blaylock, G Dallapiccola, C Hertzbach, SS Kofler, R Koptchev, VB Moore, TB Saremi, S Staengle, H Willocq, S Cowan, R Koeneke, K Sciolla, G Sekula, SJ Taylor, F Yamamoto, RK Patel, PM Robertson, SH Lazzaro, A Lombardo, V Palombo, F Bauer, JM Cremaldi, L Eschenburg, V Godang, R Kroeger, R Reidy, J Sanders, DA Summers, DJ Zhao, HW Brunet, S Cote, D Taras, P Nicholson, H Cavallo, N Fabozzi, F Gatto, C Lista, L Monorchio, D Paolucci, P Piccolo, D Sciacca, C Baak, M Bulten, H Raven, G Snoek, HL Wilden, L Jessop, CP LoSecco, JM Allmendinger, T Benelli, G Gan, KK Honscheid, K Hufnagel, D Kagan, H Kass, R Pulliam, T Rahimi, AM Ter-Antonyan, R Wong, QK Brau, J Frey, R Igonkina, O Lu, M 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 Voci, C Benayoun, M Briand, H Chauveau, J David, P Del Buono, L de la Vaissiere, C Hamon, O John, MJJ Leruste, P Malcles, J Ocariz, J Roos, L Therin, G Behera, PK Gladney, L Guo, QH Panetta, J Biasini, M Covarelli, R Pioppi, M Angelini, C Batignani, G Bettarini, S Bondioli, M Bucci, F Calderini, G Carpinelli, M Forti, F Giorgi, MA Lusiani, A Marchiori, G Morganti, M Neri, N Paoloni, E Rama, M Rizzo, G Simi, G Walsh, J Haire, M Judd, D Paick, K Wagoner, DE Danielson, N Elmer, P Lau, YP Lu, C Miftakov, V Olsen, J Smith, AJS Telnov, AV Bellini, F Cavoto, G D'Orazio, A Di Marco, E Faccini, R Ferrarotto, F Ferroni, F Gaspero, M Li Gioi, L Mazzoni, MA Morganti, S Piredda, G Polci, F Tehrani, FS Voena, C Christ, S Schroder, H Wagner, G Waldi, R Adye, T De Groot, N Franek, B Gopal, GP Olaiya, EO Aleksan, R Emery, S Gaidot, A Ganzhur, SF Giraud, PF Graziani, G de Monchenault, GH Kozanecki, W Legendre, M London, GW Mayer, B Vasseur, G Yeche, C Zito, M Purohit, MV Weidemann, AW Wilson, JR Yumiceva, FX Abe, T Aston, D Bartoldus, R Berger, N Boyarski, AM Buchmueller, OL Claus, R Convery, MR Cristinziani, M De Nardo, G Dingfelder, JC Dong, D Dorfan, J Dujmic, D Dunwoodie, W Fan, S Field, RC Glanzman, T Gowdy, SJ Hadig, T Halyo, V Hast, C Hryn'ova, T Innes, WR Kelsey, MH Kim, P Kocian, ML Leith, DWGS Libby, J Luitz, S Luth, V Lynch, HL Marsiske, H Messner, R Muller, DR O'Grady, CP Ozcan, VE Perazzo, A Perl, M Ratcliff, BN Roodman, A Salnikov, AA Schindler, RH Schwiening, J Snyder, A Soha, A Stelzer, J Strube, J Su, D Sullivan, MK Va'vra, J Wagner, SR Weaver, M Wisniewski, WJ Wittgen, M Wright, DH Yarritu, AK Young, CC Burchat, PR Edwards, AJ Majewski, SA Petersen, BA Roat, C Ahmed, M Ahmed, S Alam, MS Ernst, JA Saeed, MA Saleem, M Wappler, FR Bugg, W Krishnamurthy, M Spanier, SM Eckmann, R Kim, H Ritchie, JL Satpathy, A Schwitters, RF Izen, JM Kitayama, I Lou, XC Ye, S Bianchi, F Bona, M Gallo, F Gamba, D Bosisio, L Cartaro, C Cossutti, F Della Ricca, G Dittongo, S Grancagnolo, S Lanceri, L Poropat, P Vitale, L Vuagnin, G Martinez-Vidal, F Panvini, RS Banerjee, S Bhuyan, B Brown, CM Fortin, D Hamano, K Jackson, PD Kowalewski, R Roney, JM Sobie, RJ Back, JJ Harrison, PF Mohanty, GB Band, HR Chen, X Cheng, B Dasu, S Datta, M Eichenbaum, AM Flood, KT Graham, M Hollar, JJ Johnson, JR Kutter, PE Li, H Liu, R Mihalyi, A Pan, Y Prepost, R Tan, P von Wimmersperg-Toeller, JH Wu, J Wu, SL Yu, Z Greene, MG Neal, H AF Aubert, B Barate, R Boutigny, D Couderc, F Karyotakis, Y Lees, JP Poireau, V Tisserand, V Zghiche, A Grauges-Pous, E 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 Kukartsev, G Lynch, G Mir, LM Oddone, PJ Orimoto, TJ Pripstein, M Roe, NA Ronan, MT Wenzel, WA Barrett, M Ford, KE Harrison, TJ Hart, AJ Hawkes, CM Morgan, SE Watson, AT Fritsch, M Goetzen, K Held, T Koch, H Lewandowski, B Pelizaeus, M Peters, K Schroeder, T Steinke, M Boyd, JT Burke, JP Chevalier, N Cottingham, WN Kelly, MP Latham, TE Wilson, FF Cuhadar-Donszelmann, T Hearty, C Knecht, NS Mattison, TS McKenna, JA Thiessen, D Khan, A Kyberd, P Teodorescu, L Blinov, AE Blinov, VE Druzhinin, VP Golubev, VB Ivanchenko, VN Kravchenko, EA Onuchin, AP Serednyakov, SI Skovpen, YI Solodov, EP Yushkov, AN Best, D Bruinsma, M Chao, M Eschrich, I Kirkby, D Lankford, AJ Mandelkern, M Mommsen, RK Roethel, W Stoker, DP Buchanan, C Hartfiel, BL Weinstein, AJR Foulkes, SD Gary, JW Long, O Shen, BC Wang, K del Re, D Hadavand, HK Hill, EJ MacFarlane, DB Paar, HP Rahatlou, S Sharma, V Berryhill, JW Campagnari, C Cunha, A Dahmes, B Hong, TM Lu, A Mazur, MA Richman, JD Verkerke, W Beck, TW Eisner, AM Flacco, CJ Heusch, CA Kroseberg, J Lockman, WS Nesom, G Schalk, T Schumm, BA Seiden, A Spradlin, P Williams, DC Wilson, MG Albert, J Chen, E Dubois-Felsmann, GP Dvoretskii, A Hitlin, DG Narsky, I Piatenko, T Porter, FC Ryd, A Samuel, A Yang, S Jayatilleke, S Mancinelli, G Meadows, BT Sokoloff, MD Blanc, F Bloom, P Chen, S Ford, WT Nauenberg, U Olivas, A Rankin, P Ruddick, WO Smith, JG Ulmer, KA Zhang, J Zhang, L Chen, A Eckhart, EA Harton, JL Soffer, A Toki, WH Wilson, RJ Zeng, Q Spaan, B Altenburg, D Brandt, T Brose, J Dickopp, M Feltresi, E Hauke, A Lacker, HM Maly, E Nogowski, R Otto, S Petzold, A Schott, G Schubert, J Schubert, KR Schwierz, R Sundermann, JE Bernard, D Bonneaud, GR Grenier, P Schrenk, S Thiebaux, C Vasileiadis, G Verderi, M Bard, DJ Clark, PJ Muheim, F Playfer, S Xie, Y Andreotti, M Azzolini, V Bettoni, D Bozzi, C Calabrese, R Cibinetto, G Luppi, E Negrini, M Piemontese, L Sarti, A Anulli, F Baldini-Ferroli, R Calcaterra, A de Sangro, R Finocchiaro, G Patteri, P Peruzzi, IM Piccolo, 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 Brandenburg, G Chaisanguanthum, KS Morii, M Won, E Dubitzky, RS Langenegger, U Marks, J Uwer, U Bhimji, W Bowerman, DA Dauncey, PD Egede, U Gaillard, JR Morton, GW Nash, JA Nikolich, MB Taylor, GP Charles, MJ Grenier, GJ Mallik, U Mohapatra, AK Cochran, J Crawley, HB Lamsa, J Meyer, WT Prell, S Rosenberg, EI Rubin, AE Yi, J Arnaud, N Davier, M Giroux, X Grosdidier, G Hocker, A Le Diberder, F Lepeltier, V Lutz, AM Petersen, TC Pierini, M Plaszczynski, S Schune, MH Wormser, G Cheng, CH Lange, DJ Simani, MC Wright, DM Bevan, AJ Chavez, CA Coleman, JP Forster, IJ Fry, JR Gabathuler, E Gamet, R Hutchcroft, DE Parry, RJ Payne, DJ Touramanis, C Cormack, CM Di Lodovico, F Brown, CL Cowan, G Flack, RL Flaecher, HU Green, MG Jackson, PS McMahon, TR Ricciardi, S Salvatore, F Winter, MA Brown, D Davis, CL Allison, J Barlow, NR Barlow, RJ Hodgkinson, MC Lafferty, GD Naisbit, MT Williams, JC Chen, C Farbin, A Hulsbergen, WD Jawahery, A Kovalskyi, D Lae, CK Lillard, V Roberts, DA Blaylock, G Dallapiccola, C Hertzbach, SS Kofler, R Koptchev, VB Moore, TB Saremi, S Staengle, H Willocq, S Cowan, R Koeneke, K Sciolla, G Sekula, SJ Taylor, F Yamamoto, RK Patel, PM Robertson, SH Lazzaro, A Lombardo, V Palombo, F Bauer, JM Cremaldi, L Eschenburg, V Godang, R Kroeger, R Reidy, J Sanders, DA Summers, DJ Zhao, HW Brunet, S Cote, D Taras, P Nicholson, H Cavallo, N Fabozzi, F Gatto, C Lista, L Monorchio, D Paolucci, P Piccolo, D Sciacca, C Baak, M Bulten, H Raven, G Snoek, HL Wilden, L Jessop, CP LoSecco, JM Allmendinger, T Benelli, G Gan, KK Honscheid, K Hufnagel, D Kagan, H Kass, R Pulliam, T Rahimi, AM Ter-Antonyan, R Wong, QK Brau, J Frey, R Igonkina, O Lu, M 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 Voci, C Benayoun, M Briand, H Chauveau, J David, P Del Buono, L de la Vaissiere, C Hamon, O John, MJJ Leruste, P Malcles, J Ocariz, J Roos, L Therin, G Behera, PK Gladney, L Guo, QH Panetta, J Biasini, M Covarelli, R Pioppi, M Angelini, C Batignani, G Bettarini, S Bondioli, M Bucci, F Calderini, G Carpinelli, M Forti, F Giorgi, MA Lusiani, A Marchiori, G Morganti, M Neri, N Paoloni, E Rama, M Rizzo, G Simi, G Walsh, J Haire, M Judd, D Paick, K Wagoner, DE Danielson, N Elmer, P Lau, YP Lu, C Miftakov, V Olsen, J Smith, AJS Telnov, AV Bellini, F Cavoto, G D'Orazio, A Di Marco, E Faccini, R Ferrarotto, F Ferroni, F Gaspero, M Li Gioi, L Mazzoni, MA Morganti, S Piredda, G Polci, F Tehrani, FS Voena, C Christ, S Schroder, H Wagner, G Waldi, R Adye, T De Groot, N Franek, B Gopal, GP Olaiya, EO Aleksan, R Emery, S Gaidot, A Ganzhur, SF Giraud, PF Graziani, G de Monchenault, GH Kozanecki, W Legendre, M London, GW Mayer, B Vasseur, G Yeche, C Zito, M Purohit, MV Weidemann, AW Wilson, JR Yumiceva, FX Abe, T Aston, D Bartoldus, R Berger, N Boyarski, AM Buchmueller, OL Claus, R Convery, MR Cristinziani, M De Nardo, G Dingfelder, JC Dong, D Dorfan, J Dujmic, D Dunwoodie, W Fan, S Field, RC Glanzman, T Gowdy, SJ Hadig, T Halyo, V Hast, C Hryn'ova, T Innes, WR Kelsey, MH Kim, P Kocian, ML Leith, DWGS Libby, J Luitz, S Luth, V Lynch, HL Marsiske, H Messner, R Muller, DR O'Grady, CP Ozcan, VE Perazzo, A Perl, M Ratcliff, BN Roodman, A Salnikov, AA Schindler, RH Schwiening, J Snyder, A Soha, A Stelzer, J Strube, J Su, D Sullivan, MK Va'vra, J Wagner, SR Weaver, M Wisniewski, WJ Wittgen, M Wright, DH Yarritu, AK Young, CC Burchat, PR Edwards, AJ Majewski, SA Petersen, BA Roat, C Ahmed, M Ahmed, S Alam, MS Ernst, JA Saeed, MA Saleem, M Wappler, FR Bugg, W Krishnamurthy, M Spanier, SM Eckmann, R Kim, H Ritchie, JL Satpathy, A Schwitters, RF Izen, JM Kitayama, I Lou, XC Ye, S Bianchi, F Bona, M Gallo, F Gamba, D Bosisio, L Cartaro, C Cossutti, F Della Ricca, G Dittongo, S Grancagnolo, S Lanceri, L Poropat, P Vitale, L Vuagnin, G Martinez-Vidal, F Panvini, RS Banerjee, S Bhuyan, B Brown, CM Fortin, D Hamano, K Jackson, PD Kowalewski, R Roney, JM Sobie, RJ Back, JJ Harrison, PF Mohanty, GB Band, HR Chen, X Cheng, B Dasu, S Datta, M Eichenbaum, AM Flood, KT Graham, M Hollar, JJ Johnson, JR Kutter, PE Li, H Liu, R Mihalyi, A Pan, Y Prepost, R Tan, P von Wimmersperg-Toeller, JH Wu, J Wu, SL Yu, Z Greene, MG Neal, H CA BaBar Collaboration TI Limit on the B-0 ->rho(0)rho(0) branching fraction and implications for the Cabibbo-Kobayashi-Maskawa angle alpha SO PHYSICAL REVIEW LETTERS LA English DT Article ID DECAYS AB We search for the decay B-0 ->rho(0)rho(0) in a data sample of about 227x10(6) Upsilon(4S)-> B (B) over bar decays collected with the BABAR detector at the PEP-II asymmetric-energy e(+)e(-) collider at SLAC. We find no significant signal and set an upper limit of 1.1x10(-6) at 90% C.L. on the branching fraction. As a result, the uncertainty due to penguin contributions on the Cabibbo-Kobayashi-Maskawa unitarity angle alpha measured in B ->rho rho decays is decreased to 11 degrees at 68% C.L. C1 Lab Annecy Le Vieux Phys Particules, F-74941 Annecy Le Vieux, France. Univ Autonoma Barcelona, IFAE, E-08193 Barcelona, Spain. Univ Bari, Dipartimento Fis, I-70126 Bari, Italy. 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 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. Univ Dortmund, Inst Phys, D-44221 Dortmund, Germany. Tech Univ Dresden, Inst Kernund 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. Ist Nazl Fis Nucl, I-44100 Ferrara, Italy. Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. Univ Genoa, Dipartimento Fis, I-16146 Genoa, Italy. Ist Nazl Fis Nucl, I-16146 Genoa, Italy. Harvard Univ, Cambridge, MA 02138 USA. Heidelberg Univ, Inst Phys, D-69120 Heidelberg, Germany. Univ London Imperial Coll Sci Technol & Med, London SW7 2AZ, England. Univ Iowa, Iowa City, IA 52242 USA. Iowa State Univ Sci & Technol, Ames, IA 50011 USA. Lab Accelerateur Lineaire, F-91898 Orsay, France. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Univ Liverpool, Liverpool L69 72E, 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. 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. 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. Ohio State Univ, Columbus, OH 43210 USA. Univ Oregon, Eugene, OR 97403 USA. Univ Padua, Dipartimento Fis, I-35131 Padua, Italy. Ist Nazl Fis Nucl, I-35131 Padua, Italy. Univ Paris 06, F-75252 Paris, France. Univ Paris 07, Phys Theor & Hautes Energies Lab, F-75252 Paris, France. Univ Penn, Philadelphia, PA 19104 USA. Univ Perugia, Dipartimento Fis, I-06100 Perugia, Italy. Ist Nazl Fis Nucl, I-06100 Perugia, Italy. Univ Pisa, Dipartimento Fis, Scuola Normale Super Pisa, I-56127 Pisa, Italy. 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. Ist Nazl Fis Nucl, I-10125 Turin, Italy. Univ Trieste, Dipartimento Fis, I-34127 Trieste, Italy. Ist Nazl Fis Nucl, I-34127 Trieste, Italy. Univ Valencia, CSIC, IFIC, E-46071 Valencia, Spain. Vanderbilt Univ, Nashville, TN 37235 USA. Univ Victoria, Victoria, BC V8W 3P6, Canada. Univ Warwick, Dept Phys, Coventry CV4 7AL, W Midlands, England. Univ Wisconsin, Madison, WI 53706 USA. Yale Univ, New Haven, CT 06511 USA. Univ Basilicata, I-85100 Potenza, Italy. RP Lab Annecy Le Vieux Phys Particules, F-74941 Annecy Le Vieux, France. RI Rotondo, Marcello/I-6043-2012; Patrignani, Claudia/C-5223-2009; de Sangro, Riccardo/J-2901-2012; M, Saleem/B-9137-2013; 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; Roe, Natalie/A-8798-2012; Neri, Nicola/G-3991-2012; Forti, Francesco/H-3035-2011; Cavallo, Nicola/F-8913-2012; Saeed, Mohammad Alam/J-7455-2012; Negrini, Matteo/C-8906-2014; Monge, Maria Roberta/G-9127-2012; Luppi, Eleonora/A-4902-2015; Martinez Vidal, F*/L-7563-2014; Lo Vetere, Maurizio/J-5049-2012; Della Ricca, Giuseppe/B-6826-2013; Calcaterra, Alessandro/P-5260-2015; Frey, Raymond/E-2830-2016 OI Rotondo, Marcello/0000-0001-5704-6163; Patrignani, Claudia/0000-0002-5882-1747; de Sangro, Riccardo/0000-0002-3808-5455; 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; Saeed, Mohammad Alam/0000-0002-3529-9255; Negrini, Matteo/0000-0003-0101-6963; Monge, Maria Roberta/0000-0003-1633-3195; Luppi, Eleonora/0000-0002-1072-5633; Martinez Vidal, F*/0000-0001-6841-6035; Lo Vetere, Maurizio/0000-0002-6520-4480; Della Ricca, Giuseppe/0000-0003-2831-6982; Calcaterra, Alessandro/0000-0003-2670-4826; Frey, Raymond/0000-0003-0341-2636 NR 20 TC 23 Z9 24 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 8 PY 2005 VL 94 IS 13 AR 131801 DI 10.1103/PhysRevLett.94.131801 PG 7 WC Physics, Multidisciplinary SC Physics GA 915HN UT WOS:000228289000012 PM 15903984 ER PT J AU Ben-Naim, E Machta, J AF Ben-Naim, E Machta, J TI Stationary states and energy cascades in inelastic gases SO PHYSICAL REVIEW LETTERS LA English DT Article ID VELOCITY DISTRIBUTIONS; GRANULAR GAS; HYDRODYNAMICS; INSTABILITY; COLLAPSE; FLOWS AB We find a general class of nontrivial stationary states in inelastic gases where, due to dissipation, energy is transferred from large velocity scales to small velocity scales. These steady states exist for arbitrary collision rules and arbitrary dimension. Their signature is a stationary velocity distribution f(v) with an algebraic high-energy tail, f(v)similar to v(-sigma). The exponent sigma is obtained analytically and it varies continuously with the spatial dimension, the homogeneity index characterizing the collision rate, and the restitution coefficient. We observe these stationary states in numerical simulations in which energy is injected into the system by infrequently boosting particles to high velocities. We propose that these states may be realized experimentally in driven granular systems. C1 Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. Univ Massachusetts, Dept Phys, Amherst, MA 01003 USA. RP Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM ebn@lanl.gov; machta@physics.umass.edu RI Machta, Jonathan/A-9472-2009; Ben-Naim, Eli/C-7542-2009 OI Ben-Naim, Eli/0000-0002-2444-7304 NR 30 TC 25 Z9 26 U1 0 U2 2 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 8 PY 2005 VL 94 IS 13 AR 138001 DI 10.1103/PhysRevLett.94.138001 PG 4 WC Physics, Multidisciplinary SC Physics GA 915HN UT WOS:000228289000068 PM 15904040 ER PT J AU Das Sarma, S Lilly, MP Hwang, EH Pfeiffer, LN West, KW Reno, JL AF Das Sarma, S Lilly, MP Hwang, EH Pfeiffer, LN West, KW Reno, JL TI Two-dimensional metal-insulator transition as a percolation transition in a high-mobility electron system SO PHYSICAL REVIEW LETTERS LA English DT Article ID 2 DIMENSIONS; DENSITY; PHASE; COMPRESSIBILITY; SCATTERING; BEHAVIOR; SILICON; LAYERS; GAS; B=0 AB By carefully analyzing the low temperature density dependence of 2D conductivity in undoped high-mobility n-GaAs heterostructures, we conclude that the 2D metal-insulator transition in this 2D electron system is a density inhomogeneity driven percolation transition due to the breakdown of screening in the random charged impurity disorder background. In particular, our measured conductivity exponent of similar to 1.4 approaches the 2D percolation exponent value of 4/3 at low temperatures and our experimental data are inconsistent with there being a zero-temperature quantum critical point in our system. C1 Univ Maryland, Dept Phys, Condensed Matter Theory Ctr, College Pk, MD 20742 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. Lucent Technol, Bell Labs, Murray Hill, NJ 07974 USA. RP Univ Maryland, Dept Phys, Condensed Matter Theory Ctr, College Pk, MD 20742 USA. RI Hwang, Euyheon/A-6239-2013; Das Sarma, Sankar/B-2400-2009 OI Das Sarma, Sankar/0000-0002-0439-986X NR 33 TC 71 Z9 71 U1 2 U2 18 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 8 PY 2005 VL 94 IS 13 AR 136401 DI 10.1103/PhysRevLett.94.136401 PG 4 WC Physics, Multidisciplinary SC Physics GA 915HN UT WOS:000228289000035 PM 15904007 ER PT J AU Fukuto, M Yano, YF Pershan, PS AF Fukuto, M Yano, YF Pershan, PS TI Critical Casimir effect in three-dimensional Ising systems: Measurements on binary wetting films SO PHYSICAL REVIEW LETTERS LA English DT Article ID LIQUID MIXTURES; FORCES; ADSORPTION; SURFACE; HEAT AB The critical Casimir force (CF) is observed in thin wetting films of a binary liquid mixture close to the liquid/vapor coexistence. X-ray reflectivity shows thickness (L) enhancement near the bulk consolute point. The extracted Casimir amplitude Delta(+-)=3 +/- 1 agrees with the theoretical universal value for the antisymmetric 3D Ising films. The onset of CF in the one-phase region occurs at L/xi similar to 5 regardless of whether the bulk correlation length xi is varied with temperature or composition. The shape of the Casimir scaling function depends monotonically on the dimensionality. C1 Harvard Univ, Dept Phys, Cambridge, MA 02138 USA. Harvard Univ, Div Engn & Appl Sci, Cambridge, MA 02138 USA. RP Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. EM fukuto@bnl.gov NR 30 TC 104 Z9 104 U1 0 U2 23 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 8 PY 2005 VL 94 IS 13 AR 135702 DI 10.1103/PhysRevLett.94.135702 PG 4 WC Physics, Multidisciplinary SC Physics GA 915HN UT WOS:000228289000032 PM 15904004 ER PT J AU Grobis, M Khoo, KH Yamachika, R Lu, XH Nagaoka, K Louie, SG Crommie, MF Kato, H Shinohara, H AF Grobis, M Khoo, KH Yamachika, R Lu, XH Nagaoka, K Louie, SG Crommie, MF Kato, H Shinohara, H TI Spatially dependent inelastic tunneling in a single metallofullerene SO PHYSICAL REVIEW LETTERS LA English DT Article ID MOLECULE VIBRATIONAL SPECTROSCOPY; ENDOHEDRAL METALLOFULLERENES; MICROSCOPY; GD-AT-C-82; LA-AT-C-82; SYMMETRY; STATES AB We have measured the elastic and inelastic tunneling properties of isolated Gd@C-82 molecules on Ag(001) using cryogenic scanning tunneling spectroscopy. We find that the dominant inelastic channel is spatially well localized to a particular region of the molecule. Ab initio pseudopotential density-functional theory calculations indicate that this channel arises from a vibrational cage mode. We further show that the observed inelastic tunneling localization is explained by strong localization in the molecular electron-phonon coupling to this mode. C1 Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. Nagoya Univ, Dept Chem, Nagoya, Aichi 4648602, Japan. Nagoya Univ, Inst Adv Res, Nagoya, Aichi 4648602, Japan. RP Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. RI Lu, Xinghua/F-2655-2010; Khoo, Khoong Hong/G-3983-2012 OI Khoo, Khoong Hong/0000-0002-4628-1202 NR 27 TC 55 Z9 57 U1 1 U2 12 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 8 PY 2005 VL 94 IS 13 AR 136802 DI 10.1103/PhysRevLett.94.136802 PG 4 WC Physics, Multidisciplinary SC Physics GA 915HN UT WOS:000228289000045 PM 15904017 ER PT J AU Kimura, T Lawes, G Ramirez, AP AF Kimura, T Lawes, G Ramirez, AP TI Electric polarization rotation in a hexaferrite with long-wavelength magnetic structures SO PHYSICAL REVIEW LETTERS LA English DT Article ID (BA1-XSRX)2ZN2FE12O22; FERRITES; ERMN2O5; FIELDS AB We report on the control of electric polarization (P) by using magnetic fields (B) in a hexaferrite having magnetic order above room temperature (RT). The material investigated is hexagonal Ba0.5Sr1.5Zn2Fe12O22, which is a nonferroelectric helimagnetic insulator in the zero-field ground state. By applying B, the system undergoes successive metamagnetic transitions, and shows concomitant ferroelectric order in some of the B-induced phases with long-wavelength magnetic structures. The magnetoelectrically induced P can be rotated 360 degrees by external B. This opens up the potential for not only RT magnetoelectric devices but also devices based on the magnetically controlled electro-optical response. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Lucent Technol, Bell Labs, Murray Hill, NJ 07974 USA. RP Los Alamos Natl Lab, K764, Los Alamos, NM 87545 USA. NR 24 TC 222 Z9 226 U1 9 U2 68 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 8 PY 2005 VL 94 IS 13 AR 137201 DI 10.1103/PhysRevLett.94.137201 PG 4 WC Physics, Multidisciplinary SC Physics GA 915HN UT WOS:000228289000050 PM 15904022 ER PT J AU Lee, MK Segal, M Soos, ZG Shinar, J Baldo, MA AF Lee, MK Segal, M Soos, ZG Shinar, J Baldo, MA TI Yield of singlet excitons in organic light-emitting devices: A double modulation photoluminescence-detected magnetic resonance study SO PHYSICAL REVIEW LETTERS LA English DT Article ID PI-CONJUGATED POLYMERS; LONG-LIVED POLARONS; TRIPLET EXCITONS; DIODES AB Double-modulation (DM) photoluminescence (PL) detected magnetic resonance (PLDMR) measurements on poly(2-methoxy-5-(2(')-ethyl)-hexoxy-1,4-phenylene vinylene) are described. In these measurements, the laser excitation power is modulated at 1 < f(L)< 100 kHz, and the spin-1/2 PLDMR of the PL response at f(L) is monitored by microwave modulation at f(M)<< f(L). The frequency response of the DM-PLDMR is inconsistent with the assumption that the PLDMR is due to delayed PL from nongeminate polaron recombination, which is the basis for previous predictions of the singlet-exciton (SE)-to-triplet exciton (TE) ratio in organic light-emitting devices. Rather, the frequency response is consistent with the assumption that the PLDMR is due to variations in the rate of quenching of SEs by TEs and polarons. C1 Iowa State Univ, US DOE, Ames Lab, Ames, IA 50011 USA. Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. MIT, Dept Elect Engn & Comp Sci, Cambridge, MA 02139 USA. Princeton Univ, Dept Chem, Princeton, NJ 08544 USA. RP Iowa State Univ, US DOE, Ames Lab, Ames, IA 50011 USA. EM shinar@ameslab.gov; baldo@mit.edu NR 17 TC 40 Z9 40 U1 2 U2 14 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 8 PY 2005 VL 94 IS 13 AR 137403 DI 10.1103/PhysRevLett.94.137403 PG 4 WC Physics, Multidisciplinary SC Physics GA 915HN UT WOS:000228289000062 PM 15904034 ER PT J AU Mueller, P Wang, LB Drake, GWF Bailey, K Lu, ZT O'Connor, TP AF Mueller, P Wang, LB Drake, GWF Bailey, K Lu, ZT O'Connor, TP TI Fine structure of the 1s3p P-3(J) level in atomic He-4: Theory and experiment SO PHYSICAL REVIEW LETTERS LA English DT Article ID STRUCTURE SPLITTINGS; STRUCTURE INTERVAL; QED CORRECTIONS; HELIUM; STATE; SHIFT AB The fine structure intervals in helium have been the focus of many theoretical and experimental studies in recent years with most of them concentrating on the 1s2p P-3(J) levels. Here, we report on a theoretical calculation and an experimental determination of the 1s2p P-3(J) fine structure intervals. The values from the theoretical calculation are 8113.730(6) and 658.801(6) MHz for the nu(01) and nu(12) intervals, respectively. The laser spectroscopic measurement reported here yields 8113.714(28) and 658.810(18) MHz for these intervals and is in excellent agreement with the theoretical calculation. Both, however, disagree significantly with the previous most precise experimental results. C1 Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. Univ Illinois, Dept Phys, Urbana, IL 61801 USA. Univ Windsor, Dept Phys, Windsor, ON N9B 3P4, Canada. Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. Univ Chicago, Dept Phys, Chicago, IL 60637 USA. RP Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. EM pmueller@anl.gov; gdrake@uwindsor.ca RI Mueller, Peter/E-4408-2011 OI Mueller, Peter/0000-0002-8544-8191 NR 18 TC 12 Z9 12 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 8 PY 2005 VL 94 IS 13 AR 133001 DI 10.1103/PhysRevLett.94.133001 PG 4 WC Physics, Multidisciplinary SC Physics GA 915HN UT WOS:000228289000017 PM 15903989 ER PT J AU Nazikian, R Shinohara, K Kramer, GJ Valeo, E Hill, K Hahm, TS Rewoldt, G Ide, S Koide, Y Oyama, Y Shirai, H Tang, W AF Nazikian, R Shinohara, K Kramer, GJ Valeo, E Hill, K Hahm, TS Rewoldt, G Ide, S Koide, Y Oyama, Y Shirai, H Tang, W TI Measurement of turbulence decorrelation during transport barrier evolution in a high-temperature fusion plasma SO PHYSICAL REVIEW LETTERS LA English DT Article ID CORRELATION REFLECTOMETRY; MICROWAVE REFLECTOMETRY; MAGNETIC SHEAR; DISCHARGES; TOKAMAK; CONFINEMENT; CORE; CONFIGURATIONS; FLUCTUATIONS; SUPPRESSION AB A low power polychromatic beam of microwaves is used to diagnose the behavior of turbulent fluctuations in the core of the JT-60U tokamak during the evolution of the internal transport barrier. A continuous reduction in the size of turbulent structures is observed concomitant with the reduction of the density scale length during the evolution of the internal transport barrier. The density correlation length decreases to the order of the ion gyroradius, in contrast with the much longer scale lengths observed earlier in the discharge, while the density fluctuation level remain similar to the level before transport barrier formation. C1 Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. Japan Atom Energy Res Inst, Naka Fus Res Estab, Naka, Ibaraki 31101, Japan. RP Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. EM rnazikian@pppl.gov NR 20 TC 37 Z9 37 U1 1 U2 7 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 8 PY 2005 VL 94 IS 13 AR 135002 DI 10.1103/PhysRevLett.94.135002 PG 4 WC Physics, Multidisciplinary SC Physics GA 915HN UT WOS:000228289000028 PM 15904000 ER PT J AU Wu, YK Li, J Wu, J AF Wu, YK Li, J Wu, J TI Anomalous hollow electron beams in a storage ring SO PHYSICAL REVIEW LETTERS LA English DT Article AB This Letter reports the first observations of an anomalous hollow electron beam in the Duke storage ring. Created by exciting the single-bunch beam in a lattice with a negative chromaticity, the hollow beam consists of a solid core inside and a large ring outside. We report the detailed measurements of the hollow beam phenomenon, including its distinct image pattern, spectrum signature, and its evolution with time. By capturing the postinstability bursting beam, the hollow beam is a unique model system for studying the transverse instabilities, in particular, the interplay of the wakefield and the lattice nonlinearity. In addition, the hollow beam can be used as a powerful tool to study the linear and nonlinear particle dynamics in the storage ring. C1 Duke Univ, Dept Phys, Durham, NC 27708 USA. Stanford Univ, Stanford Linear Accelerator Ctr, Stanford, CA 94309 USA. RP Duke Univ, Dept Phys, Durham, NC 27708 USA. EM wu@fel.duke.edu NR 17 TC 39 Z9 43 U1 0 U2 1 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 8 PY 2005 VL 94 IS 13 AR 134802 DI 10.1103/PhysRevLett.94.134802 PG 4 WC Physics, Multidisciplinary SC Physics GA 915HN UT WOS:000228289000026 PM 15903998 ER PT J AU Hajduk, M Zijlstra, AA Herwig, F van Hoof, PAM Kerber, F Kimeswenger, S Pollacco, DL Evans, A Lopez, JA Bryce, M Eyres, SPS Matsuura, M AF Hajduk, M Zijlstra, AA Herwig, F van Hoof, PAM Kerber, F Kimeswenger, S Pollacco, DL Evans, A Lopez, JA Bryce, M Eyres, SPS Matsuura, M TI The real-time stellar evolution of Sakurai's object SO SCIENCE LA English DT Article ID FINAL HELIUM FLASH; V4334 SGR; STARS; EMISSION; SHELL AB After a hot white dwarf ceases its nuclear burning, its helium may briefly and explosively reignite. This causes the star to evolve back into a cool giant, whereupon it experiences renewed mass ejection before reheating. A reignition event of this kind was observed in 1996 in V4334 Sgr (Sakurai's object). Its temperature decrease was 100 times the predicted rate. To understand its unexpectedly fast evolution, we have developed a model in which convective mixing is strongly suppressed under the influence of flash burning. The model predicts equally rapid reheating of the star. Radio emission from freshly ionized matter now shows that this reheating has begun. Such events may be an important source of carbon and carbonaceous dust in the Galaxy. C1 Univ Manchester, Sch Phys & Astron, Manchester M60 1QD, Lancs, England. Ctr Astron UMK, PL-87100 Torun, Poland. Los Alamos Natl Lab, Theoret Astrophys Grp T6, Los Alamos, NM 87545 USA. Queens Univ Belfast, Dept Phys & Astron, APS Div, Belfast BT7 1NN, Antrim, North Ireland. Royal Observ Belgium, Brussels, Belgium. European So Observ, Space Telescope European Coordinating Facil, D-85748 Garching, Germany. Univ Innsbruck, Inst Astrophys, A-6020 Innsbruck, Austria. Univ Keele, Sch Chem & Phys, Dept Phys, Keele ST5 5BG, Staffs, England. Univ Nacl Autonoma Mexico, Inst Astron, Ensenada 22800, Baja California, Mexico. Univ Manchester, Sch Phys & Astron, Jodrell Bank Observ, Macclesfield SK11 9DL, Cheshire, England. Univ Cent Lancashire, Ctr Astrophys, Preston PR1 2HE, Lancs, England. RP Zijlstra, AA (reprint author), Univ Manchester, Sch Phys & Astron, POB 88, Manchester M60 1QD, Lancs, England. EM a.zijlstra@manchester.ac.uk RI Kimeswenger, of/K-7393-2013; Hajduk, Marcin/C-9693-2014 NR 28 TC 40 Z9 40 U1 3 U2 6 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 8 PY 2005 VL 308 IS 5719 BP 231 EP 233 DI 10.1126/science.1108953 PG 3 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 915BX UT WOS:000228273700046 PM 15821085 ER PT J AU Voss, LF Henson, BF Wilson, KR Robinson, JM AF Voss, LF Henson, BF Wilson, KR Robinson, JM TI Atmospheric impact of quasiliquid layers on ice surfaces SO GEOPHYSICAL RESEARCH LETTERS LA English DT Article ID X-RAY-SCATTERING; CHEMISTRY; MICROSCOPY AB We present a fully thermodynamically constrained model to calculate the thickness of the quasiliquid layer on ice surfaces and apply this model to atmospherically relevant situations to calculate the quasiliquid thickness and volume for ice aerosols and snow pack. These volumes are comparable to the liquid volumes present in a representative liquid-droplet cloud. The pure water calculations represent conservative lower bounds to the volume possible from more complex solutions. Incorporation of solution chemistry into the model demonstrates both the effect played by impurities when studying this phenomenon and how the formation of the quasiliquid layer concentrates impurities on the ice surface. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Voss, LF (reprint author), Ohio State Univ, Dept Chem, 100 W 18th Ave, Columbus, OH 43210 USA. EM henson@lanl.gov NR 20 TC 3 Z9 3 U1 0 U2 0 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 7 PY 2005 VL 32 IS 7 AR L07807 DI 10.1029/2004GL022010 PG 4 WC Geosciences, Multidisciplinary SC Geology GA 916HR UT WOS:000228376500002 ER PT J AU Katan, C Terenziani, F Mongin, O Werts, MHV Porres, L Pons, T Mertz, J Tretiak, S Blanchard-Desce, M AF Katan, C Terenziani, F Mongin, O Werts, MHV Porres, L Pons, T Mertz, J Tretiak, S Blanchard-Desce, M TI Effects of (multi)branching of dipolar chromophores on photophysical properties and two-photon absorption SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Review ID DENSITY-FUNCTIONAL THEORY; OPTICAL-DATA STORAGE; INTRAMOLECULAR CHARGE-TRANSFER; HYPER-RAYLEIGH SCATTERING; EXCITATION CROSS-SECTIONS; PHENYLACETYLENE DENDRIMERS; ORGANIC-MOLECULES; NONLINEAR OPTICS; SUBSTITUTED TRIPHENYLBENZENE; COOPERATIVE ENHANCEMENT AB To investigate the effect of branching on linear and nonlinear optical properties, a specific series of chromophores, epitome of (multi)branched dipoles, has been thoroughly explored by a combined theoretical and experimental approach. Excited-state structure calculations based on quantum-chemical techniques (time-dependent density functional theory) as well as a Frenkel exciton model nicely complement experimental photluminescence and one- and two-photon absorption findings and contribute to their interpretation. This allowed us to get a deep insight into the nature of fundamental excited-state dynamics and the nonlinear optical (NLO) response involved. Both experiment and theory reveal that a multidimensional intramolecular charge transfer takes place from the donating moiety to the periphery of the branched molecules upon excitation, while fluorescence stems from an excited state localized on one of the dipolar branches. Branching is also observed to lead to cooperative enhancement of two-photon absorption (TPA) while maintaining high fluorescence quantum yield, thanks to localization of the emitting state. The comparison between results obtained in the Frenkel exciton scheme and ab initio results suggests the coherent coupling between branches as one of the possible mechanisms for the observed enhancement. New strategies for the rational design of NLO molecular assemblies are thus inferred on the basis of the acquired insights. C1 Univ Rennes 1, CNRS UMR 6510, Inst Chim, F-35042 Rennes, France. Ecole Super Phys & Chim Ind Ville Paris, INSERM, EPI 00 02, CNRS,FRE 2500, F-75231 Paris, France. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Univ Rennes 1, CNRS UMR 6510, Inst Chim, Campus Sci Beaulieu,Bat 10A, F-35042 Rennes, France. EM serg@lanl.gov; mireille.blanchard-desce@univ-rennes1.fr RI Pons, Thomas/A-8667-2008; Tretiak, Sergei/B-5556-2009; Werts, Martinus/B-9066-2015; Terenziani, Francesca/K-2951-2015; KATAN, Claudine/I-9446-2012 OI Pons, Thomas/0000-0001-8800-4302; Tretiak, Sergei/0000-0001-5547-3647; Werts, Martinus/0000-0003-1965-8876; Terenziani, Francesca/0000-0001-5162-9210; KATAN, Claudine/0000-0002-2017-5823 NR 110 TC 242 Z9 244 U1 4 U2 66 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 7 PY 2005 VL 109 IS 13 BP 3024 EP 3037 DI 10.1021/jp044193e PG 14 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 912WP UT WOS:000228110900006 PM 16833626 ER PT J AU Manna, L Wang, LW Cingolani, R Alivisatos, AP AF Manna, L Wang, LW Cingolani, R Alivisatos, AP TI First-principles modeling of unpassivated and surfactant-passivated bulk facets of wurtzite CdSe: A model system for studying the anisotropic growth of CdSe nanocrystals SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID SHAPE-CONTROL; SEMICONDUCTOR NANOCRYSTALS; ELECTRONIC-STRUCTURE; CADMIUM SELENIDE; RECONSTRUCTION; EVOLUTION; MONODISPERSE; MECHANISMS; BINDING; CDTE AB Equilibrium geometries, surface energies, and surfactant binding energies are calculated for selected bulk facets of wurtzite CdSe with a first-principles approach. Passivation of the surface Cd atoms with alkyl phosphonic acids or amines lowers the surface energy of all facets, except for the polar 0001 facet. On the nonpolar facets, the most stable configuration corresponds to full coverage of surface Cd atoms with surfactants, while on the polar 0001 facet it corresponds only to a partial coverage. In addition, the passivated surface energies of the nonpolar facets are in general lower than the passivated polar 0001 facet. Therefore, the polar facets are less stable and less efficiently passivated than the nonpolar facets, and this can rationalize the observed anisotropic growth mechanism of wurtzite nanocrystals in the presence of suitable surfactants. C1 INFM, Natl Nanotechnol Lab, I-73100 Lecce, Italy. Univ Calif Berkeley, Lawrence Berkeley Lab, Computat Res Div, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. RP INFM, Natl Nanotechnol Lab, Via Arnesano Km 5, I-73100 Lecce, Italy. EM liberato.manna@unile.it; LWWang@lbl.gov RI Cingolani, Roberto/B-9191-2011; Manna, Liberato/G-2339-2010; Alivisatos , Paul /N-8863-2015 OI Manna, Liberato/0000-0003-4386-7985; Alivisatos , Paul /0000-0001-6895-9048 NR 43 TC 200 Z9 201 U1 6 U2 49 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 7 PY 2005 VL 109 IS 13 BP 6183 EP 6192 DI 10.1021/jp0445573 PG 10 WC Chemistry, Physical SC Chemistry GA 912WS UT WOS:000228111200024 PM 16851684 ER PT J AU Li, WJ Kavanagh, KL Matzke, CM Talin, AA Leonard, F Faleev, S Hsu, JWP AF Li, WJ Kavanagh, KL Matzke, CM Talin, AA Leonard, F Faleev, S Hsu, JWP TI Ballistic electron emission microscopy studies of Au/molecule/n-GaAs diodes SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID INTERFACE; MONOLAYERS; TRANSPORT; BARRIERS; CONTACTS; DEVICES; OXIDES; AU AB We present nanometer-scale resolution, ballistic electron emission microscopy (BEEM) studies of Au/octanedithiol/n-GaAs (001) diodes. The presence of the molecule dramatically increases the BEEM threshold voltage and displays an unusual transport signature as compared to reference Au/GaAs diodes. Furthermore, BEEM images indicate laterally inhomogeneous interfacial structure. We present calculations that address the role of the molecular layer at the interface. Our results indicate that spatially resolved measurements add new insight to studies using conventional spatial-averaging techniques. C1 Simon Fraser Univ, Dept Phys, Burnaby, BC V5A 1S6, Canada. Sandia Natl Labs, Livermore, CA 94551 USA. Sandia Natl Labs, Albuquerque, NM 87123 USA. RP Kavanagh, KL (reprint author), Simon Fraser Univ, Dept Phys, Burnaby, BC V5A 1S6, Canada. EM kavanagh@sfu.ca RI Kavanagh, Karen/J-6914-2012; OI Kavanagh, Karen/0000-0002-3059-7528 NR 26 TC 29 Z9 29 U1 1 U2 6 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 7 PY 2005 VL 109 IS 13 BP 6252 EP 6256 DI 10.1021/jp0501648 PG 5 WC Chemistry, Physical SC Chemistry GA 912WS UT WOS:000228111200033 PM 16851693 ER PT J AU Anders, A Fukuda, K Yushkov, GY AF Anders, A Fukuda, K Yushkov, GY TI Ion charge state fluctuations ion vacuum arcs SO JOURNAL OF PHYSICS D-APPLIED PHYSICS LA English DT Article ID MAGNETIC-FIELD; CATHODE SPOTS; BURNING VOLTAGE; PLASMA; DISTRIBUTIONS; TIME; BEAM; GAS; ENVIRONMENT; PARAMETERS AB Ion charge state distributions of cathodic vacuum arcs have been investigated using a modified time-of-flight (TOF) method. Experiments have been done in double gate and burst Gate mode, allowing us to study both systematic and stochastic changes of ion charge state distributions with a time resolution down to 100 ns. In the double gate method, two ion charge spectra are recorded with a well-defined time between measurements. The elements Mg Bi and Cu were selected for tests, representing metals of very different properties. For all elements it was found that large stochastic changes occur even at the limit of resolution. This is in agreement with fast changing arc properties observed elsewhere. Correlation of results for short times between measurements was found but it is argued that this is due to velocity mixing rather than due to cathode processes. The burst mode of TOF measurements revealed the systematic time evolution of ion charge states within a single arc discharge, as opposed to previous measurements that relied on data averaged over many pulses. The technique shows the decay of the mean ion charge state as well as the level of material-dependent fluctuations. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Nippon Sheet Glass Co Ltd, Tsukuba, Ibaraki 3002635, Japan. Russian Acad Sci, Inst High Current Elect, Tomsk 634055, Russia. RP Anders, A (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RI Anders, Andre/B-8580-2009; Yushkov, Georgy/O-8024-2015 OI Anders, Andre/0000-0002-5313-6505; Yushkov, Georgy/0000-0002-7615-6058 NR 38 TC 9 Z9 11 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0022-3727 EI 1361-6463 J9 J PHYS D APPL PHYS JI J. Phys. D-Appl. Phys. PD APR 7 PY 2005 VL 38 IS 7 BP 1021 EP 1028 DI 10.1088/0022-3727/38/7/009 PG 8 WC Physics, Applied SC Physics GA 920HL UT WOS:000228679900010 ER PT J AU Hillier, LW Graves, TA Fulton, RS Fulton, LA Pepin, KH Minx, P Wagner-McPherson, C Layman, D Wylie, K Sekhon, M Becker, MC Fewell, GA Delehaunty, KD Miner, TL Nash, WE Kremitzki, C Oddy, L Du, H Sun, H Bradshaw-Cordum, H Ali, J Carter, J Cordes, M Harris, A Isak, A van Brunt, A Nguyen, C Du, FY Courtney, L Kalicki, J Ozersky, P Abbott, S Armstrong, J Belter, EA Caruso, L Cedroni, M Cotton, M Davidson, T Desai, A Elliott, G Erb, T Fronick, C Gaige, T Haakenson, W Haglund, K Holmes, A Harkins, R Kim, K Kruchowski, SS Strong, CM Grewal, N Goyea, E Hou, S Levy, A Martinka, S Mead, K McLellan, MD Meyer, R Maher, JR Tomlinson, C Kohlberg, SD Kozlowicz-Reilly, A Shah, N Swearengen-Shahid, S Snider, J Strong, JT Thompson, J Yoakum, M Leonard, S Pearman, C Trani, L Radionenko, M Waligorski, JE Wang, CY Rock, SM Tin-Wollam, AM Maupin, R Latreille, P Wendl, MC Yang, SP Pohl, C Wallis, JW Spieth, J Bieri, TA Berkowicz, N Nelson, JO Osborne, J Ding, L Meyer, R Sabo, A Shotland, Y Sinha, P Wohldmann, PE Cook, LL Hickenbotham, MT Eldred, J Williams, D Jones, TA She, XW Ciccarelli, FD Izaurralde, E Taylor, J Schmutz, J Myers, RM Cox, DR Huang, XQ McPherson, JD Mardis, ER Clifton, SW Warren, WC Chinwalla, AT Eddy, SR Marra, MA Ovcharenko, I Furey, TS Miller, W Eichler, EE Bork, P Suyama, M Torrents, D Waterston, RH Wilson, RK AF Hillier, LW Graves, TA Fulton, RS Fulton, LA Pepin, KH Minx, P Wagner-McPherson, C Layman, D Wylie, K Sekhon, M Becker, MC Fewell, GA Delehaunty, KD Miner, TL Nash, WE Kremitzki, C Oddy, L Du, H Sun, H Bradshaw-Cordum, H Ali, J Carter, J Cordes, M Harris, A Isak, A van Brunt, A Nguyen, C Du, FY Courtney, L Kalicki, J Ozersky, P Abbott, S Armstrong, J Belter, EA Caruso, L Cedroni, M Cotton, M Davidson, T Desai, A Elliott, G Erb, T Fronick, C Gaige, T Haakenson, W Haglund, K Holmes, A Harkins, R Kim, K Kruchowski, SS Strong, CM Grewal, N Goyea, E Hou, S Levy, A Martinka, S Mead, K McLellan, MD Meyer, R Maher, JR Tomlinson, C Kohlberg, SD Kozlowicz-Reilly, A Shah, N Swearengen-Shahid, S Snider, J Strong, JT Thompson, J Yoakum, M Leonard, S Pearman, C Trani, L Radionenko, M Waligorski, JE Wang, CY Rock, SM Tin-Wollam, AM Maupin, R Latreille, P Wendl, MC Yang, SP Pohl, C Wallis, JW Spieth, J Bieri, TA Berkowicz, N Nelson, JO Osborne, J Ding, L Meyer, R Sabo, A Shotland, Y Sinha, P Wohldmann, PE Cook, LL Hickenbotham, MT Eldred, J Williams, D Jones, TA She, XW Ciccarelli, FD Izaurralde, E Taylor, J Schmutz, J Myers, RM Cox, DR Huang, XQ McPherson, JD Mardis, ER Clifton, SW Warren, WC Chinwalla, AT Eddy, SR Marra, MA Ovcharenko, I Furey, TS Miller, W Eichler, EE Bork, P Suyama, M Torrents, D Waterston, RH Wilson, RK TI Generation and annotation of the DNA sequences of human chromosomes 2 and 4 SO NATURE LA English DT Article ID HUMAN GENOME SEQUENCE; DRAFT SEQUENCE; CPG ISLANDS; GENE; MOUSE; MAP; INTEGRATION; EVOLUTION; INSIGHTS; RECOMBINATION AB Human chromosome 2 is unique to the human lineage in being the product of a head-to-head fusion of two intermediate-sized ancestral chromosomes. Chromosome 4 has received attention primarily related to the search for the Huntington's disease gene, but also for genes associated with Wolf-Hirschhorn syndrome, polycystic kidney disease and a form of muscular dystrophy. Here we present approximately 237 million base pairs of sequence for chromosome 2, and 186 million base pairs for chromosome 4, representing more than 99.6% of their euchromatic sequences. Our initial analyses have identified 1,346 protein-coding genes and 1,239 pseudogenes on chromosome 2, and 796 protein-coding genes and 778 pseudogenes on chromosome 4. Extensive analyses confirm the underlying construction of the sequence, and expand our understanding of the structure and evolution of mammalian chromosomes, including gene deserts, segmental duplications and highly variant regions. C1 Washington Univ, Sch Med, Genome Sequencing Ctr, St Louis, MO 63108 USA. Washington Univ, Sch Med, Howard Hughes Med Inst, St Louis, MO 63110 USA. Washington Univ, Sch Med, Dept Genet, St Louis, MO 63110 USA. Univ Washington, Sch Med, Seattle, WA 98195 USA. European Mol Biol Lab, D-69117 Heidelberg, Germany. Penn State Univ, Dept Biol, Ctr Comparat Genom & Bioinformat, University Pk, PA 16802 USA. Penn State Univ, Dept Comp Sci, University Pk, PA 16802 USA. Stanford Univ, Sch Med, Dept Genet, Stanford Human Genome Ctr, Stanford, CA 94305 USA. Iowa State Univ, Dept Comp Sci, Ames, IA 50011 USA. Lawrence Livermore Natl Lab, EEBI Div, Livermore, CA 94550 USA. Lawrence Livermore Natl Lab, Genome Biol Div, Livermore, CA 94550 USA. Univ Calif Santa Cruz, Ctr Biomol Sci & Engn, Santa Cruz, CA 95064 USA. RP Wilson, RK (reprint author), Washington Univ, Sch Med, Genome Sequencing Ctr, Campus Box 8501,4444 Forest Pk Ave, St Louis, MO 63108 USA. EM rwilson@watson.wustl.edu RI Wendl, Michael/A-2741-2008; Izaurralde, Elisa/G-3239-2012; Taylor, James/F-1026-2011; Bork, Peer/F-1813-2013; Tang, Macy/B-9798-2014; Marra, Marco/B-5987-2008; Torrents, David/G-5785-2015 OI Izaurralde, Elisa/0000-0001-7365-2649; Eddy, Sean/0000-0001-6676-4706; Taylor, James/0000-0001-5079-840X; Bork, Peer/0000-0002-2627-833X; Furey, Terry/0000-0001-5546-9672; Ciccarelli, Francesca/0000-0002-9325-0900; Torrents, David/0000-0002-6086-9037 NR 50 TC 45 Z9 1508 U1 1 U2 36 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 7 PY 2005 VL 434 IS 7034 BP 724 EP 731 DI 10.1038/nature03466 PG 8 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 913NU UT WOS:000228160700031 PM 15815621 ER PT J AU Li, XL Baker, DN Temerin, M Reeves, G Friedel, R Shen, C AF Li, XL Baker, DN Temerin, M Reeves, G Friedel, R Shen, C TI Energetic electrons, 50 keV to 6 MeV, at geosynchronous orbit: Their responses to solar wind variations SO SPACE WEATHER-THE INTERNATIONAL JOURNAL OF RESEARCH AND APPLICATIONS LA English DT Article ID RADIATION BELT ELECTRONS; RELATIVISTIC ELECTRONS; EARTHS MAGNETOSPHERE; GEOMAGNETIC STORMS; WAVE POWER; ACCELERATION; PREDICTION; DIFFUSION; DEPENDENCE; DYNAMICS AB [1] Using simultaneous measurements of the upstream solar wind and of energetic electrons at geosynchronous orbit, we analyze the response of electrons over a wide energy range, 50 keV to 6 MeV, to solar wind variations. Enhancements of energetic electron fluxes over this whole energy range are modulated by the solar wind speed and the polarity of the interplanetary magnetic field ( IMF). The solar wind speed seems to be a dominant controlling parameter for electrons of all energy. Electron enhancements occur after solar wind speed enhancements with a time delay that increases with energy and that also depends on the average polarity of the IMF. The electron enhancements have a shorter delay if the IMF B-z < 0 and a longer delay if the IMF B-z > 0 during the solar wind speed enhancement. The dependence on solar wind condition varies for different energy electrons, with lower-energy electrons (< 200 keV) responding more to the polarity of the IMF and higher energy electrons (> 1 MeV) responding more to the solar wind speed. The variations of different energy electrons are well correlated among themselves. For five years, 1995-1999, the correlation coefficients of 1.1-1.5 MeV electrons with lower-energy electrons, 50-75, 105-150, 225-315, and 500-750 keV, are 0.55, 0.64, 0.74, and 0.90. This correlation is enhanced if a time shift proportional to their energy difference is included. The optimal time shifts and the corresponding correlation coefficients for the four lower energy electrons are 36, 32, 13, and 7 hours and 0.75, 0.77, 0.81, and 0.92, respectively. C1 Univ Colorado, Atmospher & Space Phys Lab, Boulder, CO 80303 USA. Chinese Acad Sci, Lab Space Weather, Beijing 100080, Peoples R China. Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Li, XL (reprint author), Univ Colorado, Atmospher & Space Phys Lab, 1234 Innovat Dr, Boulder, CO 80303 USA. EM lix@lasp.colorado.edu RI Friedel, Reiner/D-1410-2012; Reeves, Geoffrey/E-8101-2011 OI Friedel, Reiner/0000-0002-5228-0281; Reeves, Geoffrey/0000-0002-7985-8098 NR 34 TC 65 Z9 68 U1 0 U2 3 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 1542-7390 J9 SPACE WEATHER JI Space Weather PD APR 7 PY 2005 VL 3 IS 4 AR S04001 DI 10.1029/2004SW000105 PG 10 WC Astronomy & Astrophysics; Geochemistry & Geophysics; Meteorology & Atmospheric Sciences SC Astronomy & Astrophysics; Geochemistry & Geophysics; Meteorology & Atmospheric Sciences GA 927RQ UT WOS:000229218600001 ER PT J AU Ozolins, V Sadigh, B Asta, M AF Ozolins, V Sadigh, B Asta, M TI Effects of vibrational entropy on the Al-Si phase diagram SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Article ID GENERALIZED GRADIENT APPROXIMATION; TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; AB-INITIO; DISORDERED NI3AL; 1ST-PRINCIPLES COMPUTATION; PHONON DISPERSIONS; ALUMINUM-SILICON; SOLID-SOLUTION; PSEUDOPOTENTIALS AB An Al-Si solid-state phase diagram is studied using first-principles electronic structure calculations of formation enthalpies and quasiharmonic vibrational free energies. The harmonic vibrational entropy of formation of a Si impurity in fcc Al is predicted to be Delta S-vib = +2.6 k(B) per Si atom, resulting in more than a ten-fold increase in the calculated solubility. Thermal expansion is found to further increase the maximum solubility at T = 850 K by approximately 55%. Surprisingly, when vibrational effects are included, the widely used local-density approximation (LDA) performs poorly in reproducing the experimental solvus boundary, which is overestimated by a factor of ten. This failure is attributed to the neglect of corrections to the calculated LDA impurity enthalpy Delta H stemming from the inhomogeneity of the electronic charge density. These corrections tend to favour the four-fold coordinated diamond structure over the twelve-fold coordinated fcc solid-solution phase. The generalized-gradient approximation (GGA) is found to remove most of the discrepancy between the experimental and calculated Delta H, giving a good agreement with the experimental Al-Si phase diagram. C1 Univ Calif Los Angeles, Dept Mat Sci & Engn, Los Angeles, CA 90095 USA. Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA. RP Ozolins, V (reprint author), Univ Calif Los Angeles, Dept Mat Sci & Engn, Los Angeles, CA 90095 USA. EM vidvuds@ucla.edu RI Ozolins, Vidvuds/D-4578-2009 NR 66 TC 28 Z9 28 U1 2 U2 20 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-8984 J9 J PHYS-CONDENS MAT JI J. Phys.-Condes. Matter PD APR 6 PY 2005 VL 17 IS 13 BP 2197 EP 2210 DI 10.1088/0953-8984/17/13/017 PG 14 WC Physics, Condensed Matter SC Physics GA 918WW UT WOS:000228579400019 ER PT J AU Lazarovits, B Ujfalussy, B Szunyogh, L Gyorffy, BL Weinberger, P AF Lazarovits, B Ujfalussy, B Szunyogh, L Gyorffy, BL Weinberger, P TI Magnetic properties of quantum corrals from first-principles calculations SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Article ID SCANNING TUNNELING SPECTROSCOPY; SCATTERING-THEORY; ELECTRONIC-STRUCTURE; SURFACE-STATES; MIRAGES; WAVES AB We present calculations for the electronic and magnetic properties of surface states confined by a circular quantum corral built of magnetic adatoms (Fe) on a Cu(111) surface. We show the oscillations of charge and magnetization densities within the corral and the possibility of the appearance of spin-polarized states. In order to classify the peaks in the calculated density of states with orbital quantum numbers we analysed the problem in terms of a simple quantum mechanical circular well model. This model is also used to estimate the behaviour of the magnetization and energy with respect to the radius of the circular corral. The first-principles calculations are performed fully relativistically using the embedding technique within the Korringa-Kohn-Rostoker method. C1 Tech Univ Vienna, Ctr Computat Mat Sci, A-1060 Vienna, Austria. Oak Ridge Natl Lab, Div Met & Ceram, Oak Ridge, TN 37831 USA. Tech Univ Budapest, Dept Theoret Phys, H-1111 Budapest, Hungary. Tech Univ Budapest, Ctr Appl Math & Computat Phys, H-1111 Budapest, Hungary. Univ Bristol, HH Wills Phys Lab, Bristol BS8 1TL, Avon, England. RP Lazarovits, B (reprint author), Tech Univ Vienna, Ctr Computat Mat Sci, Gumpendorferstr 1A, A-1060 Vienna, Austria. EM bl@cms.tuwien.ac.at RI Szunyogh, Laszlo/A-7956-2010; Ujfalussy, Balazs/A-8155-2013 OI Ujfalussy, Balazs/0000-0003-3338-4699 NR 33 TC 4 Z9 4 U1 0 U2 7 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 6 PY 2005 VL 17 IS 13 BP S1037 EP S1048 DI 10.1088/0953-8984/17/13/002 PG 12 WC Physics, Condensed Matter SC Physics GA 918WW UT WOS:000228579400002 ER PT J AU Stubbs, JM Siepmann, JI AF Stubbs, JM Siepmann, JI TI Elucidating the vibrational spectra of hydrogen-bonded aggregates in solution: Electronic structure calculations with implicit solvent and first-principles molecular dynamics - Simulations with explicit solvent for 1-hexanol in n-hexane SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID DENSITY-FUNCTIONAL THEORY; UNITED-ATOM DESCRIPTION; BIAS MONTE-CARLO; TRANSFERABLE POTENTIALS; METHANOL CLUSTERS; PHASE-EQUILIBRIA; AB-INITIO; HARTREE-FOCK; BASIS-SET; ALKANES AB Fourier transform infrared spectroscopy is a popular method for the experimental investigation of hydrogen-bonded aggregates, but linking spectral information to microscopic information on aggregate size distribution and aggregate architecture is an arduous task. Static electronic structure calculations with an implicit solvent model, Car-Parrinello molecular dynamics (CPMD) using the Becke-Lee-Yang-Parr (BLYP) exchange and correlation energy functionals and classical molecular dynamics simulations for the all-atom version of the optimized parameters for liquid simulations (OPLS-AA) force field were carried out for an ensemble of 1-hexanol aggregates solvated in n-hexane. The initial configurations for these calculations were size-selected from a distribution of aggregates obtained from a large-scale Monte Carlo simulation. The vibrational spectra computed from the static electronic structure calculations for monomers and dinners and from the CPMD simulations for aggregates up to pentamers demonstrate the extent of the contribution of dangling or nondonating hydroxyl groups found in linear and branched aggregates to the "monomeric" peak. Furthermore, the computed spectra show that there is no simple relationship between peak shift and aggregate size nor architecture, but the effect of hydrogen-bond cooperativity is shown to differentiate polymer-like (cooperative) and dinner-like (noncooperative) hydrogen bonds in the vibrational spectrum. In contrast to the static electronic structure calculations and the CPMD simulations, the classical molecular dynamics simulations greatly underestimate the vibrational peak shift due to hydrogen bonding. C1 Univ Minnesota, Dept Chem, Minneapolis, MN 55455 USA. Univ Minnesota, Dept Chem Engn & Mat Sci, Minneapolis, MN 55455 USA. Lawrence Livermore Natl Lab, Chem & Mat Sci Directorate, Livermore, CA 94550 USA. RP Siepmann, JI (reprint author), Univ Minnesota, Dept Chem, 207 Pleasant St SE, Minneapolis, MN 55455 USA. EM siepmann@chem.umn.edu OI Stubbs, John/0000-0002-0218-3504 NR 43 TC 35 Z9 35 U1 1 U2 13 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 6 PY 2005 VL 127 IS 13 BP 4722 EP 4729 DI 10.1021/ja044380q PG 8 WC Chemistry, Multidisciplinary SC Chemistry GA 912OR UT WOS:000228089300042 PM 15796539 ER PT J AU Coe, BJ Harris, JA Jones, LA Brunschwig, BS Song, K Clays, K Garin, J Orduna, J Coles, SJ Hursthouse, MB AF Coe, BJ Harris, JA Jones, LA Brunschwig, BS Song, K Clays, K Garin, J Orduna, J Coles, SJ Hursthouse, MB TI Syntheses and properties of two-dimensional charged nonlinear optical chromophores incorporating redox-switchable cis-tetraammineruthenium(II) centers SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Review ID HYPER-RAYLEIGH-SCATTERING; EFFECTIVE CORE POTENTIALS; SCHIFF-BASE COMPLEXES; METAL-TO-LIGAND; MOLECULAR QUADRATIC HYPERPOLARIZABILITIES; 2ND-ORDER POLARIZABILITY TENSOR; RUTHENIUM(II) AMMINE COMPLEXES; STARK SPECTROSCOPY; ORGANOMETALLIC COMPLEXES; CRYSTAL-STRUCTURE AB In this article, we describe a series of new complex salts in which electron-donating -cis{Ru(parallel to){NH(3))(4)}(2+) centers are connected to two electron-accepting N-methyl/aryl-pyridinium groups. These V-shaped complexes contain either monodentate 4,4'-bipyridyl-derived ligands or related chelates based on 2,2':4,4":4',4"'-quaterpyridyl and have been characterized by using various techniques including electronic absorption spectroscopy and cyclic voltammetry. Molecular quadratic nonlinear optical (NLO) responses Pi have been determined by using hyper-Rayleigh scattering at 800 nm and also via Stark (electroabsorption) spectroscopic studies on the intense, visible d -> pi* metal-to-ligand charge-transfer bands. These experiments reveal that these dipolar pseudo-C(2v) chromophores exhibit two substantial components of the beta tensor; beta(zzz) and beta(zyy), with the difference between them being most marked for the nonchelated systems. Time-dependent density-functional theory and finite field calculations serve to further illuminate the electronic structures and associated linear and NLO properties of the new chromophoric salts. C1 Univ Manchester, Sch Chem, Manchester M13 9PL, Lancs, England. Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. Katholieke Univ Leuven, Lab Chem & Biol Dynam, Ctr Res Mol Elect & Photon, B-3001 Heverlee, Belgium. Univ Zaragoza, Dept Quim Organ, ICMA, CSIC, E-50009 Zaragoza, Spain. Univ Southampton, Sch Chem, EPSRC, Natl Crystallog Serv, Southampton SO17 1BJ, Hants, England. RP Coe, BJ (reprint author), Univ Manchester, Sch Chem, Manchester M13 9PL, Lancs, England. EM b.coe@man.ac.uk RI Coles, Simon/A-1795-2009; Hursthouse, Michael/B-9885-2011; Brunschwig, Bruce/G-4249-2011; Orduna, Jesus/K-3619-2014; OI Coles, Simon/0000-0001-8414-9272; Hursthouse, Michael/0000-0002-9492-054X; Orduna, Jesus/0000-0003-3514-2570; Garin Tercero, Vicente Javier/0000-0001-8265-8970 NR 102 TC 124 Z9 130 U1 3 U2 35 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 6 PY 2005 VL 127 IS 13 BP 4845 EP 4859 DI 10.1021/ja0424124 PG 15 WC Chemistry, Multidisciplinary SC Chemistry GA 912OR UT WOS:000228089300052 PM 15796549 ER PT J AU Paulson, BP Miller, JR Gan, WX Closs, G AF Paulson, BP Miller, JR Gan, WX Closs, G TI Superexchange and sequential mechanisms in charge transfer with a mediating state between the donor and acceptor SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID ELECTRON-TRANSFER REACTIONS; PHOTOSYNTHETIC REACTION-CENTER; SOLVENT REORGANIZATION ENERGY; LONG-RANGE; PHOTOINDUCED ELECTRON; DISTANCE DEPENDENCE; RADICAL-ANIONS; MOLECULAR WIRE; MIDWAY MOLECULE; CHEMICAL APPROACH AB The rate of intramolecular charge transfer from biphenyl to naphthalene was determined for the radical anions and radical cations of molecules with the general structure: (2-naphthyl)-(steroid spacer)(4-biphenylyl). Varied degrees of unsaturation (one double bond, NSenB; two double bonds, NSen(2)B; and the b-ring completely aromatized, NSarB) were incorporated into the steroid spacer to examine the effect it would have on the charge transfer rate. The charge transfer rate, as inferred from the decay of the biphenyl radical ion absorption, increased in all cases relative to the completely saturated 3-(2-naphthyl)-16-(4-biphenylyl)-5 alpha-androstane (NSB) reference molecule. For the anion charge transfer, the decay rates increased by factors of 1.4, 4.2, and 5.1, respectively, and for the cation, the decay rates increased by factors of 5, 276, and 470. To explain the results, the charge-transfer process was viewed as a combination of two independent mechanisms: a single-step, superexchange mechanism, and a two-step, sequential charge transfer. Using a low level of theory, simple models of the superexchange and two-step mechanisms were developed to elucidate the nature and differences between the two mechanisms. The critical variable for this analysis is the free energy of formation (Delta G(I)degrees) of the intermediate state: (2-naphthyl)-[spacer](1 +/-) - (4-biphenylyl). The conclusion from this treatment is that superexchange is the dominant mechanism when Delta G(I)degrees is large, but at small Delta G(I)degrees the sequential mechanism will dominate. This is because the superexchange rate is shown to have a weak dependence on Delta G(I)degrees changing 10-fold for a change in Delta G(I)degrees of 2 eV, compared to the sequential mechanism in which the rate can change over 10(3) for 0.5 V. C1 Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. Univ Chicago, Dept Chem, Chicago, IL 60637 USA. Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Miller, JR (reprint author), Argonne Natl Lab, Div Chem, 9700 S Cass Ave, Argonne, IL 60439 USA. EM jrmiller@bnl.gov NR 87 TC 51 Z9 51 U1 3 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 6 PY 2005 VL 127 IS 13 BP 4860 EP 4868 DI 10.1021/ja044946a PG 9 WC Chemistry, Multidisciplinary SC Chemistry GA 912OR UT WOS:000228089300053 PM 15796550 ER PT J AU Noy, A Perez, A Marquez, M Luque, FJ Orozco, M AF Noy, A Perez, A Marquez, M Luque, FJ Orozco, M TI Structure, recognition properties, and flexibility of the DNA-RNA hybrid SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID MOLECULAR-DYNAMICS SIMULATIONS; DOUBLE-STRANDED DNA; CHIRAL PHOSPHOROTHIOATE MOIETY; TYPE-1 REVERSE-TRANSCRIPTASE; PYRIMIDINE-RICH STRANDS; CENTER-DOT; CRYSTAL-STRUCTURE; NUCLEIC-ACIDS; ESCHERICHIA-COLI; RNA/DNA HYBRID AB Molecular dynamics is used to investigate the properties of the DNA-RNA hybrid in aqueous solution at room temperature. The structure of the hybrid is intermediate between A and B forms but, in general, closer to the canonical A-type helix. All the riboses exhibit North puckerings, while 2'-deoxyriboses exist in North, East, and South puckerings, the latter being the most populated one. The molecular recognition pattern of the DNA-RNA hybrid is a unique combination of those of normal DNA and RNA duplexes. Finally, the results obtained from essential dynamics and stiffness analysis demonstrate the large and very asymmetric flexibility of the hybrid and the strong predilection that each strand (DNA or RNA) has on the nature of their intrinsic motions in the corresponding homoduplexes. The implications of the unique structural and dynamic properties of the DNA-RNA hybrid on the mechanism of cleavage by RNase H are discussed. C1 Mol Modeling & Bioinformat Unit, Barcelona 08028, Spain. Univ Barcelona, Dept Bioquim & Biol Mol, Fac Quim, Barcelona 08028, Spain. Univ Barcelona, Dept Farm, Unitat Fisicoquim, Fac Farm, Barcelona 08028, Spain. Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. RP Luque, FJ (reprint author), Mol Modeling & Bioinformat Unit, Parc Cientif Barcelona,Josep Samitier 1-5, Barcelona 08028, Spain. EM javier@farl.far.ub.es; modesto@mmb.pcb.ub.es RI perez, alberto/C-5699-2008; Noy, Agnes/D-8555-2011; Luque, F. Javier/L-9652-2014; Perez, Alberto/R-2599-2016; OI perez, alberto/0000-0002-5054-5338; Noy, Agnes/0000-0003-0673-8949; Luque, F. Javier/0000-0002-8049-3567; Perez, Alberto/0000-0002-5054-5338; Orozco Lopez, Modesto/0000-0002-8608-3278 NR 86 TC 40 Z9 41 U1 3 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 6 PY 2005 VL 127 IS 13 BP 4910 EP 4920 DI 10.1021/ja043293v PG 11 WC Chemistry, Multidisciplinary SC Chemistry GA 912OR UT WOS:000228089300059 PM 15796556 ER PT J AU Lo, CT Seifert, S Thiyagarajan, P Narasimhan, B AF Lo, CT Seifert, S Thiyagarajan, P Narasimhan, B TI Effect of polydispersity on the phase behavior of polymer blends SO MACROMOLECULAR RAPID COMMUNICATIONS LA English DT Article DE blends; phase behavior; polydispersity; polyolefins; small-angle X-ray scattering (SAXS) ID X-RAY-SCATTERING; MULTICOMPONENT POLYOLEFIN BLENDS; THERMODYNAMIC INTERACTIONS; DISORDERED STATE; COPOLYMERS; SYSTEMS; MIXTURES; ISOTOPE AB blends; phase behavior; polydispersity; polyolefins; small-angle X-ray scattering (SAXS). C1 Iowa State Univ, Dept Chem Engn, Ames, IA 50011 USA. Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. RP Narasimhan, B (reprint author), Iowa State Univ, Dept Chem Engn, 2035 Sweeney Hall, Ames, IA 50011 USA. EM nbalaji@iastate.edu RI Narasimhan, Balaji/A-5487-2008 OI Narasimhan, Balaji/0000-0002-7955-5353 NR 32 TC 3 Z9 4 U1 0 U2 4 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 2005 VL 26 IS 7 BP 533 EP 536 DI 10.1002/marc.200400574 PG 4 WC Polymer Science SC Polymer Science GA 917DQ UT WOS:000228436600006 ER PT J AU Claridge, SA Goh, SL Frechet, JMJ Williams, SC Micheel, CM Alivisatos, AP AF Claridge, SA Goh, SL Frechet, JMJ Williams, SC Micheel, CM Alivisatos, AP TI Directed assembly of discrete gold nanoparticle groupings using branched DNA scaffolds SO CHEMISTRY OF MATERIALS LA English DT Article ID PLASMON RESONANCES; BUILDING-BLOCKS; COVALENT DNA; OLIGONUCLEOTIDES; NANOSTRUCTURES; FUNCTIONALIZATION; ELECTROPHORESIS; NANOTECHNOLOGY; CONSTRUCTION; NANOCRYSTALS AB The concept of self-assembled dendrimers is explored for the creation of discrete nanoparticle assemblies. Hybridization of branched DNA trimers and nanoparticle-DNA conjugates results in the synthesis of nanoparticle trimer and tetramer complexes. Multiple tetramer architectures are investigated, utilizing Au-DNA conjugates with varying secondary structural motifs. Hybridization products are analyzed by gel electrophoresis, and discrete bands are observed corresponding to structures with increasing numbers of hybridization events. Samples extracted from each band are analyzed by transmission electron microscopy, and statistics compiled from micrographs are used to compare assembly characteristics for each architecture. Asymmetric structures are also produced in which both 5- and 10-nm Au particles are assembled on branched scaffolds. C1 Univ Calif Berkeley, Ctr New Direct Organ Synth, Dept Chem, Berkeley, CA 94720 USA. EO Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Frechet, JMJ (reprint author), Univ Calif Berkeley, Ctr New Direct Organ Synth, Dept Chem, Berkeley, CA 94720 USA. EM frechet@berkeley.edu; alivis@uclink.berkeley.edu RI Alivisatos , Paul /N-8863-2015; OI Alivisatos , Paul /0000-0001-6895-9048; Micheel, Christine/0000-0002-7744-9039; Frechet, Jean /0000-0001-6419-0163 NR 36 TC 112 Z9 113 U1 6 U2 54 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 5 PY 2005 VL 17 IS 7 BP 1628 EP 1635 DI 10.1021/cm0484089 PG 8 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 912UZ UT WOS:000228106700003 ER PT J AU Li, ZJ Dai, S AF Li, ZJ Dai, S TI Surface functionalization and pore size manipulation for carbons of ordered structure SO CHEMISTRY OF MATERIALS LA English DT Article ID MESOPOROUS CARBONS; NANOPOROUS CARBON; MOLECULAR-SIEVES; NANOTUBES; SILICA; CHROMATOGRAPHY; TEMPLATES; PITCH AB Covalent functionalization and pore size manipulation were successfully achieved on ordered mesoporous carbons, by using a method in which diazonium compounds were in-situ generated and reacted with the carbon surface. Aryl groups substituted on the 4-poisiton (Ar-R, R = chlorine, ester, and alkyl) were covalently attached to the surface of hexagonally structured carbon, which was synthesized using ordered silica SBA-15 as template. The presence of these functional groups on the modified carbons was confirmed with Fourier transform infrared spectroscopy, thermogravimetric analysis, electron microscopy, and nitrogen adsorption. A relatively high grafting density of similar to 1.5 mu mol/ml was achieved. Chemical modification considerably changed the pore width from 3.0 nm for the unmodified samples to similar to 1.4 nm for modified samples, while the primary hexagonal structure and the unit parameter of ordered mesoporous carbon were retained after attachment of surface functionalities. C1 Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Dai, S (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM dais@ornl.gov RI Dai, Sheng/K-8411-2015 OI Dai, Sheng/0000-0002-8046-3931 NR 36 TC 63 Z9 66 U1 6 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 5 PY 2005 VL 17 IS 7 BP 1717 EP 1721 DI 10.1021/cm047954z PG 5 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 912UZ UT WOS:000228106700015 ER PT J AU Jarupatrakorn, J Coles, MP Tilley, TD AF Jarupatrakorn, J Coles, MP Tilley, TD TI Synthesis and characterization of MO[OSi((OBu)-Bu-t)(3)](4) and MO2[(OSiOBu)-Bu-t)(3)](2) (M = Mo, W): Models for isolated oxo-molybdenum and -tungsten sites on silica and precursors to molybdena- and tungsta-silica materials SO CHEMISTRY OF MATERIALS LA English DT Article ID NUCLEAR-MAGNETIC-RESONANCE; SUPPORTED MOLYBDENUM; VIBRATIONAL-SPECTRA; MOLECULAR PRECURSOR; PARTIAL OXIDATION; RAMAN-SPECTROSCOPY; SINGLE-SITE; PHYSICOCHEMICAL CHARACTERIZATION; DIOXOMOLYBDENUM(VI) COMPLEXES; THERMOLYTIC TRANSFORMATION AB The tri(alkoxy)siloxy complexes MO[OSi((OBu)-Bu-t)(3)](4) (1, M = Mo and 2, M = W) were prepared from MOCl4 and LiOSi((OBu)-Bu-t). Similarly, reactions of MO2Cl2(DME) with LiOSi((OBu)-Bu-t)(3) afforded the new siloxide complexes MO2[OSi((OBu)-Bu-t)(3)](2) (3, M = Mo and 4, M = W), which are themally unstable at ambient temperature. More stable compounds were obtained by the crystallizations of 3 and 4 in a coordinating solvent, to form the ether adducts MoO2[OSi((OBu)-Bu-t)(3)](2)(THF) (3a) and WO2[OSi((OBU)-B-t)(3)](2)(DME) (4a). These compounds serve as soluble models for isolated molybdenum or tungsten atoms on a silica surface and were characterized by H-1, C-13, Si-29, Mo-95, and W-183 NMR, FT-Raman, FT-IR, and UV-vis spectroscopies. Compounds 1, 2, 3a, and 4a were used to prepare metal-oxide silica composites via the thermolytic molecular precursor method. The xerogels obtained from the thermolyses of 1, 2, 3a, and 4a in toluene contained mesoporosity with surface areas of 10, 230, 106, and 270 m(2) g(-1), respectively. Despite the high surface areas for most samples, these xerogels contain MO3 domains. Complexes 1 and 2 were also used to introduce molybdenum and tungsten sites, respectively, onto mesoporous SBA-15 silica via displacement of the -OSi((OBu)-Bu-t)(3) ligand for a siloxyl group from the silica surface. All molybdenum- and tungsten-containing systems were tested as catalysts for the epoxidation of cyclohexene using tert-butyl hydroperoxide (TBHP) or aqueous H2O2 as the oxidant. C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Tilley, TD (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM tdtilley@berkeley.edu NR 89 TC 47 Z9 47 U1 3 U2 23 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 5 PY 2005 VL 17 IS 7 BP 1818 EP 1828 DI 10.1021/cm040344e PG 11 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 912UZ UT WOS:000228106700028 ER PT J AU Xu, HW Navrotsky, A Su, YL Balmer, ML AF Xu, HW Navrotsky, A Su, YL Balmer, ML TI Perovskite solid solutions along the NaNbO(3)-SrTiO(3) join: Phase transitions, formation enthalpies, and implications for general perovskite energetics SO CHEMISTRY OF MATERIALS LA English DT Article ID SOFT-PHONON MODES; OCTAHEDRAL MOLECULAR-SIEVES; NB-DOPED SRTIO3; SODIUM NIOBATE; DEGREES-C; LATTICE-PARAMETERS; ROOM-TEMPERATURE; LITHIUM-NIOBATE; NANBO3; SYSTEMS AB Perovskite solid solutions along the NaNbO(3)-SrTiO(3) join have been synthesized using the sol-gel and solid-state sintering methods, XRD analysis indicates that as Sr+Ti content increases, the perovskite structure changes from the orthorhombic to tetragonal and to cubic. The enthalpies of formation from the constituent oxides (Delta H(f.ox)(o) and from the elements (Delta H(f.el)(o)) have been determined by drop solution calorimetry into molten 3Na(2)O-4MoO(3) at 974 K. The formation enthalpy Delta H(f.ox)(o) becomes less exothermic with increasing Sr+Ti content, suggesting a destabilization effect of the substitution, Na(+) + Nb(5+) -> Sr(2+) + Ti(4+) on the perovskite structure with respect to the constituent oxides. The trend of decreasing thermodynamic stability with decreasing structural distortion (relative to the ideal cubic structure) is opposite to that seen in most ABO(3) perovskites. We interpret this behavior in terms of the dominance of acid-base chemistry, expressed by the ionic potential ratio of B to A cation (z/r)(B)/(z/r)(A), in determining phase stability. This approach can be applied to other perovskite systems. Moreover, the enthalpic variation with Sr+Ti content is nearly linear, and thus the enthalpies of the morphotropic transitions across the series are rather small. C1 Univ Calif Davis, Thermochem Facil, Davis, CA 95616 USA. Univ Calif Davis, NEAT ORU, Davis, CA 95616 USA. Pacific NW Natl Lab, Richland, WA 99352 USA. RP Xu, HW (reprint author), Univ Calif Davis, Thermochem Facil, Davis, CA 95616 USA. NR 45 TC 24 Z9 24 U1 2 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 5 PY 2005 VL 17 IS 7 BP 1880 EP 1886 DI 10.1021/cm047785i PG 7 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 912UZ UT WOS:000228106700037 ER PT J AU Wang, J Ebner, AD Zidan, R Ritter, JA AF Wang, J Ebner, AD Zidan, R Ritter, JA TI Synergistic effects of co-dopants on the dehydrogenation kinetics of sodium aluminum hydride SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article DE hydrogen storage materials; nanostructures; chemical synthesis; high-energy ball milling; thermal analysis ID HYDROGEN-STORAGE MATERIALS; X-RAY-DIFFRACTION; TI-DOPED NAALH4; SURFACE SEGREGATION; NEUTRON-DIFFRACTION; CATALYZED ALANATES; TITANIUM; ZIRCONIUM; PRESSURE; FETI AB A systematic analysis of the effect of co-dopants on the dehydrogenation kinetics of freshly doped and ball milled NaAlH(4) samples was carried out with chlorides of Ti, Zr and Fe as the catalysts. Numerous samples of NaAlH(4) when co-doped with binary and ternary combinations of Ti, Zr and Fe at 4 mol% total catalyst content exhibited synergistic behavior, with respect to improving the dehydrogenation kinetics of the first decomposition reaction (i.e., NaAlH(4) -> Na(3)AlH(6)) over that of a sample of NaAlH(4) doped with 4 mol% Ti or Zr as single catalysts. In general, the dehydrogenation kinetics improved with the amount of Ti present in a co-doped sample, whether it was a binary or ternary system, with the top five performers all having at least 2 mol% Ti as one of the co-dopants. The binary combination of 3 mol% Ti-1 mol% Fe exhibited the best synergistic performance, with dehydrogenation rates 3.7, 2.0 and 1.5 times that of 4 mol% Ti alone at 90, 110 and 130 degrees C, respectively. The binary co-doped Zr-Fe system exhibited more pronounced synergistic effects than did the binary co-doped Ti-Fe system; however, their performance was always worse because Ti is a better single catalyst than Zr. The least synergism was exhibited by the binary co-doped Ti-Zr system, where it was surmised that the superior electron sharing ability of electron rich Fe was responsible for it being a better promoter of Ti and Zr than Zr was of Ti. This supposition was further supported by the systematic trends observed with the ternary co-doped systems, with their synergistic effects seemingly limited to binary combinations of the Ti-Fe and Zr-Fe systems. The effects of Ti, Zr and Fe as co-dopants on the second decomposition reaction (i.e., Na(3)AlH(6) -> NaH) were not as pronounced as their effects on the first reaction; but synergisms were still observed, especially with all three binary Zr-Fe co-doped systems and to a lesser extent only with the 3 mol% Ti-1 mol% Fe system. A future study will consider the effects of these co-dopants on the dehydrogenation/rehydrogenation kinetics after cycling. (c) 2004 Elsevier B.V. All rights reserved. C1 Univ S Carolina, Dept Chem Engn, Columbia, SC 29208 USA. Savannah River Natl Lab, Aiken, SC 29804 USA. RP Ritter, JA (reprint author), Univ S Carolina, Dept Chem Engn, Columbia, SC 29208 USA. EM ritter@engr.sc.edu NR 47 TC 36 Z9 37 U1 1 U2 13 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 5 PY 2005 VL 391 IS 1-2 BP 245 EP 255 DI 10.1016/j.jallcom.2004.08.069 PG 11 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 907VG UT WOS:000227745500045 ER PT J AU Celina, M Gillen, KT AF Celina, M Gillen, KT TI Oxygen permeability measurements on elastomers at temperatures up to 225 degrees C SO MACROMOLECULES LA English DT Article ID DIFFUSION-LIMITED OXIDATION; THERMALLY AGED ELASTOMERS; THEORETICAL-MODEL; TIME DEVELOPMENT; PROFILES; EXTRAPOLATION; DEGRADATION; ARRHENIUS; LIFETIMES AB Oxygen permeability data, vital parameters for understanding and modeling the thermooxidative degradation of polymers, have been determined for various elastomers. Using a novel experimental setup, oxygen permeability through sheet materials was measured for elevated temperatures up to 225 degrees C. Under these conditions oxygen can react with the polymer reducing the effective O-2 flux. Knowing the relevant oxidation rates makes it possible to correct the permeability measurements for thermal oxidation occurring during permeation. A theoretical model using iterative data processing to determine true permeability data was developed to compensate for the oxidative loss of oxygen. The applicability to data collection and mathematical treatment for a range of materials is demonstrated. All permeability measurements exhibit curvature for an Arrhenius plot with activation energies being highly dependent on temperature. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM mccelin@sandia.gov NR 32 TC 17 Z9 17 U1 2 U2 7 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0024-9297 EI 1520-5835 J9 MACROMOLECULES JI Macromolecules PD APR 5 PY 2005 VL 38 IS 7 BP 2754 EP 2763 DI 10.1021/ma0487913 PG 10 WC Polymer Science SC Polymer Science GA 912HG UT WOS:000228067600030 ER PT J AU Hulme, JT Konoki, K Lin, TWC Gritsenko, MA Camp, DG Bigelow, DJ Catterall, WA AF Hulme, JT Konoki, K Lin, TWC Gritsenko, MA Camp, DG Bigelow, DJ Catterall, WA TI Sites of proteolytic processing and noncovalent association of the distal C-terminal domain of Cav1.1 channels in skeletal muscle SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE calcium channels; contraction coupling; excitation; protein kinase; proteolysis ID DEPENDENT PROTEIN-KINASE; SENSITIVE CALCIUM-CHANNEL; 2 SIZE FORMS; FULL-LENGTH FORM; ALPHA-1 SUBUNIT; CA2+ CHANNEL; DIHYDROPYRIDINE RECEPTORS; MASS-SPECTROMETRY; PHOSPHORYLATION; CALPAIN AB In skeletal muscle cells, voltage-dependent potentiation of Ca2+ channel activity requires phosphorylation by cAMP-dependent protein kinase (PKA) anchored via an A-kinase anchoring protein (AKAP15), and the most rapid sites of phosphorylation are located in the C-terminal domain. Surprisingly, the site of interaction of the complex of PKA and AKAP15 with the alpha(1)-subunit of Ca(v)1.1 channels lies in the distal C terminus, which is cleaved from the remainder of the channel by in vivo proteolytic processing. Here we report that the distal C terminus is noncovalently associated with the remainder of the channel via an interaction with a site in the proximal C-terminal domain when expressed as a separate protein in mammalian nonmuscle cells. Deletion mapping of the C terminus of the alpha(1)-subunit using the yeast two-hybrid assay revealed that a distal C-terminal peptide containing amino acids 1802-1841 specifically interacts with a region in the proximal C terminus containing amino acid residues 1556-1612. Analysis of the purified alpha(1)-subunit of Ca(v)1.1 channels from skeletal muscle by saturation sequencing of the intracellular peptides by tandem mass spectrometry identified the site of proteolytic processing as alanine 1664. Our results support the conclusion that a noncovalently associated complex of the alpha(1)-subunit truncated at A1664 with the proteolytically cleaved distal C-terminal domain, AKAP15, and PKA is the primary physiological form of Ca(v)1.1 channels in skeletal muscle cells. C1 Univ Washington, Dept Pharmacol, Seattle, WA 98195 USA. Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99354 USA. Pacific NW Natl Lab, Cell Biol & Biochem Grp, Div Biol Sci, Richland, WA 99354 USA. RP Catterall, WA (reprint author), Univ Washington, Dept Pharmacol, Mailstop 357280, Seattle, WA 98195 USA. EM wcatt@u.washington.edu RI Konoki, Keiichi/O-9600-2014 FU NCRR NIH HHS [P41 RR018522, RR18522]; NHLBI NIH HHS [P01 HL 44948, P01 HL044948] NR 35 TC 65 Z9 66 U1 1 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 5 PY 2005 VL 102 IS 14 BP 5274 EP 5279 DI 10.1073/pnas.0409885102 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 914AC UT WOS:000228195800063 PM 15793008 ER PT J AU Lee, SK Hesse, D Gosele, U Lee, HN AF Lee, SK Hesse, D Gosele, U Lee, HN TI Reducing azimuthal domains in epitaxial ferroelectric lanthanum-substituted bismuth titanate films using miscut yttria-stabilized zirconia substrates SO APPLIED PHYSICS LETTERS LA English DT Article ID VICINAL 001 SRTIO3; THIN-FILMS; GROWTH; LAYERS AB We report the effect of a definite miscut of yttria-stabilized zirconia (YSZ) (100) single-crystal substrates onto the number of azimuthal domain variants within epitaxial La-substituted Bi4Ti3O12 (BLT) ferroelectric thin films as well as within SrRuO3 electrode layers, both grown on these substrates. YSZ substrates with a miscut angle of 5 degrees were studied, with two different directions of the miscut, viz., YSZ[001] and YSZ[011]. A reduction of the number of azimuthal domain variants by 50% was attained on substrates with a [011]-directed miscut. Due most probably to the reduced number of azimuthal domain boundaries, larger remanent polarization values were attained in BLT films when grown on miscut substrates. (C) 2005 American Institute of Physics. C1 Max Planck Inst Microstruct Phys, D-06120 Halle An Der Saale, Germany. Oak Ridge Natl Lab, Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. RP Lee, SK (reprint author), Max Planck Inst Microstruct Phys, Weinberg 2, D-06120 Halle An Der Saale, Germany. EM sklee@mpi-halle.de RI Lee, Ho Nyung/K-2820-2012 OI Lee, Ho Nyung/0000-0002-2180-3975 NR 18 TC 1 Z9 1 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 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 4 PY 2005 VL 86 IS 14 AR 142903 DI 10.1063/1.1897044 PG 3 WC Physics, Applied SC Physics GA 914QN UT WOS:000228242700040 ER PT J AU Lee, TW Gray, SK AF Lee, TW Gray, SK TI Regenerated surface plasmon polaritons SO APPLIED PHYSICS LETTERS LA English DT Article ID FINITE-WIDTH; METAL-FILM; MODES; WAVES AB We discuss a way to increase surface plasmon polariton (SPP) propagation lengths and intensities. It involves reflecting radiation loss back to the propagation surface, regenerating SPPs. This is achieved with a metal-dielectric structure, which is also designed to efficiently couple in external light. Flexibility in the design of the structure allows for optimization of SPP properties. Extensive finite-difference time-domain simulations, including coupling external light into the system, demonstrate the approach. (C) 2005 American Institute of Physics. C1 Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Lee, TW (reprint author), Argonne Natl Lab, Div Chem, 9700 S Cass Ave, Argonne, IL 60439 USA. EM gray@anchim.chm.anl.gov NR 12 TC 13 Z9 13 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 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 4 PY 2005 VL 86 IS 14 AR 141105 DI 10.1063/1.1897427 PG 3 WC Physics, Applied SC Physics GA 914QN UT WOS:000228242700005 ER PT J AU Lin, Y Chen, X Liu, SW Chen, CL Lee, JS Li, Y Jia, QX Bhalla, A AF Lin, Y Chen, X Liu, SW Chen, CL Lee, JS Li, Y Jia, QX Bhalla, A TI Epitaxial nature and anisotropic dielectric properties of (Pb,Sr)TiO3 thin films on NdGaO3 substrates SO APPLIED PHYSICS LETTERS LA English DT Article ID MISFIT RELAXATION MECHANISMS; DOMAIN CONFIGURATIONS; STRONTIUM-TITANATE AB Epitaxial behavior of (Pb,Sr)TiO3 thin films on (110) NdGaO3 substrates fabricated in different conditions have been investigated using high resolution x-ray diffraction and characterized with interdigital dielectric measurement. A slow cooling results in films with a-axis normal to the surface (a-axis growth), whereas a fast cooling leads to growth of c-axis oriented films. The dielectric properties of the films prepared under different cooling rates are closely related to the crystalline structure of the films. (C) 2005 American Institute of Physics. C1 Univ Houston, Texas Ctr Superconduct, Houston, TX 77204 USA. Los Alamos Natl Lab, Superconduct Technol Ctr, Los Alamos, NM 87545 USA. Penn State Univ, Mat Res Lab, University Pk, PA 16802 USA. RP Chen, CL (reprint author), Univ Houston, Texas Ctr Superconduct, Houston, TX 77204 USA. EM clchen@uh.edu; qxjia@lanl.gov RI Lee, Jang-Sik/A-6629-2008; Jia, Q. X./C-5194-2008; lin, yuan/B-9955-2013 OI Lee, Jang-Sik/0000-0002-1096-1783; NR 20 TC 32 Z9 33 U1 5 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 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 4 PY 2005 VL 86 IS 14 AR 142902 DI 10.1063/1.1897078 PG 3 WC Physics, Applied SC Physics GA 914QN UT WOS:000228242700039 ER PT J AU Romero, MJ Jiang, CS Noufi, R Al-Jassim, M AF Romero, MJ Jiang, CS Noufi, R Al-Jassim, M TI Photon emission in CuInSe2 thin films observed by scanning tunneling microscopy SO APPLIED PHYSICS LETTERS LA English DT Article ID SOLAR-CELLS; LUMINESCENCE; EFFICIENCY AB We report on the observation of photon emission from CuInSe2 (CIS) thin films by scanning tunneling microscopy (STM), which results from the radiative recombination induced by tunneling electrons. Scanning tunneling luminescence (STL) spectroscopy suggests that photons are emitted near the surface of CIS. STL is excited by recombination of tunneling electrons with available holes in CIS or electron-hole recombination by impact ionization-unipolar and bipolar excitation, respectively. Which process becomes predominant depends on the voltage applied to the STM tip. Under unipolar excitation, the photon intensity decreases on grain boundaries when compared to grain interiors. Under bipolar excitation, on the other hand, no differences are observed in photon intensity. A reduction of the density of holes in grain boundaries, relative to grain interiors, can explain the observed behavior. (C) 2005 American Institute of Physics. C1 Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Romero, MJ (reprint author), Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO 80401 USA. EM manuel_romero@nrel.gov RI jiang, chun-sheng/F-7839-2012 NR 14 TC 20 Z9 20 U1 1 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 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 4 PY 2005 VL 86 IS 14 AR 143115 DI 10.1063/1.1897048 PG 3 WC Physics, Applied SC Physics GA 914QN UT WOS:000228242700059 ER PT J AU Tsetseris, L Zhou, XJ Fleetwood, DM Schrimpf, RD Pantelides, ST AF Tsetseris, L Zhou, XJ Fleetwood, DM Schrimpf, RD Pantelides, ST TI Physical mechanisms of negative-bias temperature instability SO APPLIED PHYSICS LETTERS LA English DT Article ID CRYSTALLINE SILICON; SI-SIO2 INTERFACE; HYDROGEN; DISSOCIATION; DIFFUSION; KINETICS; DEFECTS; INSIGHT; DEVICES; SI/SIO2 AB We report first-principles calculations that elucidate the mechanisms that underlie key features of negative-bias temperature instability (NBTI). We show that the depassivation of Si-H bonds by protons released in the Si substrate is consistent with the observed increase in interface-trap density. The calculated activation energy of 0.36 eV is in excellent agreement with observations for long stress times. Adequate amounts of hydrogen, needed to initiate depassivation, are likely to exist in the substrate, trapped in complexes with dopants. The role of holes in the H release mechanism is identified. Finally, we explain how the above mechanisms can account for various experimental NBTI observations. (C) 2005 American Institute of Physics. C1 Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. Vanderbilt Univ, Dept Elect Engn & Comp Sci, Nashville, TN 37235 USA. Oak Ridge Natl Lab, Div Solid State, Oak Ridge, TN 37831 USA. RP Tsetseris, L (reprint author), Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. RI Schrimpf, Ronald/L-5549-2013 OI Schrimpf, Ronald/0000-0001-7419-2701 NR 29 TC 79 Z9 81 U1 3 U2 50 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 4 PY 2005 VL 86 IS 14 AR 142103 DI 10.1063/1.1897075 PG 3 WC Physics, Applied SC Physics GA 914QN UT WOS:000228242700029 ER PT J AU Yang, B Morrison, ML Liaw, PK Buchanan, RA Wang, GY Liu, CT Denda, M AF Yang, B Morrison, ML Liaw, PK Buchanan, RA Wang, GY Liu, CT Denda, M TI Dynamic evolution of nanoscale shear bands in a bulk-metallic glass SO APPLIED PHYSICS LETTERS LA English DT Article ID ALLOYS AB Dynamic shear-band-evolution processes in a bulk-metallic glass (BMG), an emerging class of materials, were captured by a state-of-the-art, high-speed, infrared camera. Many shear bands initiated, propagated, and arrested before the final fracture in tension, each with decreasing temperature, and shear-strain profiles. A free-volume-exhaustion mechanism was proposed to explain the phenomena. The results contribute to understanding and improving the limited ductility of BMGs, which otherwise have superior mechanical properties. (C) 2005 American Institute of Physics. C1 Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Div Met & Ceram, Oak Ridge, TN 37830 USA. Rutgers State Univ, Dept Mech & Aerosp Engn, Piscataway, NJ 08854 USA. RP Yang, B (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. EM byang@utk.edu RI Wang, Gongyao/C-4003-2011 NR 8 TC 132 Z9 135 U1 4 U2 42 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 4 PY 2005 VL 86 IS 14 AR 141904 DI 10.1063/1.1891302 PG 3 WC Physics, Applied SC Physics GA 914QN UT WOS:000228242700017 ER PT J AU Liang, B Hunt, RD Kushto, GP Andrews, L Li, J Bursten, BE AF Liang, B Hunt, RD Kushto, GP Andrews, L Li, J Bursten, BE TI Reactions of laser-ablated uranium atoms with H2O in excess argon: A matrix infrared and relativistic DFT investigation of uranium oxyhydrides SO INORGANIC CHEMISTRY LA English DT Article ID DENSITY-FUNCTIONAL CALCULATIONS; GAS-ACTINIDE COMPOUNDS; SOLID ARGON; ELECTRONIC-STRUCTURE; WATER-VAPOR; ISOLATION FTIR; CUO MOLECULE; METAL ATOMS; 4 COMPLEXES; XE ATOMS AB Laser-ablated U atoms react with H2O during condensation in excess argon. Infrared absorptions at 1416.3, 1377.1, and 859.4 cm(-1) are assigned to symmetric H-U-H, antisymmetric H-U-H, and U=O stretching vibrations of the primary reaction product H2UO- Uranium monoxide, UO, also formed in the reaction, inserts into H2O to produce HUO(OH), which absorbs at 1370.5, 834.3, and 575.7 cm(-1). The HUO(OH) uranium(IV) product undergoes ultraviolet photoisomerization to a more stable H2UO2 uranium(VI) molecule, which absorbs at 1406.4 and 885.9 cm(-1). Several of these species, particularly H2UO2, appear to form weak Ar-coordinated complexes. The predicted vibrational frequencies, relative absorption intensities, and isotopic shifts from relativistic DFT calculations are in good agreement with observed spectra, which further supports the identification of novel uranium oxyhydrides from matrix infrared spectra. C1 Univ Virginia, Dept Chem, Charlottesville, VA 22904 USA. Pacific NW Natl Lab, William R Wiley Environm Mol Sci Lab, Richland, WA 99352 USA. Ohio State Univ, Dept Chem, Columbus, OH 43210 USA. RP Andrews, L (reprint author), Univ Virginia, Dept Chem, POB 400319, Charlottesville, VA 22904 USA. EM lsa@virginia.edu; jun.li@pnl.gov; bursten.l@osu.edu RI Li, Jun/E-5334-2011 OI Li, Jun/0000-0002-8456-3980 NR 63 TC 34 Z9 34 U1 2 U2 17 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 4 PY 2005 VL 44 IS 7 BP 2159 EP 2168 DI 10.1021/ic0483951 PG 10 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 912CH UT WOS:000228054200010 PM 15792450 ER PT J AU Sonnenberg, JL Hay, PJ Martin, RL Bursten, BE AF Sonnenberg, JL Hay, PJ Martin, RL Bursten, BE TI Theoretical investigations of uranyl-ligand bonding: Four- and five-coordinate uranyl cyanide, isocyanide, carbonyl, and hydroxide complexes SO INORGANIC CHEMISTRY LA English DT Article ID EFFECTIVE CORE POTENTIALS; ELECTRONIC-STRUCTURE; ACTINIDE COMPLEXES; QUANTUM-CHEMISTRY; AB-INITIO; O BONDS; DENSITY; HYDROLYSIS; MOLECULES; URANIUM AB The coordination and bonding of equatorial hydroxide, carbonyl, cyanide (CN-), and isocyanide (NC-) ligands with uranyl dication, [UO2](2+), has been studied using density functional theory with relativistic effective core potentials. Good agreement is seen between experimental and calculated geometries of [UO2(OH)(4)](2-). Newly predicted ground-state structures of [UO2(OH)(5)](3-), [UO2(CO)(4)](2+), [UO2(CO)(5)](2+), [UO2(CN)(4)](2-), [UO2(CN)(5)](3-), [UO2(NC)(4)](2-), and [UO2(NC)(5)](3-) are reported. Four-coordinate uranyl isocyanide complexes are the predicted gas-phase species while five-coordinate uranyl cyanide complexes are energetically favorable in aqueous solution. Small energy differences between cyanide and isocyanide complexes indicate the energetic feasibility of mixed cyanide and isocyanide complexes. A D-2d uranyl tetrahydroxide is the dominant gas-phase and aqueous species, but formation of uranyl carbonyl complexes is seen to be exothermic in the gas-phase and endothermic in aqueous solution. C1 Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. Ohio State Univ, Dept Chem, Columbus, OH 43210 USA. RP Hay, PJ (reprint author), Los Alamos Natl Lab, Div Theoret, Mail Stop B268, Los Alamos, NM 87545 USA. EM pjhay@lanl.gov RI Sonnenberg, Jason/B-3485-2008 OI Sonnenberg, Jason/0000-0003-0122-5108 NR 47 TC 77 Z9 77 U1 0 U2 19 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 4 PY 2005 VL 44 IS 7 BP 2255 EP 2262 DI 10.1021/ic048567u PG 8 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 912CH UT WOS:000228054200020 PM 15792460 ER PT J AU Cai, Y Ellern, A Espenson, JH AF Cai, Y Ellern, A Espenson, JH TI New oxorhenium(V) compound for catalyzed oxygen atom transfer from picoline N-oxide to triarylphosphines SO INORGANIC CHEMISTRY LA English DT Article ID ACTIVE-SITES; SUBSTITUTION-REACTIONS; COMPLEXES; MECHANISM; REACTIVITY; KINETICS; MOLYBDENUM; TUNGSTEN AB The synthesis and characterization of a new oxorhenium(V) compound is reported; it is [MeReO(edt)(bpym)], 8, where edt = 1,2-ethanedithiolate and bpym = 2,2'-bipyrimidine. Compound 8 was characterized by NMR spectroscopy and single-crystal X-ray analysis. It exists as a six-coordinate Re(V) compound comparable to the previously known [MeReO(edt)(bpy)] and [MeReO(mtp)(bpy)]. Compound 8 catalyzes the oxygen-atom-transfer reaction PiCO + PZ(3) -> Pic + Z(3)PO, whereas the other two do not. The kinetics of this reaction with catalyst 8 follows the rate law -d[PicO]/dt = K[8][PicO]/(1 + c[PZ(3)]). With different phosphines, the rate law has the same k value, 4.17 L mol(-1) s(-1), but different c values. For tritolylphosphine, c = 67.5 L mol(-1) in benzene at 25 degrees C. A mechanism has been proposed to account for these findings, The data establish that an open coordination site on rhenium is necessary for oxygen-atom-transfer reactions. C1 Iowa State Univ, Ames Lab, Ames, IA 50011 USA. Iowa State Univ, Dept Chem, Ames, IA 50011 USA. RP Espenson, JH (reprint author), Iowa State Univ, Ames Lab, Ames, IA 50011 USA. EM espenson@iastate.edu NR 22 TC 13 Z9 13 U1 0 U2 2 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 4 PY 2005 VL 44 IS 7 BP 2560 EP 2565 DI 10.1021/ic048598p PG 6 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 912CH UT WOS:000228054200055 PM 15792495 ER PT J AU Heckman, P Back, BB Baumann, I Carpenter, MP Dioszegi, I Hofman, DJ Khoo, TL Mitsuoka, S Nanal, V Pennington, T Seitz, JP Thoennessen, M Tryggestad, E Varner, RL AF Heckman, P Back, BB Baumann, I Carpenter, MP Dioszegi, I Hofman, DJ Khoo, TL Mitsuoka, S Nanal, V Pennington, T Seitz, JP Thoennessen, M Tryggestad, E Varner, RL TI Temperature and spin dependence of the giant dipole resonance width SO NUCLEAR PHYSICS A LA English DT Article DE NUCLEAR REACTIONS Mo-100(O-17, xnyp) E=78.8 MeV; Mo-100(O-18, xnyp), E=95.0 MeV;measured E-y, I-y; (evaporation residue) y -coin.; Sn-117,Sn-118 deduced GDR widths; temperature and spin dependence features; comparison with model predictions ID INELASTIC ALPHA-SCATTERING; HOT ROTATING NUCLEI; EXCITATION-ENERGY; SN-120; PB-208; FLUCTUATIONS; ISOTOPES AB The dependence of the GDR width on temperature and spin was investigated in Sn nuclei, by using the reactions O-17 + Mo-100 and O-18 + Mo-100 to form Sn-117 and Sn-118, respectively. Widths of Gamma = 6.9 +/- 0.5 MeV and Gamma = 8.2 +/- 0.5 MeV were extracted for temperatures of 1.74 and 1.84 MeV, The validity of the temperature dependence predicted by the thermal shape fluctuation model was further tested by performing statistical model calculations where the width of the resonance was adjusted continuously along the decay. This analysis further confirmed that the thermal shape fluctuation model overpredicts the width at T < 1.8 MeV. However, the spin dependence of the GDR width in Sn is well described by the calculations of Ref. [10]. C1 Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. Michigan State Univ, Natl Superconducting Cyclotron Lab, E Lansing, MI 48824 USA. Argonne Natl Lab, Argonne, IL 60439 USA. SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. Univ Illinois, Dept Phys, Chicago, IL 60607 USA. Tata Inst Fundamental Res, Bombay 400005, Maharashtra, India. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Heckman, P (reprint author), Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. RI Carpenter, Michael/E-4287-2015 OI Carpenter, Michael/0000-0002-3237-5734 NR 25 TC 2 Z9 2 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 4 PY 2005 VL 750 IS 2-4 BP 175 EP 184 DI 10.1016/j.nuclphysa.2004.12.065 PG 10 WC Physics, Nuclear SC Physics GA 908VA UT WOS:000227817100001 ER PT J AU Seitz, JP Back, BB Carpenter, MP Dioszegi, I Eisenman, K Heckman, P Hofman, DJ Kelly, MP Khoo, TL Mitsuoka, S Nanal, V Pennington, T Siemssen, RH Thoennessen, M Varner, RL AF Seitz, JP Back, BB Carpenter, MP Dioszegi, I Eisenman, K Heckman, P Hofman, DJ Kelly, MP Khoo, TL Mitsuoka, S Nanal, V Pennington, T Siemssen, RH Thoennessen, M Varner, RL TI Observation of the hot GDR in neutron-deficient thorium evaporation residues SO NUCLEAR PHYSICS A LA English DT Article DE nuclear reactions Yb-176 (Ca-48, X), E=206, 219, 256, 259 MeV; measured E gamma, I gamma, (evaporation residue) gamma-coin, gamma-ray multiplicity and sum energy, fusion and evaporation residue sigma; Th-224 deduced GDR parameters; comparison with model predictions ID GIANT-DIPOLE RESONANCE; HEAVY-ION REACTIONS; QUASI-FISSION; ELASTIC-SCATTERING; ENTRY DISTRIBUTION; COMPLETE FUSION; CROSS-SECTIONS; TIME SCALES; O-16 IONS; NUCLEUS AB The giant dipole resonance built on excited states was observed in very fissile nuclei in coincidence with evaporation residues. The reaction Ca-48 + Yb-176 populated evaporation residues of mass A = 213-220 with a cross section of similar to 200 mu b at 259 MeV. The extracted giant dipole resonance parameters are in agreement with theoretical predictions for this mass region. (c) 2005 Elsevier B.V. All rights reserved. C1 Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. Michigan State Univ, Natl Supercond Cyclotron Lab, E Lansing, MI 48824 USA. Argonne Natl Lab, Argonne, IL 60439 USA. SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. Univ Illinois, Dept Phys, Chicago, IL 60607 USA. Tata Inst Fundamental Res, Bombay 400005, Maharashtra, India. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. Kernfys Versneller Inst, NL-9747 AA Groningen, Netherlands. RP Thoennessen, M (reprint author), Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. EM thoennessen@nscl.msu.edu RI Carpenter, Michael/E-4287-2015 OI Carpenter, Michael/0000-0002-3237-5734 NR 42 TC 7 Z9 7 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 4 PY 2005 VL 750 IS 2-4 BP 245 EP 255 DI 10.1016/j.nuclphysa.2005.01.015 PG 11 WC Physics, Nuclear SC Physics GA 908VA UT WOS:000227817100006 ER PT J AU Berman, GP Borgonovi, F Tsifrinovich, VI AF Berman, GP Borgonovi, F Tsifrinovich, VI TI A model for quantum jumps in magnetic resonance force microscopy SO PHYSICS LETTERS A LA English DT Article ID SPIN RELAXATION; DYNAMICS AB We propose a simple model which describes the statistical properties of quantum jumps in a single-spin measurement using the oscillating cantilever-driven adiabatic reversals technique in magnetic resonance force microscopy. Our computer simulat tions based on this model predict the average time interval between two consecutive quantum jumps and the correlation time to be proportional to the characteristic time of the magnetic noise and inversely proportional to the square of the magnetic noise amplitude. (c) 2005 Elsevier B.V. All rights reserved. C1 Univ Cattolica, Dipartimento Matemat & Fis, I-25121 Brescia, Italy. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, CNLS, Los Alamos, NM 87545 USA. INFM, Unita Brescia, Brescia, Italy. Ist Nazl Fis Nucl, Sez Pavia, Pavia, Italy. Polytech Univ, IDS Dept, Metrotech Ctr 6, Brooklyn, NY 11201 USA. RP Borgonovi, F (reprint author), Univ Cattolica, Dipartimento Matemat & Fis, Via Musei 41, I-25121 Brescia, Italy. EM f.borgonovi@cmf.unicatt.it OI borgonovi, fausto/0000-0002-9730-1189 NR 16 TC 5 Z9 5 U1 0 U2 1 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 4 PY 2005 VL 337 IS 3 BP 161 EP 165 DI 10.1016/j.physleta.2005.01.034 PG 5 WC Physics, Multidisciplinary SC Physics GA 929LC UT WOS:000229346600001 ER PT J AU Ovtchinnikov, M Ghan, SJ AF Ovtchinnikov, M Ghan, SJ TI Parallel simulations of aerosol influence on clouds using cloud-resolving and single-column models SO JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES LA English DT Article ID GENERAL-CIRCULATION MODEL; MARINE BOUNDARY-LAYER; EXPLICIT MICROPHYSICS; RADIATIVE PROPERTIES; CONDENSATION NUCLEI; WATER CLOUDS; NUMERICAL-SIMULATION; CLOSURE-MODEL; PARAMETERIZATION; STRATOCUMULUS AB [1] The influence of the cloud condensation nucleus (CCN) concentration on the properties of low-level clouds under the conditions observed over the north central Oklahoma on 24 - 25 September 1997 is examined in a series of 18-hour simulations using a single-column model (SCM) and a cloud-resolving model ( CM). Both models predict higher droplet concentration, smaller droplet size, and larger liquid water path in a "polluted'' case ( CCN concentration = 1000 cm(-3)) than in a clean case ( CCN concentration = 250 cm(-3)), suggesting that the first and the second indirect effects act in unison under the considered conditions. A comparison of the simulations using the SCM and CM with the same two-moment bulk microphysics parameterization highlights the dominant effect of the dynamical framework on both microphysical and macrophysical properties of modeled cloud. This effect is much stronger than the variations in each of the models resulting from changing CCN concentrations. However, the relative liquid water path sensitivity to CCN concentration is similar between the SCM and CM simulations. The CM simulations with the size-resolved and the two-moment bulk microphysical parameterization yield nearly identical structure of boundary layer. Even though these simulations are in much closer agreement with each other than they are with the SCM results, the variance from the microphysics treatment is still comparable to the effect of quadrupling CCN concentration. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Ovtchinnikov, M (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA. EM Mikhail.Ovtchinnikov@pnl.gov RI Ghan, Steven/H-4301-2011 OI Ghan, Steven/0000-0001-8355-8699 NR 45 TC 20 Z9 20 U1 0 U2 1 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 2 PY 2005 VL 110 IS D15 AR D15S10 DI 10.1029/2004JD005088 PG 19 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 916EG UT WOS:000228367600001 ER PT J AU Fiedler, D Leung, DH Bergman, RG Raymond, KN AF Fiedler, D Leung, DH Bergman, RG Raymond, KN TI Selective molecular recognition, C-H bond activation, and catalysis in nanoscale reaction vessels SO ACCOUNTS OF CHEMICAL RESEARCH LA English DT Review ID CATIONIC RUTHENIUM COMPLEXES; TRANSITION-METAL CATALYSTS; DIELS-ALDER REACTION; EPOXIDATION CATALYSTS; ASYMMETRIC CATALYSIS; HOMOGENEOUS SOLUTION; ENCAPSULATION; COORDINATION; RESOLUTION; CAPSULE AB Supramolecular chemistry represents a way to mimic enzyme reactivity by using specially designed container molecules. We have shown that a chiral self-assembled M4L6 supramolecular tetrahedron can encapsulate a variety of cationic guests with varying degrees of stereoselectivity. Reactive iridium guests can be encapsulated, and the C-H bond activation of aldehydes occurs with the host cavity controlling the ability of substrates to interact with the metal center based upon size and shape. In addition, the host container can act as a catalyst by itself By restricting reaction space and preorganizing the substrates into reactive conformations, it accelerates the sigmatropic rearrangement of enammonium cations. C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. RP Bergman, RG (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. EM bergman@cchem.berkeley.edu; raymond@socrates.berkeley.edu NR 40 TC 475 Z9 477 U1 23 U2 164 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0001-4842 J9 ACCOUNTS CHEM RES JI Accounts Chem. Res. PD APR PY 2005 VL 38 IS 4 BP 349 EP 358 DI 10.1021/ar040152p PG 10 WC Chemistry, Multidisciplinary SC Chemistry GA 919AV UT WOS:000228591600015 PM 15835881 ER PT J AU Caspi, EN Pokroy, B Lee, PL Quintana, JP Zolotoyabko, E AF Caspi, EN Pokroy, B Lee, PL Quintana, JP Zolotoyabko, E TI On the structure of aragonite SO ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE LA English DT Article ID POWDER DIFFRACTION AB High-resolution synchrotron powder diffraction measurements were carried out at the 32-ID beamline of the Advanced Photon Source of Argonne National Laboratory in order to clarify the structure of geological aragonite, a widely abundant polymorph of CaCO(3). The investigated crystals were practically free of impurity atoms, as measured by wavelength-dispersive X-ray spectroscopy in scanning electron microscopy. A superior quality of diffraction data was achieved by using the 11-channel 111 Si multi-analyzer of the diffracted beam. Applying the Rietveld refinement procedure to the high-resolution diffraction spectra, we were able to extract the aragonite lattice parameters with an accuracy of about 20 p. p. m. The data obtained unambiguously confirm that pure aragonite crystals have orthorhombic symmetry. C1 Nucl Res Ctr Negev, Dept Phys, IL-84190 Beer Sheva, Israel. Technion Israel Inst Technol, Dept Mat Engn, IL-32000 Haifa, Israel. Argonne Natl Lab, Argonne, IL 60439 USA. Northwestern Univ, DND CAT Synchrotron Res Ctr, Argonne, IL 60439 USA. RP Caspi, EN (reprint author), Nucl Res Ctr Negev, Dept Phys, POB 9001, IL-84190 Beer Sheva, Israel. EM caspie@nrcn.org.il RI Pokroy, Boaz/C-8878-2011 NR 19 TC 50 Z9 50 U1 1 U2 16 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0108-7681 J9 ACTA CRYSTALLOGR B JI Acta Crystallogr. Sect. B-Struct. Sci. PD APR PY 2005 VL 61 BP 129 EP 132 DI 10.1107/S0108768105005240 PN 2 PG 4 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA 906TH UT WOS:000227665700001 PM 15772443 ER PT J AU Kantardjieff, KA Vasquez, C Castro, P Warfel, NM Rho, BS Lekin, T Kim, CY Segelke, BW Terwilliger, TC Rupp, B AF Kantardjieff, KA Vasquez, C Castro, P Warfel, NM Rho, BS Lekin, T Kim, CY Segelke, BW Terwilliger, TC Rupp, B TI Structure of pyrR (Rv1379) from Mycobacterium tuberculosis: a persistence gene and protein drug target SO ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY LA English DT Article ID AUTOGENOUS TRANSCRIPTIONAL ATTENUATION; BACILLUS-SUBTILIS PYRR; URACIL PHOSPHORIBOSYLTRANSFERASE; PYRIMIDINE BIOSYNTHESIS; GENOMICS CONSORTIUM; ELECTRON-DENSITY; ANTIVIRAL ACTIVITY; BINDING; NUCLEOSIDES; CLUSTER AB The Mycobacterium tuberculosis pyrR gene (Rv1379) encodes a protein that regulates the expression of pyrimidine-nucleotide biosynthesis (pyr) genes in a UMP-dependent manner. Because pyrimidine biosynthesis is an essential step in the progression of TB, the gene product pyrR is an attractive antitubercular drug target. The 1.9 angstrom native structure of Mtb pyrR determined by the TB Structural Genomics Consortium facilities in trigonal space group P3(1)21 is reported, with unit-cell parameters a = 66.64, c = 154.72 angstrom at 120 K and two molecules in the asymmetric unit. The three-dimensional structure and residual uracil phosphoribosyltransferase activity point to a common PRTase ancestor for pyrR. However, while PRPP- and UMP-binding sites have been retained in Mtb pyrR, a distinct dimer interaction among subunits creates a deep positively charged cleft capable of binding pyr mRNA. In silico screening of pyrimidine-nucleoside analogs has revealed a number of potential lead compounds that, if bound to Mtb pyrR, could facilitate transcriptional attenuation, particularly cyclopentenyl nucleosides. C1 Lawrence Livermore Natl Lab, Biol & Biotechnol Res Program, Livermore, CA 94551 USA. Calif State Univ Fullerton, Dept Chem & Biochem, Fullerton, CA 92834 USA. Calif State Univ Fullerton, WM Keck Fdn Ctr Mol Struct, Fullerton, CA 92834 USA. Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. RP Rupp, B (reprint author), Lawrence Livermore Natl Lab, Biol & Biotechnol Res Program, L-448, Livermore, CA 94551 USA. EM br@llnl.gov RI Terwilliger, Thomas/K-4109-2012 OI Terwilliger, Thomas/0000-0001-6384-0320 FU NIGMS NIH HHS [P50 GM62410] NR 50 TC 13 Z9 13 U1 0 U2 1 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 2005 VL 61 BP 355 EP 364 DI 10.1107/S090744490403389X PN 4 PG 10 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA 909NW UT WOS:000227867600001 PM 15805589 ER PT J AU Huang, LS Borders, TM Shen, JT Wang, CJ Berry, EA AF Huang, LS Borders, TM Shen, JT Wang, CJ Berry, EA TI Crystallization of mitochondrial respiratory complex II from chicken heart: a membrane-protein complex diffracting to 2.0 angstrom SO ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY LA English DT Article ID WOLINELLA-SUCCINOGENES QUINOL; SUCCINATE-DEHYDROGENASE; FUMARATE REDUCTASE; ESCHERICHIA-COLI; CHAIN; PARAGANGLIOMA; OXIDOREDUCTASES; RECONSTITUTION; MUTATIONS AB A procedure is presented for preparation of diffraction-quality crystals of a vertebrate mitochondrial respiratory complex II. The crystals have the potential to diffract to at least 2.0 angstrom with optimization of post-crystal-growth treatment and cryoprotection. This should allow determination of the structure of this important and medically relevant membrane-protein complex at near-atomic resolution and provide great detail of the mode of binding of substrates and inhibitors at the two substrate-binding sites. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Berry, EA (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Phys Biosci Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM eaberry@lbl.gov FU NIDDK NIH HHS [DK44842, R01 DK044842]; NIGMS NIH HHS [GM62563, R01 GM062563] NR 34 TC 14 Z9 18 U1 1 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 2005 VL 61 BP 380 EP 387 DI 10.1107/S0907444905000181 PN 4 PG 8 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA 909NW UT WOS:000227867600004 PM 15805592 ER PT J AU Margiolaki, I Wright, JP Fitch, AN Fox, GC von Dreele, RB AF Margiolaki, I Wright, JP Fitch, AN Fox, GC von Dreele, RB TI Synchrotron X-ray powder diffraction study of hexagonal turkey egg-white lysozyme SO ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY LA English DT Article ID PROTEIN CRYSTAL-STRUCTURE; TRI-N-ACETYLCHITOTRIOSE; RESOLUTION; REFINEMENT; COMPLEX; ACETYLGLUCOSAMINE; INHIBITOR; PATTERNS; BINDING AB The structure of turkey egg-white lysozyme (TEWL) has been refined from high-resolution X-ray powder diffraction data. The sample was rapidly obtained as a polycrystalline precipitate at high protein concentration using 0.5 M NaCl solvent pH 6 and was deposited in the PDB with code 1xft. The diffraction data were collected at room temperature. Molecular replacement was shown to give a suitable starting point for refinement, illustrating that powder data can be sufficient for this approach. Crystallographic models were then refined by combined Rietveld and stereochemical restraint analysis of the powder data (d(min) = 3.35 angstrom), resulting in the extraction of reliable lattice parameters and the refinement of the molecular conformation at room temperature. The structure is hexagonal [space group P6(1)22, unit-cell parameters a = 71.0862 (3), c = 85.0276 (5) angstrom] with 12 symmetry-related molecules in the unit cell, in agreement with previous studies. The results of our analysis are indicative of specific amino acids being disordered at this temperature. Upon cooling, a sudden drop in the lattice parameters at similar to 250 K is observed concurrently with the freezing of the mother liquor. The observation of severe peak broadening below this temperature indicates strain effects accompanying the freezing transition, which are found to be reversible. Finally, a correlation between the unit-cell parameters and the pH of the buffer solution is evident, in a similar manner to earlier observations on HEWL. C1 European Synchrotron Radiat Facil, F-38043 Grenoble, France. Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Margiolaki, I (reprint author), European Synchrotron Radiat Facil, BP 220, F-38043 Grenoble, France. EM margiolaki@esrf.fr; wright@esrf.fr RI Wright, Jonathan/A-4321-2010 OI Wright, Jonathan/0000-0002-8217-0884 NR 40 TC 28 Z9 29 U1 0 U2 4 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0907-4449 J9 ACTA CRYSTALLOGR D JI Acta Crystallogr. Sect. D-Biol. Crystallogr. PD APR PY 2005 VL 61 BP 423 EP 432 DI 10.1107/S0907444905001393 PN 4 PG 10 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA 909NW UT WOS:000227867600009 PM 15805597 ER PT J AU McCoy, AJ Grosse-Kunstleve, RW Storoni, LC Read, RJ AF McCoy, AJ Grosse-Kunstleve, RW Storoni, LC Read, RJ TI Likelihood-enhanced fast translation functions SO ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY LA English DT Article ID PANCREATIC TRYPSIN-INHIBITOR; MOLECULAR-REPLACEMENT; CRYSTALLOGRAPHIC STRUCTURE; MACROMOLECULAR STRUCTURES; CRYSTAL-STRUCTURE; SOFTWARE; SEARCH; IMPLEMENTATION; PROGRAM; AMORE AB This paper is a companion to a recent paper on fast rotation functions [Storoni et al. (2004), Acta Cryst. D60, 432-438], which showed how a Taylor-series expansion of the maximum-likelihood rotation function leads to improved likelihood-enhanced fast rotation functions. In a similar manner, it is shown here how linear and quadratic Taylor-series expansions and least-squares approximations of the maximum-likelihood translation function lead to likelihood-enhanced translation functions, which can be calculated by FFT and which are more sensitive to the correct translation than the traditional correlation-coefficient fast translation function. These likelihood-enhanced translation targets for molecular-replacement searches have been implemented in the program Phaser using the Computational Crystallography Toolbox (cctbx). C1 Univ Cambridge, Cambridge Inst Med Res, Dept Haematol, Cambridge CB2 2XY, England. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Read, RJ (reprint author), Univ Cambridge, Cambridge Inst Med Res, Dept Haematol, Wellcome Trust MRC Bldg,Hills Rd, Cambridge CB2 2XY, England. EM rjr27@cam.ac.uk RI Read, Randy/L-1418-2013 OI Read, Randy/0000-0001-8273-0047 FU NIGMS NIH HHS [1P01GM063210] NR 35 TC 1427 Z9 1433 U1 1 U2 31 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 2005 VL 61 BP 458 EP 464 DI 10.1107/S0907444905001617 PN 4 PG 7 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA 909NW UT WOS:000227867600013 PM 15805601 ER PT J AU Walanj, R Young, P Baker, HM Baker, EN Metcalf, P Chow, JW Lerner, S Vakulenko, S Smith, CA AF Walanj, R Young, P Baker, HM Baker, EN Metcalf, P Chow, JW Lerner, S Vakulenko, S Smith, CA TI Purification, crystallization and preliminary X-ray analysis of Enterococcus faecium aminoglycoside2 ''-phosphotransferase-Ib [APH(2 '')-Ib] SO ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY AND CRYSTALLIZATION COMMUNICATIONS LA English DT Article ID GENTAMICIN RESISTANCE GENE; ANTIBIOTIC-RESISTANCE; PROTEIN CRYSTALS; ENZYME; PHOSPHOTRANSFERASE C1 Univ Auckland, Sch Biol Sci, Struct Biol Lab, Auckland 1, New Zealand. Wayne State Univ, Sch Med, Div Infect Dis, Detroit, MI 48201 USA. VA Med Ctr, Detroit, MI USA. Univ Notre Dame, Dept Chem & Biochem, Notre Dame, IN 46556 USA. Stanford Univ, Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. RP Smith, CA (reprint author), Univ Auckland, Sch Biol Sci, Struct Biol Lab, Auckland 1, New Zealand. EM csmith@slac.stanford.edu FU NIAID NIH HHS [R01 AI057393-01A1, R01 AI057393]; Wellcome Trust NR 18 TC 3 Z9 3 U1 0 U2 0 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 1744-3091 J9 ACTA CRYSTALLOGR F JI Acta Crystallogr. F-Struct. Biol. Cryst. Commun. PD APR PY 2005 VL 61 BP 410 EP 413 DI 10.1107/S174430910500775X PN 4 PG 4 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA 970GL UT WOS:000232293200021 PM 16511055 ER PT J AU Cerreta, E Gray, GT Hixson, RS Rigg, PA Brown, DW AF Cerreta, E Gray, GT Hixson, RS Rigg, PA Brown, DW TI The influence of interstitial oxygen and peak pressure on the shock loading behavior of zirconium SO ACTA MATERIALIA LA English DT Article DE dynamic phenomena; phase transformation; zirconium ID STACKING-FAULT ENERGY; CU-AL ALLOYS; MECHANICAL-BEHAVIOR; STRAIN-RATE; CRYSTALLOGRAPHIC ASPECTS; PHASE-TRANSFORMATION; LOADED ZIRCONIUM; OMEGA-PHASE; HCP METALS; DEFORMATION AB The pressure of the alpha-omega phase transition in zirconium is quantified as a function of interstitial content. The pressure increases with increasing interstitial oxygen content and for the high purity (Zr-0) material occurs at 7.1 GPa. Increasing the oxygen content increases the number of octahedral sites occupied; this is postulated to increase the pressure for phase transformation. Deformation behavior and substructural evolution of as-annealed Zr-0 zirconium under quasi-static conditions is compared to its response following shock prestraining at 5.8 and 8 GPa. The reload response of Zr-0 zirconium shock prestrained to 8 GPa exhibits enhanced hardening, while specimens shocked to 5.8 GPa do not when compared to quasi-static constitutive behavior. Published by Elsevier Ltd on behalf of Acta Materialia Inc. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Cerreta, E (reprint author), Los Alamos Natl Lab, MST-8,Mail Stop G755, Los Alamos, NM 87545 USA. EM ecerreta@lanl.gov NR 41 TC 44 Z9 46 U1 1 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 2005 VL 53 IS 6 BP 1751 EP 1758 DI 10.1016/j.actamat.2004.12.024 PG 8 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 905MH UT WOS:000227572000014 ER PT J AU Jang, JI Lance, MJ Wen, SQ Tsui, TY Pharr, GM AF Jang, JI Lance, MJ Wen, SQ Tsui, TY Pharr, GM TI Indentation-induced phase transformations in silicon: influences of load, rate and indenter angle on the transformation behavior SO ACTA MATERIALIA LA English DT Article DE nanoindentation; phase transformations; silicon; Raman spectroscopy ID TRANSMISSION ELECTRON-MICROSCOPY; RAMAN MICROSPECTROSCOPY; HARDNESS INDENTATIONS; NANOINDENTATION; SI; DEFORMATION; AMORPHIZATION; TRANSITIONS; RESISTANCE; GERMANIUM AB Nanoindentation has been used widely to study pressure-induced phase transformations in Si. Here, a new aspect of the behavior is examined by making nanoindentations on (10 0) single crystals using a series of triangular pyramidal indenters with centerline-to-face angles varying from 35.3 degrees to 85.0 degrees. Effects of indenter angle, maximum load, and loading/unloading rate are systematically characterized from nanoindentation load-displacement data in conjunction with micro-Raman imaging spectroscopy of the residual hardness impressions. Results are discussed in terms of prevailing ideas and models for indentation-induced phase transformations in silicon. (c) 2005 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Div Met & Ceram, Oak Ridge, TN 37831 USA. Texas Instruments Inc, Dallas, TX 75243 USA. RP Univ Tennessee, Dept Mat Sci & Engn, 434 Dougherty Engn Bldg, Knoxville, TN 37996 USA. EM pharr@utk.edu RI Jang, Jae-il/A-3486-2011; Lance, Michael/I-8417-2016 OI Jang, Jae-il/0000-0003-4526-5355; Lance, Michael/0000-0001-5167-5452 NR 52 TC 174 Z9 177 U1 7 U2 55 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 PY 2005 VL 53 IS 6 BP 1759 EP 1770 DI 10.1016/j.actamat.2004.12.025 PG 12 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 905MH UT WOS:000227572000015 ER PT J AU Ott, RT Sansoz, F Molinari, JF Almer, J Ramesh, KT Hufnagel, TC AF Ott, RT Sansoz, F Molinari, JF Almer, J Ramesh, KT Hufnagel, TC TI Micromechanics of deformation of metallic-glass-matrix composites from in situ synchrotron strain measurements and finite element modeling SO ACTA MATERIALIA LA English DT Article DE metallic glass; composites; X-ray diffraction; FEM; micromechanics ID DUCTILE PARTICLES; MICROSTRUCTURE AB We have used in situ X-ray scattering and finite element modeling (FEM) to examine the micromechanics of deformation of in situ formed metallic-glass-matrix composites consisting of Ta-rich particles dispersed in an amorphous matrix. The strain measurements show that under uniaxial compression the second-phase particles yield at an applied stress of similar to 325 MPa. After yielding, the particles do not strain hardon significantly; we show that this is due to an increasingly hydrostatic stress state arising from the lateral constraint on deformation of the particles imposed by the elastic matrix. Shear band initiation in the matrix is not due to the difference in elastic properties between the matrix and the particles. Rather, the development of a plastic misfit strain causes stress concentrations around the particles, resulting in localized yielding of the matrix by shear band formation at an applied stress of similar to 1450 MPa, considerably lower than the macroscopic yield stress of the composite (similar to 1725 MPa). Shear bands do not propagate at the lower stress because the yield criterion of the matrix is only satisfied in the region immediately around the particles. At the higher stresses, the yield criterion is satisfied in large regions of the matrix, allowing extensive shear band propagation and significant macroscopic plastic deformation. However, the presence of the particles makes the stress state highly inhomogeneous, which may partially explain why fracture is suppressed in the composite, allowing the development of large plastic strains. (c) 2005 Acta Materialia, Inc. Published by Elsevier Ltd. All rights reserved. C1 Johns Hopkins Univ, Dept Mat Sci & Engn, Baltimore, MD 21218 USA. Univ Vermont, Dept Mech Engn, Burlington, VT 05405 USA. Johns Hopkins Univ, Dept Mech Engn, Baltimore, MD 21218 USA. Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Ott, RT (reprint author), Ames Natl Lab, 105 Met Dev, Ames, IA 50011 USA. EM rtott@ameslab.gov RI Sansoz, Frederic/A-3204-2008; Hufnagel, Todd/A-3309-2010 OI Sansoz, Frederic/0000-0002-2782-1832; Hufnagel, Todd/0000-0002-6373-9377 NR 21 TC 62 Z9 68 U1 3 U2 29 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 2005 VL 53 IS 7 BP 1883 EP 1893 DI 10.1016/j.actamat.2004.12.037 PG 11 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 914PJ UT WOS:000228239600002 ER PT J AU Wang, CM Azad, S Shutthanandan, V McCready, DE Peden, CHF Saraf, L Thevuthasan, S AF Wang, CM Azad, S Shutthanandan, V McCready, DE Peden, CHF Saraf, L Thevuthasan, S TI Microstructure of ZrO2-CeO2 hetero-multi-layer films grown on YSZ substrate SO ACTA MATERIALIA LA English DT Article DE nano film; ZrO2/CeO2; TEM ID YTTRIA-STABILIZED ZIRCONIA; ENERGY-LOSS SPECTROSCOPY; X-RAY-DIFFRACTION; EPITAXIAL NB-AL2O3 INTERFACES; TETRAGONAL PHASE-TRANSITION; ZRO2-YO1.5 SOLID-SOLUTIONS; CUBIC PHASE; ELECTRON-DIFFRACTION; MISFIT DISLOCATIONS; IONIC-CONDUCTIVITY AB Multi-layer films of pure ZrO2 and CeO2, were grown using oxygen plasma assisted molecular beam epitaxy on yttria stabilized zirconia substrates. The microstructure of the film was analyzed using X-ray diffraction, conventional and high-resolution transmission electron microscopy, electron energy-loss spectroscopy, energy dispersive X-ray elemental mapping, selected area electron diffraction, and dynamical electron diffraction calculations. The deposited pure CeO2 layers exist in the cubic fluorite structure, and the ZrO2 layers show a good epitaxial orientation with respect to the CeO2 layers. However, distinctive forbidden diffraction spots of (odd, odd, even) type were observed on the selected area electron diffraction patterns of the film. Dark-field imaging clearly reveals that these forbidden diffraction spots were contributed solely by the ZrO2 layers. Dynamical electron diffraction calculation based on the tetragonal phase of unity tetragonality (space group P4(2)/nmc) with oxygen displaced along the c-axis does not match with the experimental pattern. Instead, a diffraction pattern calculated based on a cubic structure (space group P43m) for which the oxygen sub-lattice was displaced along the < 111 > matches with the experimental data. it is further suggested that the displacement of the oxygen from the ideal (1/4, 1/4, 1/4) position was introduced during the film growth process. (c) 2005 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RP Pacific NW Natl Lab, Environm Mol Sci Lab, 3335 Q Ave,MSIN K8-93, Richland, WA 99352 USA. EM chongmin.wang@pnl.gov RI Albe, Karsten/F-1139-2011; OI Peden, Charles/0000-0001-6754-9928 NR 50 TC 16 Z9 16 U1 6 U2 25 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 PY 2005 VL 53 IS 7 BP 1921 EP 1929 DI 10.1016/j.actamat.2005.01.003 PG 9 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 914PJ UT WOS:000228239600006 ER PT J AU Zepeda-Ruiz, LA Rottler, J Wirth, BD Car, R Srolovitz, DJ AF Zepeda-Ruiz, LA Rottler, J Wirth, BD Car, R Srolovitz, DJ TI Self-interstitial transport in vanadium SO ACTA MATERIALIA LA English DT Article DE molecular dynamics simulation; vanadium; interstitial; diffusion; dislocation loop ID EMBEDDED-ATOM METHOD; MOLECULAR-DYNAMICS CALCULATIONS; COMPUTER-SIMULATION; DISPLACEMENT CASCADES; FUSION APPLICATIONS; RADIATION-DAMAGE; BCC IRON; METALS; CLUSTERS; DIFFUSION AB We study the diffusion of self-interstitial atoms (SIAs) and SIA clusters in vanadium via molecular dynamics simulations with an improved Finnis-Sinclair potential (fit to first-principles results for SIA structure and energetics). The present results demonstrate that single SIAs exist in a < 111 >-dumbbell configuration and migrate easily along < 111 > directions. Changes of direction through rotations into other < 111 > directions are infrequent at low temperatures, but become prominent at higher temperatures, thereby changing the migration path from predominantly one-dimensional to almost isotropically three-dimensional. SIA clusters (i.e., clusters of < 111 >-dumbbells) cart be described as perfect prismatic dislocation loops with Burgers vector and habit planes of 1/2 < 111 >{220} that migrate only along their glide cylinder. SIA clusters also migrate along < 111 >-directions, but do not rotate. Both single SIAs and their clusters exhibit a highly non-Arrhenius diffusivity, which originates from a combination of a temperature dependent correlation factor and the presence of very low migration barriers. At low temperature, the diffusion is approximately Arrhenius, while above room temperature, the diffusivity is a linear function of temperature. A simple model is proposed to describe these diffusion regimes and the transition between them. (c) 2005 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 Lawrence Livermore Natl Lab, Chem & Mat Sci Directorate, Livermore, CA 94550 USA. Princeton Univ, Princeton Inst Sci & Technol Mat, PRISM, Princeton, NJ 08544 USA. Univ Calif Berkeley, Dept Nucl Engn, Berkeley, CA 94720 USA. RP Zepeda-Ruiz, LA (reprint author), Lawrence Livermore Natl Lab, Chem & Mat Sci Directorate, POB 808, Livermore, CA 94550 USA. EM zepedaruiz1@llnl.gov RI Rottler, Joerg/L-5539-2013; Wirth, Brian/O-4878-2015 OI Rottler, Joerg/0000-0002-5273-7480; Wirth, Brian/0000-0002-0395-0285 NR 37 TC 15 Z9 16 U1 4 U2 17 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 2005 VL 53 IS 7 BP 1985 EP 1994 DI 10.1016/j.actamat.2005.01.010 PG 10 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 914PJ UT WOS:000228239600012 ER PT J AU Jiang, C Besser, MF Sordelet, DJ Gleeson, B AF Jiang, C Besser, MF Sordelet, DJ Gleeson, B TI A combined first-principles and experimental study of the lattice site preference of Pt in B2NiAl SO ACTA MATERIALIA LA English DT Article DE site preference; platinum; nickel aluminides; point defects; first-principle electron theory ID TRANSITION-METAL ALUMINIDES; THERMAL POINT-DEFECTS; AUGMENTED-WAVE METHOD; FEAL; ADDITIONS; VACANCIES; PLATINUM; SOLIDS; ENERGY; ATOMS AB First-principles supercell calculations were undertaken to determine the site preference of Pt in the B2 NiAl lattice structure. The results from these calculations were compared to structural analysis results from high-energy X-ray diffraction experiments. The calculations showed that, at T = 0 K, Pt always has a preference for the Ni sublattice in B2 NiAl, with such a preference being quite strong in Al-rich NiAl, but relatively weak in Ni-rich and stoichiometric NiAl. To predict the site occupation of Pt in B2 NiAl at finite temperatures, a statistical mechanical Wagner Schottky model was used in which the formation enthalpies of point defects were determined from the present first-principles calculations. Calculations at T = 1273 K again showed a consistent preference of Pt for the Ni sublattice in Al-rich, Ni-rich and stoichiometric B2 NiAl. The results from these latter calculations were found to be in very good agreement with those from experiment. (c) 2005 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 Iowa State Univ Sci & Technol, Dept Mat Sci & Engn, Ames, IA 50011 USA. US DOE, Mat & Engn Phys Program, Ames Lab, Ames, IA 50011 USA. RP Jiang, C (reprint author), Iowa State Univ Sci & Technol, Dept Mat Sci & Engn, Ames, IA 50011 USA. EM chaoisu@iastate.edu RI Jiang, Chao/A-2546-2011 NR 32 TC 51 Z9 51 U1 0 U2 9 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 PY 2005 VL 53 IS 7 BP 2101 EP 2109 DI 10.1016/j.actamat.2004.12.038 PG 9 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 914PJ UT WOS:000228239600023 ER PT J AU Li, SY Beyerlein, IJ Alexander, DJ Vogel, SC AF Li, SY Beyerlein, IJ Alexander, DJ Vogel, SC TI Texture evolution during multi-pass equal channel angular extrusion of copper: Neutron diffraction characterization and polycrystal modeling SO ACTA MATERIALIA LA English DT Article DE texture; severe plastic deformation; neutron diffraction; polycrystal plasticity; ultrafine grained materials ID PLASTIC-DEFORMATION; SIMPLE SHEAR; ALUMINUM; STRAIN; ALLOYS; FLOW AB Experimental characterization and polycrystal modeling of texture evolution in pure copper during equal channel angular extrusion (ECAE) via routes B-C (1, 2, 4, 8 and 16 passes) and C (1-4 passes) are conducted. Rigorous analysis of bulk textures measured by neutron diffraction is performed for the two routes. Textures in route Bc show orientation concentrations along fibers that consist of the {1 1 1}(0) and < 1 1 0 >(0) partial fibers, yet the locations and orientation densities of the main texture components vary significantly with pass number. For route C, the first pass texture is retained in subsequent passes, apart from slight variations in the strengths of the main texture components. Quantitatively good texture predictions for all passes in route Bc and odd-numbered passes in route C are obtained using a viscoplastic self-consistent model with a grain co-rotation scheme and a simple shear deformation history though they are further improved when the deformation is provided by finite element (FE) simulations. For the even numbered passes in route C, however, the simple shear deformation is not sufficient; the complex and inhomogeneous deformation captured by FE simulations is important for reproducing the retained shear texture. Regardless of the deformation history used, the full constraints Taylor model is shown to be insufficient for texture predictions in multi-pass ECAE. Published by Elsevier Ltd on behalf of Acta Materialia Inc. C1 Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. RP Li, SY (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, MS H805, Los Alamos, NM 87545 USA. EM saiyi@lanl.gov RI Lujan Center, LANL/G-4896-2012; Li, Saiyi/J-3968-2012; Beyerlein, Irene/A-4676-2011; OI Vogel, Sven C./0000-0003-2049-0361 NR 41 TC 103 Z9 107 U1 1 U2 9 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 2005 VL 53 IS 7 BP 2111 EP 2125 DI 10.1016/j.actamat.2005.01.023 PG 15 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 914PJ UT WOS:000228239600024 ER PT J AU Buehler, MJ Hartmaier, A Duchaineau, MA Abraham, FR Gao, HJ AF Buehler, MJ Hartmaier, A Duchaineau, MA Abraham, FR Gao, HJ TI The dynamical complexity of work-hardening: a large-scale molecular dynamics simulation SO ACTA MECHANICA SINICA LA English DT Article DE work-hardening; large-scale atomistic simulation; dislocation junction; cross-slip ID ATOMISTIC SIMULATIONS; CROSS-SLIP; DISLOCATION NUCLEATION; VACANCY FORMATION; FCC METALS; COPPER; DEFORMATION; ANNIHILATION; PLASTICITY; STRENGTH AB We analyze a large-scale molecular dynamics simulation of work hardening in a model system of a ductile solid. With tensile loading, we observe emission of thousands of dislocations from two sharp cracks. The dislocations interact in a complex way, revealing three fundamental mechanisms of work-hardening in this ductile material. These are (1) dislocation cutting processes, jog formation and generation of trails of point defects; (2) activation of secondary slip systems by Frank-Read and cross-slip mechanisms; and (3) formation of sessile dislocations such as Lomer-Cottrell locks. We report the discovery of a new class of point defects referred to as trail of partial point defects, which could play an important role in situations when partial dislocations dominate plasticity. Another important result of the present work is the rediscovery of the Fleischer-mechanism of cross-slip of partial dislocations that was theoretically proposed more than 50 years ago, and is now, for the first time, confirmed by atomistic simulation. On the typical time scale of molecular dynamics simulations, the dislocations self-organize into a complex sessile defect topology. Our analysis illustrates numerous mechanisms formerly only conjectured in textbooks and observed indirectly in experiments. It is the first time that such a rich set of fundamental phenomena have been revealed in a single computer simulation, and its dynamical evolution has been studied. The present study exemplifies the simulation and analysis of the complex nonlinear dynamics of a many-particle system during failure using ultra-large scale computing. C1 Max Planck Inst Met Res, D-70569 Stuttgart, Germany. CALTECH, Pasadena, CA 91125 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. IBM Corp, Almaden Res Ctr, San Jose, CA 95120 USA. RP Gao, HJ (reprint author), Max Planck Inst Met Res, Heisenbergstr 3, D-70569 Stuttgart, Germany. EM hjgao@mf.mpg.de RI Buehler, Markus/C-4580-2008; Gao, Huajian/F-9360-2010; Hartmaier, Alexander/O-2087-2013 OI Buehler, Markus/0000-0002-4173-9659; Hartmaier, Alexander/0000-0002-3710-1169 NR 35 TC 21 Z9 21 U1 1 U2 22 PU CHINESE JOURNAL MECHANICS PRESS PI BEIJING PA 15 ZHONG-GUAN-CUN ST, BEIJING 100080, PEOPLES R CHINA SN 0567-7718 J9 ACTA MECH SINICA JI Acta Mech. Sin. PD APR PY 2005 VL 21 IS 2 BP 103 EP 111 DI 10.1007/s10409-005-0019-9 PG 9 WC Engineering, Mechanical; Mechanics SC Engineering; Mechanics GA 926DM UT WOS:000229103100001 ER PT J AU Fallon, P AF Fallon, P TI Spectroscopy of strongly deformed nuclei - From super to hyperdeformation SO ACTA PHYSICA POLONICA B LA English DT Article; Proceedings Paper CT 39th Zakopane School of Physics International Symposium CY AUG 31-SEP 05, 2004 CL Zakopane, POLAND SP Inst Fizyki Jadrowej PAN, Univ Jagiellonski, Inst Fizyki, Gesell Schwerionenforsch mbH, Komitet Fizyki PAN, ORTEC-AMETEK Grp Poland ID FISSION; BANDS AB It is possible that some nuclei may attain even greater quadrupole deformations than those observed in superdeformed nuclei and the search for such hyperdeformed shapes has been a goal of nuclear structure for many years. In this talk I will discuss recent developments in the experimental study of superdeformed nuclei and in particular the search for the more exotic hyperdeformed nuclei. I will begin by briefly reviewing the basic concepts connected with nuclei at extreme deformations and introduce the use of intruder occupancy as a method to classify the nuclear shape (normal, super, or hyperdeformed) before turning.,to our recent attempts to extend these studies from super to hyperdeformations; the focus will be on our work in the cadmium and tin region. Finally, I will say a few words on future prospects. 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. NR 29 TC 4 Z9 4 U1 0 U2 2 PU WYDAWNICTWO UNIWERSYTETU JAGIELLONSKIEGO PI KRAKOW PA UL GRODZKA 26, KRAKOW, 31044, POLAND SN 0587-4254 J9 ACTA PHYS POL B JI Acta Phys. Pol. B PD APR PY 2005 VL 36 IS 4 BP 1003 EP 1013 PG 11 WC Physics, Multidisciplinary SC Physics GA 910AW UT WOS:000227902800003 ER PT J AU Al-Khatib, A Singh, AK Hubel, H Bringel, P Burger, A Neusser, A Schonwasser, G Hagemann, CB Hansen, CR Herskind, B Sletten, G Algora, A Dombradi, Z Gal, J Kalinka, G Molnar, J Nyako, BM Sohler, D Timar, J Zolnai, L Kmiecik, M Maj, A Styczen, J Zuber, K Hauschild, K Korichi, A Lopez-Martens, A Roccaz, J Siem, S Hannachi, F Scheurer, JN Bednarczyk, P Byrski, T Curien, D Dorvaux, O Duchene, G Gall, B Khalfallah, F Piqueras, I Robin, J Juhasz, K Patel, SB Evans, AO Rainovski, G Airoldi, A Benzoni, G Bracco, A Camera, F Million, B Mason, P Paleni, A Sacchi, R Wieland, O Petrache, CM Petrache, D La Rana, G Moro, R De Angelis, G Fallon, P Lee, IY Lisle, JC Cederwall, B Lagergren, K Lieder, RM Podsvirova, E Gast, W Jager, H Redon, N Gorgen, A AF Al-Khatib, A Singh, AK Hubel, H Bringel, P Burger, A Neusser, A Schonwasser, G Hagemann, CB Hansen, CR Herskind, B Sletten, G Algora, A Dombradi, Z Gal, J Kalinka, G Molnar, J Nyako, BM Sohler, D Timar, J Zolnai, L Kmiecik, M Maj, A Styczen, J Zuber, K Hauschild, K Korichi, A Lopez-Martens, A Roccaz, J Siem, S Hannachi, F Scheurer, JN Bednarczyk, P Byrski, T Curien, D Dorvaux, O Duchene, G Gall, B Khalfallah, F Piqueras, I Robin, J Juhasz, K Patel, SB Evans, AO Rainovski, G Airoldi, A Benzoni, G Bracco, A Camera, F Million, B Mason, P Paleni, A Sacchi, R Wieland, O Petrache, CM Petrache, D La Rana, G Moro, R De Angelis, G Fallon, P Lee, IY Lisle, JC Cederwall, B Lagergren, K Lieder, RM Podsvirova, E Gast, W Jager, H Redon, N Gorgen, A TI High-spin states in Ba-124 SO ACTA PHYSICA POLONICA B LA English DT Article; Proceedings Paper CT 39th Zakopane School of Physics International Symposium CY AUG 31-SEP 05, 2004 CL Zakopane, POLAND SP Inst Fizyki Jadrowej PAN, Univ Jagiellonski, Inst Fizyki, Gesell Schwerionenforsch mbH, Komitet Fizyki PAN, ORTEC-AMETEK Grp Poland ID GAMMA-RAY SPECTROSCOPY; BA-CE-REGION; BANDS; SPECTROMETER; NUCLEI; SHAPES AB High-spin states in Ba-124 were populated using the Ni-64 (Ni-64,4n) Ba-124 reaction at beam energies of 255 and 261 MeV. Gamma-ray coincidences were measured using the EUROBALL detector array. The charged-particle detector array DIAMANT provided channel selection. The previously known rotational bands are extended to higher spins. Five new hands are observed, one of them extends up to the spin 40h region. C1 Univ Bonn, Helmholtz Inst Strahlen & Kernphys, D-5300 Bonn, Germany. Niels Bohr Inst, DK-2100 Copenhagen, Denmark. Hungarian Acad Sci, Inst Nucl Res, Debrecen, Hungary. PAN, Inst Nucl Phys, Krakow, Poland. CSNSM Orsay, IN2P3, CNRS, Orsay, France. Ctr Etud Nucl Bordeaux Gradignan, Gradignan, France. CNRS, IReS, IN2P3, Strasbourg, France. Univ Debrecen, Debrecen, Hungary. Univ Bombay, Dept Phys, Bombay 400098, Maharashtra, India. Univ Liverpool, Oliver Lodge Lab, Liverpool L69 3BX, Merseyside, England. Univ Milan, Dipartimento Fis, I-20122 Milan, Italy. Univ Camerino, Dipartimento Fis, I-62032 Camerino, Italy. Univ Naples Federico 2, Dipartimento Sci Fisiche, I-80138 Naples, Italy. Lawrence Berkeley Natl Lab, Berkeley, CA USA. Univ Manchester, Schuster Lab, Manchester M13 9PL, Lancs, England. Royal Inst Technol, Dept Phys, S-10044 Stockholm, Sweden. Forschungszentrum Julich, Inst Kernphys, Julich, Germany. Univ Lyon 1, IPN Lyon, IN2P3, CNRS, F-69622 Villeurbanne, France. CEA Saclay, DAPNIA, SPhN, Gif Sur Yvette, France. RP Al-Khatib, A (reprint author), Univ Bonn, Helmholtz Inst Strahlen & Kernphys, D-5300 Bonn, Germany. RI Hauschild, Karl/A-6726-2009; Wieland, Oliver/G-1784-2011; Dombradi, Zsolt/B-3743-2012; Petrache, Costel/E-9867-2012; CURIEN, Dominique/B-6718-2013; Cederwall, Bo/M-3337-2014; Algora, Alejandro/E-2960-2015; Rainovski, Georgi/A-3450-2008; OI Petrache, Costel/0000-0001-8419-1390; Cederwall, Bo/0000-0003-1771-2656; Algora, Alejandro/0000-0002-5199-1794; Rainovski, Georgi/0000-0002-1729-0249; Gorgen, Andreas/0000-0003-1916-9941 NR 11 TC 2 Z9 2 U1 0 U2 2 PU WYDAWNICTWO UNIWERSYTETU JAGIELLONSKIEGO PI KRAKOW PA UL GRODZKA 26, KRAKOW, 31044, POLAND SN 0587-4254 J9 ACTA PHYS POL B JI Acta Phys. Pol. B PD APR PY 2005 VL 36 IS 4 BP 1029 EP 1032 PG 4 WC Physics, Multidisciplinary SC Physics GA 910AW UT WOS:000227902800005 ER PT J AU Nyako, BM Papp, F Gal, J Molnar, J Timar, J Algora, A Dombradi, Z Kalinka, G Zolnai, L Juhasz, K Singh, AK Hubel, H Al-Khatib, A Bringel, P Burger, A Neusser, A Schonwasser, G Herskind, B Hagemann, GB Hansen, CR Sletten, G Scheurer, JN Hannachi, F Kmiecik, M Maj, A Styczen, J Zuber, K Hauschild, K Korichi, A Lopez-Martens, A Roccaz, J Siem, S Bednarczyk, P Byrski, T Curien, D Dorvaux, O Duchene, G Gall, B Khalfallah, F Piqueras I Robin, J Patel, SB Evans, AO Rainovski, C Airoldi, A Benzoni, G Bracco, A Camera, F Million, B Mason, P Paleni, A Sacchi, R Wieland, O La Rana, G Moro, R Petrache, CM Petrache, D De Angelis, G Fallon, P Lee, IY Lisle, JC Cederwall, B Lagergren, K Lieder, RM Podsvirova, E Gast, W Jager, H Redon, N Gorgen, A AF Nyako, BM Papp, F Gal, J Molnar, J Timar, J Algora, A Dombradi, Z Kalinka, G Zolnai, L Juhasz, K Singh, AK Hubel, H Al-Khatib, A Bringel, P Burger, A Neusser, A Schonwasser, G Herskind, B Hagemann, GB Hansen, CR Sletten, G Scheurer, JN Hannachi, F Kmiecik, M Maj, A Styczen, J Zuber, K Hauschild, K Korichi, A Lopez-Martens, A Roccaz, J Siem, S Bednarczyk, P Byrski, T Curien, D Dorvaux, O Duchene, G Gall, B Khalfallah, F Piqueras, I Robin, J Patel, SB Evans, AO Rainovski, C Airoldi, A Benzoni, G Bracco, A Camera, F Million, B Mason, P Paleni, A Sacchi, R Wieland, O La Rana, G Moro, R Petrache, CM Petrache, D De Angelis, G Fallon, P Lee, IY Lisle, JC Cederwall, B Lagergren, K Lieder, RM Podsvirova, E Gast, W Jager, H Redon, N Gorgen, A TI Search for hyperdeformation in light Xe nuclei SO ACTA PHYSICA POLONICA B LA English DT Article; Proceedings Paper CT 39th Zakopane School of Physics International Symposium CY AUG 31-SEP 05, 2004 CL Zakopane, POLAND SP Inst Fizyki Jadrowej PAN, Univ Jagiellonski, Inst Fizyki, Gesell Schwerionenforsch mbH, Komitet Fizyki PAN, ORTEC-AMETEK Grp Poland ID JACOBI TRANSITIONS; EUROBALL AB The ultimate search for hyperdeformation (HD) at high spins with the EUROBALL spectrometer was performed for (126)Ba as a hyper long (HLHD) experiment. The DIAMANT ancillary detector was used to tag gamma-rays in coincidence with the emitted light charged particles. Using gamma-energy correlation methods, the particle-xn-gamma data have been analysed to search for hyperdeformed structures in the corresponding residual nuclei. Data in coincidence with one alpha particle indicate the presence of normal deformed collective bands up to very high spins and the possible occurrence of HD-like ridge structures in (122)Xe. C1 Inst Nucl Res, ATOMKI, H-4001 Debrecen, Hungary. Univ Debrecen, Fac Informat, Debrecen, Hungary. Univ Bonn, Helmholtz Inst Strahlen & Kernphys, D-5300 Bonn, Germany. Niels Bohr Inst, DK-2100 Copenhagen, Denmark. Ctr Etud Nucl Bordeaux Gradignan, Gradignan, France. PAN, H Niewodniczanski Inst Nucl Phys, Krakow, Poland. CSNSM Orsay, CNRS, IN2P3, Orsay, France. CNRS, IN2P3, IReS, Strasbourg, France. Univ Bombay, Dept Phys, Bombay 400098, Maharashtra, India. Univ Liverpool, Oliver Lodge Lab, Liverpool L69 3BX, Merseyside, England. Univ Milan, Dipartimento Fis, I-20122 Milan, Italy. Univ Naples Federico 2, Dipartimento Sci Fisiche, I-80138 Naples, Italy. Univ Camerino, Dipartimento Fis, I-62032 Camerino, Italy. Lawrence Berkeley Natl Lab, Berkeley, CA USA. Univ Manchester, Schuster Lab, Manchester M13 9PL, Lancs, England. Royal Inst Technol, Dept Phys, S-10044 Stockholm, Sweden. Univ Lyon 1, IPN Lyon, IN2P3, CNRS, F-69622 Villeurbanne, France. Forschungszentrum Julich, Inst Kernphys, Julich, Germany. CEA Saclay, DAPNIA, SPhN, Gif Sur Yvette, France. RP Nyako, BM (reprint author), Inst Nucl Res, ATOMKI, H-4001 Debrecen, Hungary. RI Hauschild, Karl/A-6726-2009; Wieland, Oliver/G-1784-2011; Dombradi, Zsolt/B-3743-2012; CURIEN, Dominique/B-6718-2013; Petrache, Costel/E-9867-2012; Cederwall, Bo/M-3337-2014; Algora, Alejandro/E-2960-2015; OI Petrache, Costel/0000-0001-8419-1390; Cederwall, Bo/0000-0003-1771-2656; Algora, Alejandro/0000-0002-5199-1794; Gorgen, Andreas/0000-0003-1916-9941; benzoni, giovanna/0000-0002-7938-0338 NR 14 TC 10 Z9 10 U1 0 U2 4 PU POLISH ACAD SCIENCES INST PHYSICS PI WARSAW PA AL LOTNIKOW 32-46, PL-02-668 WARSAW, POLAND SN 0587-4254 J9 ACTA PHYS POL B JI Acta Phys. Pol. B PD APR PY 2005 VL 36 IS 4 BP 1033 EP 1038 PG 6 WC Physics, Multidisciplinary SC Physics GA 910AW UT WOS:000227902800006 ER PT J AU Siem, S Guttormsen, M Algin, E Agvaanluvsan, U Belgya, T Chankova, R Mitchell, G Bernstein, LA Rekstad, J Schiller, A Sunde, AC Syed, N Voinov, A AF Siem, S Guttormsen, M Algin, E Agvaanluvsan, U Belgya, T Chankova, R Mitchell, G Bernstein, LA Rekstad, J Schiller, A Sunde, AC Syed, N Voinov, A TI Soft resonances in hot nuclei SO ACTA PHYSICA POLONICA B LA English DT Article; Proceedings Paper CT 39th Zakopane School of Physics International Symposium CY AUG 31-SEP 05, 2004 CL Zakopane, POLAND SP Inst Fizyki Jadrowej PAN, Univ Jagiellonski, Inst Fizyki, Gesell Schwerionenforsch mbH, Komitet Fizyki PAN, ORTEC-AMETEK Grp Poland AB The pygmy resonance at 3.3(1) MeV in Yb-172 has now been established with a strength of B(M1) = 6.5(15)mu(N)(2) and M1 multipolarity. In addition, a strong unexpected enhancement of the radiative strength function has been found at low gamma-ray energy in medium light Fe nuclei and also in the heavier Mo nuclei. C1 Univ Oslo, Dept Phys, N-0316 Oslo, Norway. Osmangazi Univ, Dept Phys, TR-26480 Meselik, Eskisehir, Turkey. Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. N Carolina State Univ, Raleigh, NC 27695 USA. Triangle Univ Nucl Lab, Durham, NC 27708 USA. Hungarian Acad Sci, Inst Chem Res, Inst Isotopes, H-1525 Budapest, Hungary. Joint Inst Nucl Res, Frank Lab Neutron Phys, Dubna 141980, Russia. Ohio Univ, Dept Phys & Astron, Athens, OH 45701 USA. RP Siem, S (reprint author), Univ Oslo, Dept Phys, POB 1048, N-0316 Oslo, Norway. NR 11 TC 2 Z9 2 U1 0 U2 2 PU ACTA PHYSICA POLONICA B, JAGELLONIAN UNIV, INST PHYSICS PI KRAKOW PA REYMONTA 4, 30-059 KRAKOW, POLAND SN 0587-4254 J9 ACTA PHYS POL B JI Acta Phys. Pol. B PD APR PY 2005 VL 36 IS 4 BP 1089 EP 1093 PG 5 WC Physics, Multidisciplinary SC Physics GA 910AW UT WOS:000227902800013 ER PT J AU Regan, PH Wheldon, C Yamamoto, AD Valiente-Dobon, JJ Cline, D Wu, CY Macchiavelli, AO Xu, FR Smith, JF Andgren, K Chakrawarthy, RS Cromaz, M Fallon, P Freeman, SJ Gorgen, A Hayes, A Hua, H Langdown, SD Lee, IY Pearson, CJ Podolyak, Z Teng, R AF Regan, PH Wheldon, C Yamamoto, AD Valiente-Dobon, JJ Cline, D Wu, CY Macchiavelli, AO Xu, FR Smith, JF Andgren, K Chakrawarthy, RS Cromaz, M Fallon, P Freeman, SJ Gorgen, A Hayes, A Hua, H Langdown, SD Lee, IY Pearson, CJ Podolyak, Z Teng, R TI Vibrational and rotational sequences in Mo-101 and Ru-103,Ru-4 studied via multinucleon transfer reactions SO ACTA PHYSICA POLONICA B LA English DT Article; Proceedings Paper CT 39th Zakopane School of Physics International Symposium CY AUG 31-SEP 05, 2004 CL Zakopane, POLAND SP Inst Fizyki Jadrowej PAN, Univ Jagiellonski, Inst Fizyki, Gesell Schwerionenforsch mbH, Komitet Fizyki PAN, ORTEC-AMETEK Grp Poland ID DEEP-INELASTIC REACTIONS; HEAVY-ION COLLISIONS; GAMMA-RAY; NUCLEI; DEFORMATION; REGION; SPECTROSCOPY; COINCIDENCE; EXCITATION; EVOLUTION AB The near-yrast states of Mo-101(42)59 and Ru-103,4(44)59,60 have been studied following their population via heavy-ion multinucleon transfer reactions between a Xe-136 beam and a thin, self-supporting Mo-100 target. The ground state sequence in Ru-104 can be understood as demonstrating a simple evolution from a quasi-vibrational structure at lower spins to statically deformed, quasi-rotational excitation involving the population of a pair of low-Omega h(11/2) neutron orbitals. The effect of the decoupled h(11/2) orbital on this vibration-to-rotational evolution is demonstrated by an extension of the "E-GOS" prescription to include odd-A nuclei. The experimental results are also compared with self-consistent Total Routhian Surface calculations which also highlight the polarising role of the highly aligned neutron h(11/2) orbital in these nuclei. C1 Univ Surrey, Dept Phys, Guildford GU2 7XH, Surrey, England. Yale Univ, WNSL, New Haven, CT 06520 USA. Hahn Meitner Inst Berlin GmbH, D-14109 Berlin, Germany. Univ Guelph, Dept Phys, Guelph, ON N1G 2W1, Canada. Univ Rochester, Dept Phys, Rochester, NY 14627 USA. Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. Peking Univ, Dept Tech Phys, Beijing 100871, Peoples R China. Univ Manchester, Dept Phys & Astron, Manchester M13 9PL, Lancs, England. Royal Inst Technol, Dept Phys, S-10691 Stockholm, Sweden. TRIUMF, Vancouver, BC V6T 2A3, Canada. RP Regan, PH (reprint author), Univ Surrey, Dept Phys, Guildford GU2 7XH, Surrey, England. RI Freeman, Sean/B-1280-2010; Wheldon, Carl/F-9203-2013; Xu, Furong/K-4178-2013; OI Freeman, Sean/0000-0001-9773-4921; Gorgen, Andreas/0000-0003-1916-9941 NR 40 TC 5 Z9 5 U1 0 U2 2 PU ACTA PHYSICA POLONICA B, JAGELLONIAN UNIV, INST PHYSICS PI KRAKOW PA REYMONTA 4, 30-059 KRAKOW, POLAND SN 0587-4254 J9 ACTA PHYS POL B JI Acta Phys. Pol. B PD APR PY 2005 VL 36 IS 4 BP 1313 EP 1322 PG 10 WC Physics, Multidisciplinary SC Physics GA 910AW UT WOS:000227902800042 ER PT J AU Valiente-Dobon, JJ Svensson, CE O'Leary, CD Ragnarsson, I Andreoiu, C Austin, RAE Carpenter, MP Dashdorj, D Finlay, P Freeman, SJ Garrett, PE Gorgen, A Greene, J Grinyer, GF Hyland, B Jenkins, D Johnston-Theasby, F Joshi, P Kelsall, NS Macchiavelli, AO Moore, F Mukherjee, G Phillips, AA Reviol, W Sarantites, D Schumaker, MA Seweryniak, D Smith, MB Wadsworth, R Ward, D AF Valiente-Dobon, JJ Svensson, CE O'Leary, CD Ragnarsson, I Andreoiu, C Austin, RAE Carpenter, MP Dashdorj, D Finlay, P Freeman, SJ Garrett, PE Gorgen, A Greene, J Grinyer, GF Hyland, B Jenkins, D Johnston-Theasby, F Joshi, P Kelsall, NS Macchiavelli, AO Moore, F Mukherjee, G Phillips, AA Reviol, W Sarantites, D Schumaker, MA Seweryniak, D Smith, MB Wadsworth, R Ward, D TI Lifetimes of high-spin states in Kr-76 SO ACTA PHYSICA POLONICA B LA English DT Article; Proceedings Paper CT 39th Zakopane School of Physics International Symposium CY AUG 31-SEP 05, 2004 CL Zakopane, POLAND SP Inst Fizyki Jadrowej PAN, Univ Jagiellonski, Inst Fizyki, Gesell Schwerionenforsch mbH, Komitet Fizyki PAN, ORTEC-AMETEK Grp Poland ID ROTATIONAL BANDS; COLLECTIVITY; TRANSITIONS; TERMINATION; REGION AB High-spin states in Kr-76(36)40 have been populated in the Ca-40 (Ca-40,4p) Kr-76 fusion-evaporation reaction at a beam energy of 165 MeV, and studied using the GAMMASPHERE and MICROBALL multi-detector arrays. The ground-state band and two signature-split negative-parity bands of Kr-76 have been extended to similar to 30h. Lifetime measurements using the Doppler-shift attenuation method indicate that the transition quadrupole moment of these three bands decrease as they approach their maximum-spin states. C1 Univ Guelph, Dept Phys, Guelph, ON N1G 2W1, Canada. Univ York, Dept Phys, York YO10 5DD, N Yorkshire, England. Lund Inst Technol, Dept Phys, S-22100 Lund, Sweden. Univ Liverpool, Oliver Lodge Lab, Liverpool L69 3BX, Merseyside, England. McMaster Univ, Hamilton, ON L8S 4K1, Canada. Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. N Carolina State Univ, Raleigh, NC 27695 USA. Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. CEA Saclay, DAPNIA SPhN, F-91191 Gif Sur Yvette, France. Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Washington Univ, Dept Chem, St Louis, MO 63130 USA. TRIUMF, Vancouver, BC V6T 2A3, Canada. RP Valiente-Dobon, JJ (reprint author), Univ Guelph, Dept Phys, Guelph, ON N1G 2W1, Canada. RI Freeman, Sean/B-1280-2010; Carpenter, Michael/E-4287-2015; OI Freeman, Sean/0000-0001-9773-4921; Carpenter, Michael/0000-0002-3237-5734; Smith, Martin/0000-0003-0834-1574; Gorgen, Andreas/0000-0003-1916-9941 NR 13 TC 1 Z9 1 U1 0 U2 1 PU ACTA PHYSICA POLONICA B, JAGELLONIAN UNIV, INST PHYSICS PI KRAKOW PA REYMONTA 4, 30-059 KRAKOW, POLAND SN 0587-4254 J9 ACTA PHYS POL B JI Acta Phys. Pol. B PD APR PY 2005 VL 36 IS 4 BP 1339 EP 1342 PG 4 WC Physics, Multidisciplinary SC Physics GA 910AW UT WOS:000227902800045 ER PT J AU Broda, R Fornal, B Krolas, W Pawlat, T Wrzesinski, J Bazzacco, D Lunardi, S De Angelis, G Gadea, A Ur, C Marginean, N Janssens, RVF Carpenter, MP Freeman, SJ Hammond, N Lauritsen, T Lister, CJ Moore, F Seweryniak, D Daly, PJ Grabowski, ZW Brown, BA Honma, M AF Broda, R Fornal, B Krolas, W Pawlat, T Wrzesinski, J Bazzacco, D Lunardi, S De Angelis, G Gadea, A Ur, C Marginean, N Janssens, RVF Carpenter, MP Freeman, SJ Hammond, N Lauritsen, T Lister, CJ Moore, F Seweryniak, D Daly, PJ Grabowski, ZW Brown, BA Honma, M TI Yrast states in N=30 Ca-50 and Sc-51 isotones studied with deep-inelastic heavy ion reactions SO ACTA PHYSICA POLONICA B LA English DT Article; Proceedings Paper CT 39th Zakopane School of Physics International Symposium CY AUG 31-SEP 05, 2004 CL Zakopane, POLAND SP Inst Fizyki Jadrowej PAN, Univ Jagiellonski, Inst Fizyki, Gesell Schwerionenforsch mbH, Komitet Fizyki PAN, ORTEC-AMETEK Grp Poland ID SHELL-MODEL AB Data from three gamma spectroscopy experiments using deep-inelastic heavy ion reactions provided new information on high-spin states in the neutron-rich N = 30, Ca-50 and Sc-51 isotones. Shell model calculations restricted to neutron excitations only are shown to reproduce with good accuracy some of the experimental levels. It is demonstrated that proton excitations not accounted in these calculations are abundantly present in the observed yrast structures. High energy of the 4(+) state in Ca-50 underlines the validity of the N = 32 shell closure. C1 H Niewodniczanski Inst Nucl Phys, PAN, PL-31342 Krakow, Poland. Univ Padua, Dipartimento Fis, Padua, Italy. Ist Nazl Fis Nucl, Sez Padova, Padua, Italy. Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. Michigan State Univ, Dept Phys & Astron, Natl Superconducting Cyclotron Lab, E Lansing, MI 48824 USA. Purdue Univ, Dept Chem, W Lafayette, IN 47907 USA. Purdue Univ, Dept Phys, W Lafayette, IN 47907 USA. Univ Aizu, Ctr Math Sci, Fukushima, Japan. RP Broda, R (reprint author), H Niewodniczanski Inst Nucl Phys, PAN, PL-31342 Krakow, Poland. RI Freeman, Sean/B-1280-2010; Krolas, Wojciech/N-9391-2013; Gadea, Andres/L-8529-2014; Carpenter, Michael/E-4287-2015; Marginean, Nicolae Marius/C-4732-2011; OI Freeman, Sean/0000-0001-9773-4921; Gadea, Andres/0000-0002-4233-1970; Carpenter, Michael/0000-0002-3237-5734; Hammond, Neil/0000-0001-6390-8874 NR 12 TC 9 Z9 9 U1 0 U2 1 PU ACTA PHYSICA POLONICA B, JAGELLONIAN UNIV, INST PHYSICS PI KRAKOW PA REYMONTA 4, 30-059 KRAKOW, POLAND SN 0587-4254 J9 ACTA PHYS POL B JI Acta Phys. Pol. B PD APR PY 2005 VL 36 IS 4 BP 1343 EP 1350 PG 8 WC Physics, Multidisciplinary SC Physics GA 910AW UT WOS:000227902800046 ER PT J AU Yang, HC Shin, TJ Yang, L Cho, K Ryu, CY Bao, ZN AF Yang, HC Shin, TJ Yang, L Cho, K Ryu, CY Bao, ZN TI Effect of mesoscale crystalline structure on the field-effect mobility of regioregular poly(3-hexyl thiophene) in thin-film transistors SO ADVANCED FUNCTIONAL MATERIALS LA English DT Article ID POLYMER CRYSTALLIZATION; CONJUGATED POLYMERS; QUASI-2 DIMENSIONS; POLYTHIOPHENE; SEMICONDUCTORS; TRANSPORT AB Regioregular poly(3-hexyl thiophene) (RR P3HT) is drop-cast to fabricate field-effect transistor (FET) devices from different solvents with different boiling points and solubilities for RR P3HT, such as methylene chloride, toluene, tetrahydrofuran, and chloroform. A Petri dish is used to cover the solution, and it takes less than 30 min for the solvents to evaporate at room temperature. The mesoscale crystalline morphology of RR P3HT thin films can be manipulated from well-dispersed nanofibrils to well-developed spherulites by changing solution processing conditions. The morphological correlation with the charge-carrier mobility in RR P3HT thin-film transistor (TFT) devices is investigated. The TFT devices show charge-carrier mobilities in the range of 10(-4) similar to 10(-2) cm(2) V-1 s(-1) depending on the solvent used, although grazing-incidence X-ray diffraction (GIXD) reveals that all films develop the same pi-pi-stacking orientation, where the < 100 >-axis is normal to the polymer films. By combining results from atomic force microscopy (AFM) and GIXD, it is found that the morphological connectivity of crystalline nanofibrils and the < 100 >-axis orientation distribution of the pi-pi-stacking plane with respect to the film normal play important roles on the charge-carrier mobility of RR P3HT for TFT applications. C1 Rensselaer Polytech Inst, Rensselaer Nanotechnol Ctr, Troy, NY 12180 USA. Stanford Univ, Dept Chem Engn, Stanford, CA 94305 USA. Brookhaven Natl Lab, Natl Synchroton Light Source, Upton, NY 11973 USA. Univ Sci & Technol, Dept Chem Engn, Pohang 790784, South Korea. RP Yang, HC (reprint author), Rensselaer Polytech Inst, Rensselaer Nanotechnol Ctr, Troy, NY 12180 USA. EM ryuc@rpi.edu; zbao@chemeng.stanford.edu RI Ryu, Chang/H-1144-2012; Yang, Lin/D-5872-2013; Shin, Tae Joo/R-7434-2016 OI Yang, Lin/0000-0003-1057-9194; Shin, Tae Joo/0000-0002-1438-3298 NR 35 TC 422 Z9 425 U1 23 U2 207 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1616-301X J9 ADV FUNCT MATER JI Adv. Funct. Mater. PD APR PY 2005 VL 15 IS 4 BP 671 EP 676 DI 10.1002/adfm.200400297 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 916VG UT WOS:000228413900018 ER PT J AU Sugama, T Brothers, LE Van de Putte, TR AF Sugama, T Brothers, LE Van de Putte, TR TI Acid-resistant cements for geothermal wells: Sodium silicate activated slag/fly ash blends SO ADVANCES IN CEMENT RESEARCH LA English DT Article ID F FLY-ASH; PERMEABILITY; PASTES AB Sodium silicate activated slag/class Ffly ash (SSASF) blend cements were prepared by varying two parameters, the SiO2/Na2O mol. ratio in the sodium silicate activator and the slag/fly ash weight ratio, and then autoclaving them at 100, 200 and 300 degrees C. The usefulness of the autoclaved SSASF cements as acid-resistant geothermal well cements was evaluated by exposing them for 15 days to 90 degrees C CO2-laden H2SO4 (PH 1.1). Among the combination of these two parameters, the most effective one in inhibiting acid erosion consisted of 50150 slag/fly ash ratio cement and 2.50 SiO2/Na2O ratio activator The weight loss by acid erosion of this cement was less than 7%. The major contributor to such minimum acid erosion was the zeolite phase formed by interactions between the mullite in fly ash and the Na ion liberated from the activator Further characteristics of this cement included a long setting time for its slurry of approximately 1770 min at room temperature, and a water permeability ranging from 2.4 X 10(-4) to 1.9 X 10(-5) Darcy, and a compressive strength from 4. 0 to 53.4 Wa after autoclaving at 100-300 degrees C for 24 h. C1 Brookhaven Natl Lab, Upton, NY 11973 USA. Halliburton, Duncan, OK 73536 USA. CalEnergy Operating Corp, Calipatria, CA 92233 USA. RP Sugama, T (reprint author), Brookhaven Natl Lab, Bldg 526,12 N 6th St, Upton, NY 11973 USA. NR 14 TC 12 Z9 12 U1 1 U2 8 PU THOMAS TELFORD PUBLISHING 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 2005 VL 17 IS 2 BP 65 EP 75 DI 10.1680/adcr.17.2.65.65045 PG 11 WC Construction & Building Technology; Materials Science, Multidisciplinary SC Construction & Building Technology; Materials Science GA 935ED UT WOS:000229761500003 ER PT J AU Hammond, GE Valocchi, AJ Lichtner, PC AF Hammond, GE Valocchi, AJ Lichtner, PC TI Application of Jacobian-free Newton-Krylov with physics-based preconditioning to biogeochemical transport SO ADVANCES IN WATER RESOURCES LA English DT Article DE Jacobian-free Newton-Krylov; physics-based preconditioning; biogeochemical transport modeling; modeling reductive dechlorination ID NONEQUILIBRIUM RADIATION DIFFUSION; REACTIVE TRANSPORT; REDUCTIVE DECHLORINATION; HYDROGEN; SYSTEMS; MODELS; TETRACHLOROETHENE; CONVERGENCE; DONORS AB Modern multicomponent geochemical transport models require the use of parallel computation for carrying out three-dimensional, field-scale simulations due to extreme memory and processing demands. However, to fully exploit the advanced computational power provided by today's supercomputers, innovative parallel algorithms are needed. We demonstrate the use of Jacobian-free Newton-Krylov (JFNK) within the Newton-Raphson method to reduce memory and processing requirements on high-performance computers. We also demonstrate the use of physics-based preconditioners, which are often necessary when using JFNK since no explicit Jacobian matrix is ever formed. We apply JFNK to simulate enhanced in situ bioremediation of a NAPL source zone, which entails highly coupled geochemical and bioderadation reactions. The algorithm's performance is evaluated and compared with conventional solvers and preconditioners. We found that JFNK provided substantial saving in memory (i.e. 30-60%) on problems utilizing up to 512 processors on LANL's ASCI Q. However, the performance based on wallclock time was less advantageous, coming out on par with conventional techniques. In addition, we illustrate deficiencies in physics-based preconditioner performance for biogeochernical transport problems with components that undergo significant sorption or form a local quasi-stationary state. (c) 2004 Elsevier Ltd. All rights reserved. C1 Sandia Natl Labs, Dept Geohydrol, Albuquerque, NM 87185 USA. Univ Illinois, Dept Civil & Environm Engn, Urbana, IL 61801 USA. Los Alamos Natl Lab, Earth & Environm Sci Div, Los Alamos, NM 87545 USA. RP Hammond, GE (reprint author), Sandia Natl Labs, Dept Geohydrol, POB 5800,MS-0735, Albuquerque, NM 87185 USA. EM gehammo@sandia.gov NR 45 TC 33 Z9 33 U1 0 U2 3 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 2005 VL 28 IS 4 BP 359 EP 376 DI 10.1016/j.advwatres.2004.12.001 PG 18 WC Water Resources SC Water Resources GA 908VC UT WOS:000227817300005 ER PT J AU Lazarev, YN Petrov, PV Tartakovsky, DM AF Lazarev, YN Petrov, PV Tartakovsky, DM TI Interface dynamics in randomly heterogeneous porous media SO ADVANCES IN WATER RESOURCES LA English DT Article DE free surface; conductivity tensor; random fluctuations; stochastic; moment equations ID FREE-SURFACE FLOW; CONDITIONAL MOMENT EQUATIONS; RECURSIVE APPROXIMATIONS; TRANSIENT FLOW; WATER; AQUIFERS; DOMAINS AB We consider the dynamics of a fluid interface in heterogeneous porous media, whose hydraulic properties are uncertain. Modeling hydraulic conductivity as a random field of given statistics allows us to predict the interface dynamics and to estimate the corresponding predictive uncertainty by means of statistical moments. The novelty of our approach to obtaining the interface statistics consists of dynamically mapping the Cartesian coordinate system onto a coordinate system associated with the moving front. This transforms a difficult problem of deriving closure relationships for highly nonlinear stochastic flows with free surfaces into a relatively simple problem of deriving stochastic closures for linear flows in domains with fixed boundaries. We derive a set of deterministic equations for the statistical moments of the interfacial dynamics, which hold in one and two spatial dimensions, and analyze their solutions for one-dimensional flow. (c) 2004 Elsevier Ltd. All rights reserved. C1 Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. Inst Tech Phys, Div Math, Snezhinsk 456770, Russia. RP Tartakovsky, DM (reprint author), Los Alamos Natl Lab, Div Theoret, Grp T-7,MS B284, Los Alamos, NM 87545 USA. EM yulaz@snezhinsk.ru; pvpetrov@snezhinsk.ru; dmt@lanl.gov RI Tartakovsky, Daniel/E-7694-2013; Petrov, Petr/G-2486-2015 NR 19 TC 7 Z9 7 U1 0 U2 2 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 2005 VL 28 IS 4 BP 393 EP 403 DI 10.1016/j.advwatres.2004.11.003 PG 11 WC Water Resources SC Water Resources GA 908VC UT WOS:000227817300007 ER PT J AU Sarra, A Miller, AL Shadle, LJ AF Sarra, A Miller, AL Shadle, LJ TI Experimentally measured shear stress in the standpipe of a circulating fluidized bed SO AICHE JOURNAL LA English DT Article DE solids-phase wall shear stress; circulating fluidized beds; standpipe; mixture momentum balance; gas solids flow ID MOVING-BED; GRANULAR-MATERIALS; WALL FRICTION; PACKED-BEDS; FLOW; SOLIDS; FORCES; INSTABILITY; TRANSPORT; DYNAMICS AB Shear stress measurements were obtained in the standpipe of a circulating fluidized bed (CFB) for 230-mu m coke breeze particles under a variety of flow conditions. These data were combined with incremental gas-phase pressure drop readings, and an estimate of the bed weight to predict the solids-phase pressure drop. It was determined that the wall shear stress and solids-phase pressure drop are significant portions of the momentum balance and cannot be neglected when modeling frictional flow behavior of Geldart type B powders in a standpipe using the conservation of linear momentum. The combined magnitude of the axial solids-phase pressure drop and wall shear stress exceeded 48% of the total forces in the mixture momentum balance for a standpipe. However, tests indicated that the influence of the wall shear stress and axial solids pressure in the mixture momentum balance may be assumed to be negligible once minimum fuidization has been exceeded. Under packed standpipe flow conditions most literature applications treat the wall shear stress as being directly proportional to the axial solids pressure divided by a proportionality factor that does not change with solids flow rate. This assumed constant is the product of the Janssen coefficient and coefficient of friction or the stress ratio. However, shear stress measurements indicated that this proportionality factor experienced a large monotonic decrease from conditions of incipient flow, where it was at its maximum, to conditions of high volumetric fluxes, where it approached a much smaller constant value. Two packed-bed flow regimes were identified. They are the smooth flow regime, characterized as spanning from moderate to large solid volumetric flow rates, and a stick-slip regime characterized as spanning from incipient to moderate solid volumetric fluxes. (c) 2005 American Institute of Chemical Engineers C1 W Virginia Univ, Dept Chem Engn, Morgantown, WV 26505 USA. US DOE, Natl Energy Technol Lab, Morgantown, WV 26507 USA. RP Shadle, LJ (reprint author), W Virginia Univ, Dept Chem Engn, Morgantown, WV 26505 USA. EM lawrence.shadle@netl.doe.gov OI Shadle, Lawrence/0000-0002-6283-3628 NR 32 TC 4 Z9 5 U1 1 U2 7 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 2005 VL 51 IS 4 BP 1131 EP 1143 DI 10.1002/aic.10368 PG 13 WC Engineering, Chemical SC Engineering GA 909XR UT WOS:000227894500008 ER PT J AU Ibanez, GE Purcell, DW Stall, R Parsons, JT Gomez, CA AF Ibanez, GE Purcell, DW Stall, R Parsons, JT Gomez, CA TI Sexual risk, substance use, and psychological distress in HIV-positive gay and bisexual men who also inject drugs SO AIDS LA English DT Article DE HIV-positive; injection drug users; men who have sex with men; sexual risk ID SAN-FRANCISCO; BEHAVIORS; HEALTH; INFECTION; HIV/AIDS AB Objectives: Gay and bisexual men and injection drug users (IDU) are the two main groups at risk of HIV exposure in the United States, but few studies have focused on the intersection of these two groups. Little is known about HIV-positive gay and bisexual IDU. The aim of this study is to identify and compare differences in HIV transmission risk behaviors and psychological distress in HIV-positive gay and bisexual men by injection versus non-injection drug use. Methods: Data were from the baseline assessment of a randomized controlled trial of an HIV prevention intervention for HIV-positive gay and bisexual men. Results: Of the 1168 men, 236 (20%) reported injection drug use, 500 (43%) reported only non-injection drug use, and 422 (36%) reported no drug use. More of the IDU reported having sex with women, and identified themselves as 'barebackers' (i.e. men who intentionally have unprotected anal intercourse). IDU reported more unprotected sexual behaviors than men who did not use drugs, but their sexual risk behaviors were similar to those of men who used non-injection drugs. IDU, compared with other drug users, reported more use of non-injected methamphetamine, amphetamine, barbiturates, and gamma hydroxybutyrate. More IDU, compared with the other two groups, reported sexual abuse, anxiety, and hostility. Conclusion: HIV-positive gay and bisexual IDU are a distinct group from other HIV-positive gay and bisexual men. Prevention case management and interventions that help men cope with multiple health concerns and prevent HIV transmission are needed for this population. (c) 2005 Lippincott Williams & Wilkins. C1 Ctr Dis Control & Prevent, Div HIV AIDS Prevent, Natl Ctr HIV STD & TB Prevent, Atlanta, GA 30333 USA. Oak Ridge Inst Sci & Educ Res Fellow, Oak Ridge, TN USA. CUNY Hunter Coll, New York, NY 10021 USA. CUNY, Grad Ctr, New York, NY USA. Univ Calif San Francisco, Ctr AIDS Prevent Studies, San Francisco, CA USA. RP Ibanez, GE (reprint author), Ctr Dis Control & Prevent, Div HIV AIDS Prevent, Natl Ctr HIV STD & TB Prevent, 1600 Clifton Rd,Mailstop E-37, Atlanta, GA 30333 USA. EM gbi2@cdc.gov NR 27 TC 33 Z9 33 U1 2 U2 2 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3261 USA SN 0269-9370 J9 AIDS JI Aids PD APR PY 2005 VL 19 SU 1 BP S49 EP S55 PG 7 WC Immunology; Infectious Diseases; Virology SC Immunology; Infectious Diseases; Virology GA 992JG UT WOS:000233879600005 PM 15838194 ER PT J AU Maniotis, AJ Valyi-Nagy, K Karavitis, J Moses, J Boddipali, V Wang, Y Nunez, R Setty, S Arbieva, Z Bissell, MJ Folberg, R AF Maniotis, AJ Valyi-Nagy, K Karavitis, J Moses, J Boddipali, V Wang, Y Nunez, R Setty, S Arbieva, Z Bissell, MJ Folberg, R TI Chromatin organization measured by AluI restriction enzyme changes with malignancy and is regulated by the extracellular matrix and the cytoskeleton SO AMERICAN JOURNAL OF PATHOLOGY LA English DT Article ID MAMMARY EPITHELIAL-CELLS; CASEIN GENE-EXPRESSION; NEURONAL INTERPHASE NUCLEI; INTERMEDIATE-FILAMENTS; BASEMENT-MEMBRANE; 3-DIMENSIONAL ARCHITECTURE; TRANSCRIPTIONAL ENHANCER; CHROMOSOME ARCHITECTURE; MITOTIC CHROMOSOMES; SIGNAL-TRANSDUCTION AB Given that expression of many genes changes when cells become malignant or are placed in. different microenvironments, we asked whether these changes were accompanied by global reorganization of chromatin. We reasoned that sequestration or exposure of chromatin-sensitive sites to restriction enzymes could be used to detect this reorganization. We found that AM-sensitive sites of nonmalignant cells were relatively more exposed compared to their malignant counterparts in cultured cells and human tumor samples. Changes in exposure and sequestration of AluI-sensitive sites in normal fibroblasts versus fibrosarcoma or those transfected with oncogenes, nonmalignant breast cells versus carcinomas and poorly metastatic versus highly invasive melanoma were shown to be independent of the cell cycle and may be influenced by proteins rich in disulfide bonds. Remarkably, regardless of degree of malignancy, AluI-sensitive sites became profoundly sequestered when cells were incubated with laminin, Matrigel, or a circular RGD peptide (RGD-C), but became exposed when cells were placed on collagen I or in serum-containing medium. Disruption of the actin cytoskeleton led to exposure, whereas disruption of microtubules or intermediate filaments exerted a sequestering effect. Thus, AluI-sensitive sites are more sequestered with increasing malignant behavior, but the sequestration and exposure of these sites is exquisitely sensitive to information conferred to the cell by molecules and biomechanical forces that regulate cellular and tissue architecture. C1 Univ Illinois, Dept Pathol, Chicago, IL 60612 USA. Univ Illinois, Ctr Canc, Chicago, IL 60612 USA. Univ Illinois, Core Genom Facil, Chicago, IL 60612 USA. Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA USA. RP Maniotis, AJ (reprint author), Univ Illinois, Dept Pathol, 1819 W Polk St,446 CMW MC 847, Chicago, IL 60612 USA. EM amanioti@uic.edu OI Valyi-Nagy, Klara/0000-0002-3035-6388 FU NEI NIH HHS [R01 EY010457, EY10457] NR 70 TC 31 Z9 32 U1 0 U2 0 PU AMER SOC INVESTIGATIVE PATHOLOGY, INC PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3993 USA SN 0002-9440 J9 AM J PATHOL JI Am. J. Pathol. PD APR PY 2005 VL 166 IS 4 BP 1187 EP 1203 DI 10.1016/S0002-9440(10)62338-3 PG 17 WC Pathology SC Pathology GA 910GS UT WOS:000227919500024 PM 15793298 ER PT J AU Suzuki, Y Kelly, SD Kemner, KM Banfield, JF AF Suzuki, Y Kelly, SD Kemner, KM Banfield, JF TI Direct microbial reduction and subsequent preservation of uranium in natural near-surface sediment SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID CONTAMINATED AQUIFER; SUBSURFACE SEDIMENTS; FE(III); U(VI); BIOREMEDIATION; STIMULATION; TEMPERATURE; ENRICHMENT; BACTERIUM; OXIDATION AB The fate of uranium in natural systems is of great environmental importance. X-ray absorption near-edge spectroscopy (XANES) revealed that U(VI) was reduced to U(IV) in shallow freshwater sediment at an open pit in an inactive uranium mine. Geochemical characterization of the sediment showed that nitrate, Fe(III), and sulfate had also been reduced in the sediment. Observations of the sediment particles and microbial cells by scanning and transmission electron microscopy, coupled with elemental analysis by energy dispersive spectroscopy, revealed that uranium was concentrated at microbial cell surfaces. UJV) was not associated with framboidal pyrite or nanometer-scale iron sulfides, which are presumed to be of microbial origin. Uranium concentrations were not detected in association with algal cells. Phylogenetic analyses of microbial populations in the sediment by the use of 16S rRNA and dissimilatory sulfite reductase gene sequences detected organisms belonging to the families Geobacteraceae and Desulfovibrionaceae. Cultivated members of these lineages reduce U(VI) and precipitate iron sulfides. The association of uranium with cells, but not with sulfide surfaces, suggests that U(VI) is reduced by the enzymatic activities of microorganisms. Uranium was highly enriched (760 ppm) in a subsurface black layer in unsaturated sediment sampled from a pit which was exposed to seasonal fluctuations in the pond level. XANES analysis showed that the majority of uranium in this layer was U(M, indicating that uranium is preserved in its reduced form after burial. C1 Univ Wisconsin, Dept Geol & Geophys, Madison, WI 53706 USA. Argonne Natl Lab, Div Environm Res, Argonne, IL 60439 USA. Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. RP Suzuki, Y (reprint author), Japan Marine Sci & Technol Ctr, Frontier Res Syst Extremophiles, 2-15 Natushima Cho, Yokosuka, Kanagawa 2370061, Japan. EM yohey@jamstec.go.jp RI ID, MRCAT/G-7586-2011; Suzuki, Yohey/G-4980-2014 NR 53 TC 64 Z9 65 U1 3 U2 23 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0099-2240 EI 1098-5336 J9 APPL ENVIRON MICROB JI Appl. Environ. Microbiol. PD APR PY 2005 VL 71 IS 4 BP 1790 EP 1797 DI 10.1128/AEM.71.4.1790-1797.2005 PG 8 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA 915UY UT WOS:000228338000014 PM 15812002 ER PT J AU Erwin, DP Erickson, IK Delwiche, ME Colwell, FS Strap, JL Crawford, RL AF Erwin, DP Erickson, IK Delwiche, ME Colwell, FS Strap, JL Crawford, RL TI Diversity of oxyenase genes from methane- and ammonia-oxidizing bacteria in the Eastern Snake River Plain aquifer SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID METHYLOSINUS-TRICHOSPORIUM OB3B; METHYLOCOCCUS-CAPSULATUS BATH; WHOLE-GENOME AMPLIFICATION; IN-SITU BIOREMEDIATION; PHI-29 DNA-POLYMERASE; METHANOTROPHIC BACTERIA; BASALT AQUIFER; DISPLACEMENT AMPLIFICATION; MOLECULAR CHARACTERIZATION; AEROBIC COMETABOLISM AB PCR amplification, restriction fragment length polymorphism, and phylogenetic analysis of oxygenase genes were used for the characterization of in situ methane- and ammonia-oxidizing bacteria from free-living and attached communities in the Eastern Snake River Plain aquifer. The following three methane monooxygenase (MMO) PCR primer sets were used: A189-A682, which amplifies an internal region of both the pmoA gene of the MMO particulate form and the amoA gene of ammonia monooxygenase; A189-mb661, which specifically targets the pmoA gene; and mmoY.A-mmoXB, which amplifies the mmoX gene of the MMO soluble form (sMMO). Whole-genome amplification (WGA) was used to amplify metagenomic DNA from each community to assess its applicability for generating unbiased metagenomic template DNA. The majority of sequences in each archive were related to oxygenases of type II-like methanotrophs of the genus Methylocystis. A small subset of type I sequences found only in free-living communities possessed oxygenase genes that grouped nearest to Methylobacter and Methylomonas spp. Sequences similar to that of the amoA gene associated with ammonia-oxidizing bacteria (AOB) most closely matched a sequence from the uncultured bacterium BS870 but showed no substantial alignment to known cultured AOB. Based on these functional gene analyses, bacteria related to the type II methanotroph Methylocystis sp. were found to dominate both free-living and attached communities. Metagenomic DNA amplified by WGA showed characteristics similar to those of unamplified samples. Overall, numerous sMMO-like gene sequences that have been previously associated with high rates of trichloroethylene cometabolism were observed in both free-living and attached communities in this basaltic aquifer. C1 Univ Idaho, Environm Biotechnol Inst, Fod Res Ctr 204, Moscow, ID 83844 USA. Univ Idaho, Dept Biol, Moscow, ID 83844 USA. Idaho Natl Engn & Environm Lab, Idaho Falls, ID USA. RP Crawford, RL (reprint author), Univ Idaho, Environm Biotechnol Inst, Fod Res Ctr 204, Moscow, ID 83844 USA. EM crawford@uidaho.edu RI Strap, Janice/H-2395-2012 FU NIEHS NIH HHS [1R21 ES012814-01, R21 ES012814] NR 51 TC 53 Z9 59 U1 2 U2 27 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 2005 VL 71 IS 4 BP 2016 EP 2025 DI 10.1128/AEM.71.4.2016-2025.2005 PG 10 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA 915UY UT WOS:000228338000046 PM 15812034 ER PT J AU Zhang, CL Huang, ZY Cantu, J Pancost, RD Brigmon, RL Lyons, TW Sassen, R AF Zhang, CL Huang, ZY Cantu, J Pancost, RD Brigmon, RL Lyons, TW Sassen, R TI Lipid biomarkers and carbon isotope signatures of a microbial (Beggiatoa) mat associated with gas hydrates in the Gulf of Mexico SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID SULFATE-REDUCING BACTERIA; HYDROCARBON SEEP COMMUNITIES; FILAMENTOUS SULFUR BACTERIA; COASTAL MARINE SEDIMENT; HYDROTHERMAL VENTS; FATTY-ACIDS; CHEMOAUTOTROPHIC GROWTH; AUTOTROPHIC BEGGIATOA; GRADIENT CULTURES; CONTINENTAL-SLOPE AB White and orange mats are ubiquitous on surface sediments associated with gas hydrates and cold seeps in the Gulf of Mexico. The goal of this study was to determine the predominant pathways for carbon cycling within an orange mat in Green Canyon (GC) block GC 234 in the Gulf of Mexico. Our approach incorporated laser-scanning confocal microscopy, lipid biomarkers, stable carbon isotopes, and 16S rRNA gene sequencing. Confocal microscopy showed the predominance of filamentous microorganisms (4 to 5 mu m in diameter) in the mat sample, which are characteristic of Beggiatoa. The phospholipid fatty acids extracted from the mat sample were dominated by 16:1 omega 7c/t (67%), 18:1 omega 7c (17%), and 16:0 (8%), which are consistent with lipid profiles of known sulfur-oxidizing bacteria, including Beggiatoa. These results are supported by the 16S rRNA gene analysis of the mat material, which yielded sequences that are all related to the vacuolated sulfur-oxidizing bacteria, including Beggiatoa, Thioploca, and Thiomargarita. The delta(13)C value of total biomass was -28.6%0; those of individual fatty acids were -29.4 to -33.7%o. These values suggested heterotrophic growth of Beggiatoa on organic substrates that may have delta(13)C values characteristic of crude oil or on their by-products from microbial degradation. This study demonstrated that integrating lipid biomarkers, stable isotopes, and molecular DNA could enhance our understanding of the metabolic functions of Beggiatoa mats in sulfide-rich marine sediments associated with gas hydrates in the Gulf of Mexico and other locations. C1 Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. Univ Georgia, Dept Marine Sci, Aiken, SC 29802 USA. Savannah River Technol Ctr, Aiken, SC USA. Univ Tennessee, Ctr Biomarker Anal, Knoxville, TN USA. Univ Bristol, Sch Chem, Bristol Geochem Res Ctr, Organ Geochem Unit, Bristol, Avon, England. Univ Missouri, Dept Geol Sci, Columbia, MO USA. Texas A&M Univ, Geochem & Environm Res Grp, College Stn, TX USA. RP Zhang, CL (reprint author), Univ Georgia, Savannah River Ecol Lab, Drawer E, Aiken, SC 29802 USA. EM zhang@srel.edu OI Pancost, Richard/0000-0003-0298-4026 NR 72 TC 58 Z9 68 U1 4 U2 24 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 2005 VL 71 IS 4 BP 2106 EP 2112 DI 10.1128/AEM.71.4.2106-2112.2005 PG 7 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA 915UY UT WOS:000228338000056 PM 15812044 ER PT J AU Beller, HR AF Beller, HR TI Anaerobic, nitrate-dependent oxidation of U(IV) oxide minerals by the chemolithoautotrophic bacterium Thiobacillus denitrificans SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID METAL-REDUCING BACTERIUM; URANIUM REDUCTION; BIOREMEDIATION AB Under anaerobic conditions and at circumneutral pH, cells of the widely distributed, obligate chemolitho autotrophic bacterium Thiobacillus denitrificans oxidatively dissolved synthetic and biogenic U(IV) oxides (uraninite) in nitrate-dependent fashion: U(IV) oxidation required the presence of nitrate and was strongly correlated with nitrate consumption. This is the first report of anaerobic U(IV) oxidation by an autotrophic bacterium. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Beller, HR (reprint author), Lawrence Livermore Natl Lab, POB 808,L-542, Livermore, CA 94551 USA. EM beller2@llnl.gov RI Beller, Harry/H-6973-2014 NR 18 TC 83 Z9 87 U1 1 U2 34 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 2005 VL 71 IS 4 BP 2170 EP 2174 DI 10.1128/AEM.71.4.2170-2174.2005 PG 5 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA 915UY UT WOS:000228338000065 PM 15812053 ER PT J AU Pogue, BW Mourant, JR George, J AF Pogue, BW Mourant, JR George, J TI Topics in biomedical optics - part I: introduction SO APPLIED OPTICS LA English DT Editorial Material C1 Dartmouth Coll, Thayer Sch Engn, Hanover, NH 03755 USA. Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. RP Dartmouth Coll, Thayer Sch Engn, 8000 Cummings Hall, Hanover, NH 03755 USA. EM pogue@Dartmouth.edu NR 0 TC 0 Z9 0 U1 0 U2 2 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1559-128X EI 2155-3165 J9 APPL OPTICS JI Appl. Optics PD APR 1 PY 2005 VL 44 IS 10 BP 1784 EP 1784 DI 10.1364/AO.44.001784 PG 1 WC Optics SC Optics GA 911WG UT WOS:000228036600002 ER PT J AU Kapoor, RN Guillory, P Schulte, L Cervantes-Lee, F Haiduc, L Parkanyi, L Pannell, KH AF Kapoor, RN Guillory, P Schulte, L Cervantes-Lee, F Haiduc, L Parkanyi, L Pannell, KH TI Di(p-tert-butylphenyl)-N,N-di-(iso-butyl)carbamoylmethylphosphine oxide and its organotin and uranyl adducts: structural and spectroscopic characterization SO APPLIED ORGANOMETALLIC CHEMISTRY LA English DT Article; Proceedings Paper CT 11th International Conference on Coordination and Organometallic Chemistry of Germaium, Tin and Lead (ICCOC-GTL 11) CY JUN 27-JUL 02, 2004 CL Santa Fe, NM DE carbamoylphosphine oxide; CMPO; organotin chlorides; uranyl ID (CARBAMOYLMETHYL)PHOSPHINE OXIDE; EXTRACTION CHROMATOGRAPHY; CRYSTAL-STRUCTURES; COMPLEXES; LIGANDS; PHOSPHINE; NITRATE; EU(III); SYSTEM; ACID AB The single-crystal structure of the hydrophobic actinide extractant di(p-tert-butylphenyl)-N,N-di-(isobutyl)carbamoylmethylphosphine oxide (CMPO, 1) has been determined, as has that of its 1: 1 chelate complex with uranyl nitrate (2), its 1: 1 monodentate complexes with Ph3SnCl (3) and Me2SnCl2 (4) bonding via the P=O group. A 1:1 bidentate complex with Ph2SnCl2 bonding via both P=O and C=O functionalities (5) was obtained which in solution exhibits a C=O -> Sn bond dissociation to exist as the monodentate isomer coordinating only through the P=O group. Copyright (c) 2005 John Wiley T Sons, Ltd. C1 Univ Texas, Dept Chem, El Paso, TX 79968 USA. Los Alamos Natl Lab, Actinide Chem Proc Grp, Los Alamos, NM 87545 USA. RP Pannell, KH (reprint author), Univ Texas, Dept Chem, El Paso, TX 79968 USA. EM kpannell@utep.edu NR 43 TC 23 Z9 23 U1 1 U2 3 PU JOHN WILEY & SONS LTD PI CHICHESTER PA THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND SN 0268-2605 J9 APPL ORGANOMET CHEM JI Appl. Organomet. Chem. PD APR PY 2005 VL 19 IS 4 BP 510 EP 517 DI 10.1002/aoc.847 PG 8 WC Chemistry, Applied; Chemistry, Inorganic & Nuclear SC Chemistry GA 910HS UT WOS:000227922300015 ER PT J AU Gruenhagen, JA Lai, CY Radu, DR Lin, VSY Yeung, ES AF Gruenhagen, JA Lai, CY Radu, DR Lin, VSY Yeung, ES TI Real-time imaging of tunable adenosine 5-triphosphate release from an MCM-41-type mesoporous silica nanosphere-based delivery system SO APPLIED SPECTROSCOPY LA English DT Article DE ATP sensing; luciferase chemiluminescence; MCM-41; capped mesoporous silica; poly(amido amine) dendrimer; controlled release; fluorescence imaging ID CONTROLLED DRUG-DELIVERY; FIREFLY LUCIFERASE; ENZYME IMMOBILIZATION; DENDRIMERS; NEUROTRANSMITTERS; CONDENSATION; MORPHOLOGY; MOLECULES; BIOLOGY AB We studied a mesoporous silica nanosphere (MSN) material with tunable release capability for drug delivery applications. We employed luciferase chemiluminescence imaging to investigate the kinetics and mechanism of the adenosine 5-triphosphate (ATP) release with various disulfide-reducing agents as uncapping triggers. ATP molecules were encapsulated within the MSNs by immersing dry nanospheres in aqueous solutions of ATP followed by capping of the mesopores with chemically removable caps, such as cadmium sulfide (CdS) nanoparticles and poly(amido amine) dendrimers (PAMAM), via a disulfide linkage. By varying the chemical nature of the "cap" and "trigger" molecules in our MSN system, we discovered that the release profiles could indeed be regulated in a controllable fashion. C1 Iowa State Univ, Ames Lab, US DOE, Ames, IA 50011 USA. Iowa State Univ, Dept Chem, Ames, IA 50011 USA. RP Yeung, ES (reprint author), Iowa State Univ, Ames Lab, US DOE, Ames, IA 50011 USA. EM vsylin@iastate.edu; yeung@ameslab.gov NR 40 TC 53 Z9 54 U1 3 U2 44 PU SOC APPLIED SPECTROSCOPY PI FREDERICK PA 5320 SPECTRUM DRIVE SUITE C, FREDERICK, MD 21703 USA SN 0003-7028 J9 APPL SPECTROSC JI Appl. Spectrosc. PD APR PY 2005 VL 59 IS 4 BP 424 EP 431 PG 8 WC Instruments & Instrumentation; Spectroscopy SC Instruments & Instrumentation; Spectroscopy GA 914NP UT WOS:000228234900005 PM 15901327 ER PT J AU Li, H Torney, DC AF Li, H Torney, DC TI Enumerations of unlabelled multigraphs SO ARS COMBINATORIA LA English DT Article ID GRAPHS AB Using R. C. Read's superposition method we establish a formula for the enumeration of Euler multigraphs, with loops allowed and with given numbers of edges. In addition, applying Burnside's Lemma and our adaptation of Read's superposition method, we also derive a formula for the enumeration of Euler multigraphs without loops - via the calculation of the number of perfect matchings of the complement of complete multipartite graphs. MAPLE is employed to implement these enumerations. For one up to 13 edges, the numbers of nonisomorphic Euler multigraphs with loops allowed are 1, 3, 6, 16, 34, 90, 213, 572 1499, 4231, 12115, 36660 and 114105, respectively and, for one up to 16 edges, the numbers of nonisomorphic Euler multigraphs without loops are 0, 1, 1, 4, 4, 15, 22, 68, 131, 376, 892 2627, 7217 22349 69271 and 229553, respectively. Simplification of these methods yields the numbers of multigraphs with given numbers of edges, results which also appear to be new. Our methods also apply to multigraphs with essentially arbitrary constraints on vertex degrees. C1 Los Alamos Natl Lab, Grp T 10, Los Alamos, NM 87545 USA. RP Li, H (reprint author), Los Alamos Natl Lab, Grp T 10, Mail Stop K710, Los Alamos, NM 87545 USA. EM huaien_li@hotmail.com; dct@ipmati1.lanl.gov NR 9 TC 0 Z9 0 U1 0 U2 0 PU CHARLES BABBAGE RES CTR PI WINNIPEG PA PO BOX 272 ST NORBERT POSTAL STATION, WINNIPEG, MB R3T 2N2, CANADA SN 0381-7032 J9 ARS COMBINATORIA JI ARS Comb. PD APR PY 2005 VL 75 BP 171 EP 188 PG 18 WC Mathematics SC Mathematics GA 922WH UT WOS:000228870100015 ER PT J AU Feng, MY Roth, KW Westphalen, D Brodrick, J AF Feng, MY Roth, KW Westphalen, D Brodrick, J TI Automated fault detection and diagnostics SO ASHRAE JOURNAL LA English DT Editorial Material C1 Charles Stark Draper Lab Inc, Cambridge, MA 02139 USA. TIAX, HVAC & Refrigerat Technol Sector, Cambridge, MA USA. US DOE, Bldg Technol Program, Washington, DC USA. RP Feng, MY (reprint author), Charles Stark Draper Lab Inc, Cambridge, MA 02139 USA. NR 0 TC 5 Z9 5 U1 0 U2 1 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 2005 VL 47 IS 4 BP 68 EP + PG 3 WC Thermodynamics; Construction & Building Technology; Engineering, Mechanical SC Thermodynamics; Construction & Building Technology; Engineering GA 914NT UT WOS:000228235300011 ER PT J AU Belle, KE Howell, SB Mukai, K Szkody, P Nishikida, K Ciardi, DR Fried, RE Oliver, JP AF Belle, KE Howell, SB Mukai, K Szkody, P Nishikida, K Ciardi, DR Fried, RE Oliver, JP TI Simultaneous X-ray and optical observations of EX Hydrae SO ASTRONOMICAL JOURNAL LA English DT Article DE accretion, accretion disks; novae, cataclysmic variables; stars : individual ( EX Hydrae); X-rays : stars ID CATACLYSMIC VARIABLES; RADIAL-VELOCITY; WHITE-DWARF; SPECTROSCOPY; MASS; DENSITY; CHANDRA; HYA AB The intermediate polar, EX Hydrae, was the object of a large simultaneous multiwavelength observational campaign during 2000 May - June. Here we present the Rossi X-Ray Timing Explorer photometry and optical photometry and spectroscopy from ground-based observatories obtained as part of this campaign. Balmer line radial velocities and Doppler maps provide evidence for an extended bulge along the outer edge of the accretion disk and some form of extended/overflowing material originating from the hot spot. In addition, the optical binary eclipse possesses an extended egress shoulder, an indication that an additional source ( other than the white dwarf) is coming out of eclipse. We also compare the X-ray and optical results with the results obtained from the EUV and UV observations from the multiwavelength data set. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Natl Opt Astron Observ, Tucson, AZ 85726 USA. WIYN Observ, Tucson, AZ 85726 USA. NASA, Goddard Space Flight Ctr, High Energy Astrophys Lab, Greenbelt, MD 20771 USA. Univ Washington, Dept Astron, Seattle, WA 98195 USA. Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. CALTECH, Michelson Sci Ctr, Pasadena, CA 91125 USA. Braeside Observ, Flagstaff, AZ 86002 USA. Univ Florida, Dept Astron, Gainesville, FL 32611 USA. RP Belle, KE (reprint author), Los Alamos Natl Lab, X-2 MS B227, Los Alamos, NM 87545 USA. EM belle@lanl.gov; howell@noao.edu; mukai@milkyway.gsfc.nasa.gov; szkody@astro.washington.edu; kaori@ssl.berkeley.edu; ciardi@ipac.caltech.edu; oliver@astro.ufl.edu OI Ciardi, David/0000-0002-5741-3047 NR 20 TC 12 Z9 12 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 2005 VL 129 IS 4 BP 1985 EP 1992 DI 10.1086/428487 PG 8 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 907TU UT WOS:000227741700017 ER PT J AU Jonauskas, V Bogdanovich, P Keenan, FP Foord, ME Heeter, RF Rose, SJ Ferland, GJ Kisielius, R van Hoof, PAM Norrington, PH AF Jonauskas, V Bogdanovich, P Keenan, FP Foord, ME Heeter, RF Rose, SJ Ferland, GJ Kisielius, R van Hoof, PAM Norrington, PH TI Energy levels and transition probabilities for nitrogen-like Fe xx SO ASTRONOMY & ASTROPHYSICS LA English DT Article DE atomic data ID I ISOELECTRONIC SEQUENCE; ATOMIC DATA; IRON PROJECT; OSCILLATOR-STRENGTHS; DIPOLE TRANSITIONS; XMM-NEWTON; CONFIGURATION; SPECTROSCOPY; LIFETIMES; PROGRAM AB Energies of the 700 lowest levels in Fe XX have been obtained using the multiconfiguration Dirac-Fock method. Configuration interaction method on the basis set of transformed radial orbitals with variable parameters taking into account relativistic corrections in the Breit-Pauli approximation was used to crosscheck our presented results. Transition probabilities, oscillator and line strengths are presented for electric dipole (E1), electric quadrupole (E2) and magnetic dipole (M1) transitions among these levels. The total radiative transition probabilities from each level are also provided. Results are compared with data compiled by NIST and with other theoretical work. C1 Queens Univ Belfast, Dept Pure & Appl Phys, Belfast BT7 1NN, Antrim, North Ireland. Vilnius State Univ, Res Inst Theoret Phys & Astron, LT-01108 Vilnius, Lithuania. Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. Univ Oxford, Dept Phys, Clarendon Lab, Oxford OX1 3PU, England. Univ Kentucky, Dept Phys, Lexington, KY 40506 USA. Queens Univ Belfast, Dept Appl Math & Theoret Phys, Belfast BT7 1NN, Antrim, North Ireland. RP Jonauskas, V (reprint author), Queens Univ Belfast, Dept Pure & Appl Phys, Belfast BT7 1NN, Antrim, North Ireland. EM V.Jonauskas@qub.ac.uk OI Rose, Steven/0000-0001-6808-6355; Ferland, Gary/0000-0003-4503-6333 NR 34 TC 7 Z9 7 U1 0 U2 3 PU E D P SCIENCES PI LES ULIS CEDEX A PA 17, AVE DU HOGGAR, PA COURTABOEUF, BP 112, F-91944 LES ULIS CEDEX A, FRANCE SN 0004-6361 J9 ASTRON ASTROPHYS JI Astron. Astrophys. PD APR PY 2005 VL 433 IS 2 BP 745 EP U69 DI 10.1051/0004-6361:20042301 PG 54 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 909JS UT WOS:000227856800044 ER PT J AU Levan, A Patel, S Kouveliotou, C Fruchter, A Rhoads, J Rol, E Ramirez-Ruiz, E Gorosabel, J Hjorth, J Wijers, R Wood-Vasey, WM Bersier, D Castro-Tirado, A Fynbo, J Jensen, B Pian, E Tanvir, N Thorsett, S Woosley, S AF Levan, A Patel, S Kouveliotou, C Fruchter, A Rhoads, J Rol, E Ramirez-Ruiz, E Gorosabel, J Hjorth, J Wijers, R Wood-Vasey, WM Bersier, D Castro-Tirado, A Fynbo, J Jensen, B Pian, E Tanvir, N Thorsett, S Woosley, S TI A deep search with the Hubble Space Telescope for late-time supernova signatures in the hosts of XRF 011030 and XRF 020427 SO ASTROPHYSICAL JOURNAL LA English DT Article DE gamma rays : bursts ID GAMMA-RAY BURSTS; OPTICAL AFTERGLOW; ORPHAN AFTERGLOWS; LOW-LUMINOSITY; SN 2003LW; GRB-031203; DISCOVERY; GALAXIES; EMISSION; FLASH AB X-ray flashes (XRFs) are, like gamma-ray bursts (GRBs), thought to signal the collapse of massive stars in distant galaxies. Many models posit that the isotropic equivalent energies of XRFs are lower than those for GRBs, such that they are visible from a reduced range of distances when compared with GRBs. Here we present the results of two-epoch Hubble Space Telescope imaging of two XRFs. These images, taken approximately 45 and 200 days postburst, reveal no evidence of an associated supernova in either case. Supernovae such as SN 1998bw would have been visible out to z similar to 1.5 in each case, while fainter supernovae such as SN 2002ap would have been visible to z similar to 1. If the XRFs lie at such large distances, their energies would not fit the observed correlation between the GRB peak energy and isotropic energy release (E(p) proportional to E(iso)(1/2)), in which soft bursts are less energetic. We conclude that, should these XRFs reside at low redshifts (z < 0.6), either their line of sight is heavily extinguished, they are associated with extremely faint supernovae, or, unlike GRBs, these XRFs do not have temporally coincident supernovae. C1 Univ Washington, Inst Nucl Theory, Seattle, WA 98195 USA. Univ Leicester, Dept Phys & Astron, Leicester LE1 7RH, Leics, England. Space Telescope Sci Inst, Baltimore, MD 21218 USA. Univ Space Res Assoc, Natl Space Sci Technol Ctr, Huntsville, AL 35805 USA. NASA, George C Marshall Space Flight Ctr, Natl Space Sci Technol Ctr, Huntsville, AL 35805 USA. Inst Adv Study, Sch Nat Sci, Princeton, NJ 08540 USA. CSIC, Inst Astrofis Andalucia, E-18080 Granada, Spain. Univ Copenhagen, Astron Observ, DK-2100 Copenhagen, Denmark. Univ Amsterdam, Astron Inst Anton Pannekoek, NL-1098 SJ Amsterdam, Netherlands. Univ Amsterdam, Ctr High Energy Astrophys, NL-1098 SJ Amsterdam, Netherlands. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Osserv Astron Trieste, INAF, I-34131 Trieste, Italy. Univ Hertfordshire, Ctr Astrophys Res, Hatfield AL10 9AB, Herts, England. Univ Calif Santa Cruz, Dept Astron & Astrophys, Santa Cruz, CA 95064 USA. RP Levan, A (reprint author), Univ Washington, Inst Nucl Theory, Seattle, WA 98195 USA. RI Hjorth, Jens/M-5787-2014; Jensen, Brian Lindgren/E-1275-2015; OI Hjorth, Jens/0000-0002-4571-2306; Jensen, Brian Lindgren/0000-0002-0906-9771; Thorsett, Stephen/0000-0002-2025-9613; Wijers, Ralph/0000-0002-3101-1808; Castro-Tirado, A. J./0000-0003-2999-3563; Pian, Elena/0000-0001-8646-4858 NR 87 TC 16 Z9 16 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD APR 1 PY 2005 VL 622 IS 2 BP 977 EP 985 DI 10.1086/426938 PN 1 PG 9 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 912QD UT WOS:000228093400019 ER PT J AU Fransson, C Challis, PM Chevalier, RA Filippenko, AV Kirshner, RP Kozma, C Leonard, DC Matheson, T Baron, E Garnavich, P Jha, S Leibundgut, B Lundqvist, P Pun, CSJ Wang, LF Wheeler, JC AF Fransson, C Challis, PM Chevalier, RA Filippenko, AV Kirshner, RP Kozma, C Leonard, DC Matheson, T Baron, E Garnavich, P Jha, S Leibundgut, B Lundqvist, P Pun, CSJ Wang, LF Wheeler, JC TI Hubble Space Telescope and ground-based observations of SN 1993J and SN1998S: CNO processing in the progenitors SO ASTROPHYSICAL JOURNAL LA English DT Article ID CASSIOPEIA-A EVIDENCE; CIRCUMSTELLAR INTERACTION; II SUPERNOVAE; OPTICAL-SPECTRA; EMISSION-LINES; MASSIVE STARS; LIGHT-CURVE; X-RAY; SN-1993J; ULTRAVIOLET AB Ground-based and Hubble Space Telescope observations are presented for SN 1993J and SN 1998S. SN 1998S shows strong, relatively narrow circumstellar emission lines of N III-V and C III-IV, as well as broad lines from the ejecta. Both the broad ultraviolet and optical lines in SN 1998S indicate an expansion velocity of similar to 7000 km s(-1). The broad emission components of Ly alpha and Mg II are strongly asymmetrical after day 72 past the explosion and differ in shape from H alpha. Different models based on dust extinction from dust in the ejecta or shock region, in combination with H alpha from a circumstellar torus, are discussed. It is concluded, however, that the double-peaked line profiles are more likely to arise as a result of optical depth effects in the narrow, cool, dense shell behind the reverse shock than in a torus-like region. The ultraviolet lines of SN 1993J are broad, with a boxlike shape, coming from the ejecta and a cool, dense shell. The shapes of the lines are well fitted by a shell with inner velocity similar to 7000 km s(-1) and outer velocity similar to 10,000 km s(-1). For both SN 1993J and SN 1998S a strong nitrogen enrichment is found, with N/C approximate to 12.4 in SN 1993J and N/C approximate to 6.0 in SN 1998S. From a compilation of all supernovae with determined CNO ratios, we discuss the implications of these observations for the structure of the progenitors of Type II supernovae. C1 Stockholm Univ, AlbaNova, Dept Astron, SE-10691 Stockholm, Sweden. Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. Univ Virginia, Dept Astron, Charlottesville, VA 22903 USA. Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. Univ Massachusetts, Five Coll Astron Dept, Amherst, MA 01003 USA. CALTECH, Dept Astron, Pasadena, CA 91125 USA. Univ Oklahoma, Dept Phys & Astron, Norman, OK 73019 USA. Univ Notre Dame, Dept Phys, Notre Dame, IN 46556 USA. European So Observ, D-85748 Garching, Germany. Univ Hong Kong, Dept Phys, Hong Kong, Hong Kong, Peoples R China. Univ Calif Berkeley, Lawrence Berkeley Lab, Inst Nucl & Particle Astrophys, Berkeley, CA 94720 USA. Univ Texas, Dept Astron, Austin, TX 78712 USA. RP Fransson, C (reprint author), Stockholm Univ, AlbaNova, Dept Astron, SE-10691 Stockholm, Sweden. EM claes@astro.su.se.email RI Baron, Edward/A-9041-2009 OI Baron, Edward/0000-0001-5393-1608 NR 86 TC 56 Z9 56 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD APR 1 PY 2005 VL 622 IS 2 BP 991 EP 1007 DI 10.1086/426495 PN 1 PG 17 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 912QD UT WOS:000228093400021 ER PT J AU Krot, AN Hutcheon, ID Yurimoto, H Cuzzi, JN McKeegan, KD Scott, ERD Libourel, G Chaussidon, M Aleon, J Petaev, MI AF Krot, AN Hutcheon, ID Yurimoto, H Cuzzi, JN McKeegan, KD Scott, ERD Libourel, G Chaussidon, M Aleon, J Petaev, MI TI Evolution of oxygen isotopic composition in the inner solar nebula SO ASTROPHYSICAL JOURNAL LA English DT Article DE meteors, meteoroids; nuclear reactions, nucleosynthesis, abundances; planetary systems : formation; solar system : formation ID ALUMINUM-RICH INCLUSIONS; CARBONACEOUS CHONDRITE ACFER-094; SHORT-LIVED NUCLIDES; REFRACTORY INCLUSIONS; FERROMAGNESIAN CHONDRULES; CONTEMPORANEOUS FORMATION; SYSTEM; ALLENDE; ORIGIN; AL-26 AB Changes in the chemical and isotopic composition of the solar nebula with time are reflected in the properties of different constituents that are preserved in chondritic meteorites. CR-group carbonaceous chondrites are among the most primitive of all chondrite types and must have preserved solar nebula records largely unchanged. We have analyzed the oxygen and magnesium isotopes in a range of the CR constituents of different formation temperatures and ages, including refractory inclusions and chondrules of various types. The results provide new constraints on the time variation of the oxygen isotopic composition of the inner (<5 AU) solar nebula - the region where refractory inclusions and chondrules most likely formed. A chronology based on the decay of short-lived Al-26 (t(1/2) similar to 0.73 Myr) indicates that the inner solar nebula gas was O-16-rich when refractory inclusions formed, but less than 0.8 Myr later, gas in the inner solar nebula became O-16-poor, and this state persisted at least until CR chondrules formed similar to 1-2 Myr later. We suggest that the inner solar nebula became O-16-poor because meter-sized icy bodies, which were enriched in O-17 and O-18 as a result of isotopic self-shielding during the ultraviolet photo-dissociation of CO in the protosolar molecular cloud or protoplanetary disk, agglomerated outside the snow line, drifted rapidly toward the Sun, and evaporated at the snow line. This led to significant enrichment in O-16-depleted water, which then spread through the inner solar system. Astronomical studies of the spatial and temporal variations of water abundance in protoplanetary disks may clarify these processes. C1 Univ Hawaii Manoa, Sch Ocean & Earth Sci & Technol, Hawaii Inst Geophys & Planetol, Honolulu, HI 96822 USA. Lawrence Livermore Natl Lab, Livermore, CA 94451 USA. Tokyo Inst Technol, Dept Earth & Planetary Sci, Meguro Ku, Tokyo 1528551, Japan. NASA, Space Sci & Astrobiol Div, Ames Res Ctr, Moffett Field, CA 94035 USA. Univ Calif Los Angeles, Dept Earth & Space Sci, Los Angeles, CA 90095 USA. Ctr Rech Petrog & Geochim, CNRS, UPR 2300, F-54501 Vandoeuvre Les Nancy, France. Inst Natl Polytech Lorraine, Ecole Natl Super Geol, F-54501 Vandoeuvre Les Nancy, France. Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. Harvard Univ, Dept Earth & Planetary Sci, Cambridge, MA 02138 USA. RP Krot, AN (reprint author), Univ Hawaii Manoa, Sch Ocean & Earth Sci & Technol, Hawaii Inst Geophys & Planetol, 1680 East West Rd, Honolulu, HI 96822 USA. EM sasha@higp.hawaii.edu RI McKeegan, Kevin/A-4107-2008; UCLA, SIMS/A-1459-2011; Chaussidon, Marc/E-7067-2017 OI McKeegan, Kevin/0000-0002-1827-729X; NR 90 TC 62 Z9 62 U1 4 U2 10 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 2005 VL 622 IS 2 BP 1333 EP 1342 DI 10.1086/428382 PN 1 PG 10 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 912QD UT WOS:000228093400050 ER PT J AU Merkel, M Loeffler, B Kluger, M Fabig, N Aydin, B Geppert, G Pennacchio, LA Laatsch, A Heeren, J AF Merkel, M Loeffler, B Kluger, M Fabig, N Aydin, B Geppert, G Pennacchio, LA Laatsch, A Heeren, J TI Apolipoprotein AV accelerates plasma hydrolysis of triglyceride-rich lipoproteins by interaction with proteoglycan bound lipoprotein lipase SO ATHEROSCLEROSIS SUPPLEMENTS LA English DT Meeting Abstract CT 75th Congress of the European-Atherosclerosis-Society CY APR 23-26, 2005 CL Prague, CZECH REPUBLIC SP European Atherosclerosis Soc C1 Univ Hamburg Hosp, Dept Internal Med 1, D-2000 Hamburg, Germany. Univ Hamburg Hosp, Inst Mol Cell Biol, D-2000 Hamburg, Germany. Lawrence Berkeley Lab, Genome Sci Dept, Berkeley, CA USA. NR 0 TC 2 Z9 2 U1 0 U2 1 PU ELSEVIER IRELAND LTD PI CLARE PA ELSEVIER HOUSE, BROOKVALE PLAZA, EAST PARK SHANNON, CO, CLARE, 00000, IRELAND SN 1567-5688 J9 ATHEROSCLEROSIS SUPP JI Atheroscler. Suppl. PD APR PY 2005 VL 6 IS 1 BP 22 EP 22 DI 10.1016/S1567-5688(05)80086-8 PG 1 WC Peripheral Vascular Disease SC Cardiovascular System & Cardiology GA 921BK UT WOS:000228739000087 ER PT J AU Huby, T Doucet, C Dachet, C Ouzilleau, B Ueda, Y Afzal, V Rubin, E Chapman, J Lesnik, P AF Huby, T Doucet, C Dachet, C Ouzilleau, B Ueda, Y Afzal, V Rubin, E Chapman, J Lesnik, P TI Comparison of fully deficient versus liver-specific SR-BI KO mice strongly supports an atheroprotective role for SR-BI in extra-hepatic tissues SO ATHEROSCLEROSIS SUPPLEMENTS LA English DT Meeting Abstract CT 75th Congress of the European-Atherosclerosis-Society CY APR 23-26, 2005 CL Prague, CZECH REPUBLIC SP European Atherosclerosis Soc C1 Hop La Pitie, INSERM, U551, Paris, France. Kyoto Univ, Horizontal Med Res Org, Kyoto, Japan. Lawrence Berkeley Natl Lab, Berkeley, CA USA. RI Lesnik, Philippe/F-7803-2011; Huby, Thierry/E-6768-2017 NR 0 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER IRELAND LTD PI CLARE PA ELSEVIER HOUSE, BROOKVALE PLAZA, EAST PARK SHANNON, CO, CLARE, 00000, IRELAND SN 1567-5688 J9 ATHEROSCLEROSIS SUPP JI Atheroscler. Suppl. PD APR PY 2005 VL 6 IS 1 BP 39 EP 39 DI 10.1016/S1567-5688(05)80155-2 PG 1 WC Peripheral Vascular Disease SC Cardiovascular System & Cardiology GA 921BK UT WOS:000228739000156 ER PT J AU Rizzo, M Berneis, K Blanche, PJ Superko, RH Krauss, RM AF Rizzo, M Berneis, K Blanche, PJ Superko, RH Krauss, RM TI Effects of combined estrogen plus progestin hormone therapy on hepatic lipase and lipoprotein lipase levels SO ATHEROSCLEROSIS SUPPLEMENTS LA English DT Meeting Abstract CT 75th Congress of the European-Atherosclerosis-Society CY APR 23-26, 2005 CL Prague, CZECH REPUBLIC SP European Atherosclerosis Soc C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Childrens Hosp Oakland, Res Inst, Oakland, CA 94609 USA. Piedmont Hosp, Fuqua Heart Ctr, Atlanta, GA USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER IRELAND LTD PI CLARE PA ELSEVIER HOUSE, BROOKVALE PLAZA, EAST PARK SHANNON, CO, CLARE, 00000, IRELAND SN 1567-5688 J9 ATHEROSCLEROSIS SUPP JI Atheroscler. Suppl. PD APR PY 2005 VL 6 IS 1 BP 120 EP 120 DI 10.1016/S1567-5688(05)80471-4 PG 1 WC Peripheral Vascular Disease SC Cardiovascular System & Cardiology GA 921BK UT WOS:000228739000472 ER PT J AU Garcia, HE Yoo, TS AF Garcia, HE Yoo, TS TI Model-based detection of routing events in discrete flow networks SO AUTOMATICA LA English DT Article DE discrete flow network monitoring; surveillance and knowledge systems; discrete event systems ID SENSOR SELECTION; SYSTEMS; DIAGNOSIS AB A theoretical framework and its practical implications for formulating and implementing model-based monitoring of discrete flow networks are discussed. Possible flows of items are described as discrete-event (DE) traces. Each trace defines the DE sequence(s) that are triggered when an entity follows a given flow-path, visiting tracking locations within the monitored system. To deal with alternative routing, creation of items, flow bifurcations and convergences are allowed. Given the set of possible discrete flows, a possible-behavior model-an interacting set of automata-is constructed, where each automation models the item discrete flow at each tracking location. In this model, which assumes total observability, event labels or symbols contain all the information required to unambiguously distinguish each discrete movement. Within the possible behavior, there is a special sub-behavior whose occurrence is required to be detected. The special behavior may be specified by the occurrence of routing events, such as faults or route violations, for example. These intermittent or non-persistent events may occur repeatedly. An observation mask is then defined, characterizing the observation configuration available for collecting item tracking data. The verification task is to determine whether this observation configuration is capable of detecting the specified special behavior. The assessment is accomplished by evaluating several observability notions, such as delectability and diagnosibility. If the corresponding property is satisfied, associated formal observers are constructed to perform the monitoring task at hand. The synthesis of observation masks may also be conducted to suggest optimal observation configurations (specifying number, type, and tracking locations of observation devices) guaranteeing the detection of special events and to construct associated monitoring agents. The developed framework, modeling methodology, and supporting techniques for defining and implementing discrete flow monitoring of entity movements are presented and illustrated with examples. Published by Elsevier Ltd. C1 Argonne Natl Lab, Syst Modeling Anal & Control Grp, Idaho Falls, ID 83403 USA. RP Garcia, HE (reprint author), Argonne Natl Lab, Syst Modeling Anal & Control Grp, POB 2528, Idaho Falls, ID 83403 USA. EM garcia@anl.gov; tyoo@anlw.anl.gov NR 12 TC 15 Z9 15 U1 0 U2 3 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0005-1098 J9 AUTOMATICA JI Automatica PD APR PY 2005 VL 41 IS 4 BP 583 EP 594 DI 10.1016/j.automatica.2004.10.002 PG 12 WC Automation & Control Systems; Engineering, Electrical & Electronic SC Automation & Control Systems; Engineering GA 905JX UT WOS:000227565500003 ER PT J AU Kruzic, JJ Nalla, RK Kinney, JH Ritchie, RO AF Kruzic, JJ Nalla, RK Kinney, JH Ritchie, RO TI Mechanistic aspects of in vitro fatigue-crack growth in dentin SO BIOMATERIALS LA English DT Article DE dentin; fatigue; fracture mechanics; crack propagation ID ELEPHANT LOXODONTA-AFRICANA; VERTICAL ROOT FRACTURES; RESTORATIONS; SURVIVAL; FAILURE; TOOTH; BEHAVIOR; IVORY; TEETH; BONE AB Although the propagation of fatigue cracks has been recognized as a problem of clinical significance in dentin, there have been few fracture mechanics-based studies that have investigated this issue. In the present study, in vitro cyclic fatigue experiments were conducted over a range of cyclic frequencies (1-50 Hz) on elephant dentin in order to quantify fatigue-crack growth behavior from the perspective of understanding the mechanism of fatigue in dentin. Specifically, results obtained for crack extension rates along a direction parallel to the dentinal tubules were found to be well described by the stress-intensity range, AK, using a simple Paris power-law approach with exponents ranging from 12 to 32. Furthermore, a frequency dependence was observed for the crack-growth rates, with higher growth rates associated with lower frequencies. By using crack-growth experiments involving alternate cyclic and static loading, such fatigue-crack propagation was mechanistically determined to be the result of a "true" cyclic fatigue mechanism, and not simply a succession of static fracture events. Furthermore, based on the observed frequency dependence of fatigue-crack growth in dentin and observations of time-dependent crack blunting, a cyclic fatigue mechanism involving crack-tip blunting and re-sharpening is proposed. These results are deemed to be of importance for an improved understanding of fatigue-related failures in teeth. (C) 2004 Elsevier Ltd. All rights reserved. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Dept Mat Sci & Engn, Div Mat Sci, Berkeley, CA 94720 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Ritchie, RO (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Dept Mat Sci & Engn, Div Mat Sci, 381 Hearst Min Bldg, Berkeley, CA 94720 USA. EM roritchie@lbl.gov RI Ritchie, Robert/A-8066-2008; Kruzic, Jamie/M-3558-2014 OI Ritchie, Robert/0000-0002-0501-6998; Kruzic, Jamie/0000-0002-9695-1921 FU NIDCR NIH HHS [P01DE09859] NR 37 TC 37 Z9 38 U1 1 U2 9 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0142-9612 J9 BIOMATERIALS JI Biomaterials PD APR PY 2005 VL 26 IS 10 BP 1195 EP 1204 DI 10.1016/j.biomaterials.2004.04.051 PG 10 WC Engineering, Biomedical; Materials Science, Biomaterials SC Engineering; Materials Science GA 871QE UT WOS:000225147500013 PM 15451639 ER PT J AU Lu, H Stansbury, JW Nie, J Berchtold, KA Bowman, CN AF Lu, H Stansbury, JW Nie, J Berchtold, KA Bowman, CN TI Development of highly reactive mono-(meth)acrylates as reactive diluents for dimethacrylate-based dental resin systems SO BIOMATERIALS LA English DT Article DE dental resins; photopolymerization; reactive diluent; volumetric shrinkage ID LIGHT-INDUCED POLYMERIZATION; CROSS-LINKED PHOTOPOLYMERS; ACRYLIC-MONOMERS; MULTIFUNCTIONAL MONOMERS; BIS-GMA; COMPOSITES; SHRINKAGE; HETEROGENEITY; RESTORATIONS; CONVERSION AB Reactive diluents such as triethyleneglycol-dimethacrylate (TEGDMA) have been widely used with bisphenol-A-glycidyl-dimethacrylate (Bis-GMA) to achieve restorative resins with appropriate viscosity and higher conversion. However, additional water sorption and polymerization shrinkage were also introduced. The aim of this work is to investigate whether the cure and material properties can be improved in dental resins containing novel mono-(meth)acrylates as reactive diluents so that these Bis-GMA-based copolymers have reduced polymerization shrinkage but higher overall double bond conversion. Several ultra-high-reactivity mono-(meth)acrylates that contain secondary functionalities have been synthesized and investigated. The polymerization rate and double bond conversion were monitored using photo-FTIR. Polymerization shrinkage, dynamic mechanical analysis, and flexural strength were characterized. Compared with the Bis-GMA/TEGDMA control, the Bis-GMA/mono-methacrylate systems studied showed higher final conversions, faster curing rates, and decreased polymerization shrinkage. Our optimum system Bis-GMA/morpholine carbamate methacrylate achieved 86% final conversion (vs. 65%), a polymerization rate 3.5 times faster, and a 30% reduction in polymerization volumetric shrinkage. These results indicate that certain highly reactive, novel mono(meth)acrylates possess very promising potential to replace TEGDMA as reactive diluents and can readily be applied to develop superior dental resins. (C) 2004 Elsevier Ltd. All rights reserved. C1 Univ Colorado, Dept Biol & Chem Engn, Boulder, CO 80309 USA. Univ Colorado, Hlth Sci Ctr, Dept Restorat Dent, Denver, CO 80262 USA. Wuhan Univ, Coll Chem, Wuhan 430072, Hubei, Peoples R China. Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. RP Bowman, CN (reprint author), Univ Colorado, Dept Biol & Chem Engn, Ctr Engn, ECCH 111, Boulder, CO 80262 USA. EM christopher.bowman@colorado.edu RI Bowman, Christopher/B-1490-2008 OI Bowman, Christopher/0000-0001-8458-7723 FU NIDCR NIH HHS [DE10959] NR 40 TC 49 Z9 50 U1 4 U2 17 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0142-9612 J9 BIOMATERIALS JI Biomaterials PD APR PY 2005 VL 26 IS 12 BP 1329 EP 1336 DI 10.1016/j.biomaterials.2004.04.041 PG 8 WC Engineering, Biomedical; Materials Science, Biomaterials SC Engineering; Materials Science GA 880AG UT WOS:000225760100001 PM 15482820 ER PT J AU Monine, MI Berezhkovskii, AM Joslin, EJ Wiley, HS Lauffenburger, DA Shvartsman, SY AF Monine, MI Berezhkovskii, AM Joslin, EJ Wiley, HS Lauffenburger, DA Shvartsman, SY TI Ligand accumulation in autocrine cell cultures SO BIOPHYSICAL JOURNAL LA English DT Article ID GROWTH-FACTOR RECEPTOR; QUANTITATIVE-ANALYSIS; SPATIAL RANGE; HER2 LEVELS; BINDING; SYSTEM; MECHANISMS; RELEASE; DECOYS; MODEL AB Cell-culture assays are routinely used to analyze autocrine signaling systems, but quantitative experiments are rarely possible. To enable the quantitative design and analysis of experiments with autocrine cells, we develop a biophysical theory of ligand accumulation in cell-culture assays. Our theory predicts the ligand concentration as a function of time and measurable parameters of autocrine cells and cell-culture experiments. The key step of our analysis is the derivation of the survival probability of a single ligand released from the surface of an autocrine cell. An expression for this probability is derived using the boundary homogenization approach and tested by stochastic simulations. We use this expression in the integral balance equations, from which we find the Laplace transform of the ligand concentration. We demonstrate how the theory works by analyzing the autocrine epidermal growth factor receptor system and discuss the extension of our methods to other experiments with cultured autocrine cells. C1 Princeton Univ, Lewis Sigler Inst Integrat Genom, Carl Icahn Lab, Princeton, NJ 08544 USA. Princeton Univ, Dept Chem Engn, Princeton, NJ 08544 USA. NIH, Math & Stat Comp Lab, Div Computat Biol, Ctr Informat Technol, Bethesda, MD 20892 USA. MIT, Biol Engn Div, Cambridge, MA 02139 USA. Pacific NW Natl Lab, Div Biol Sci, Richland, WA USA. RP Monine, MI (reprint author), Princeton Univ, Lewis Sigler Inst Integrat Genom, Carl Icahn Lab, Washington Rd, Princeton, NJ 08544 USA. EM stas@princeton.edu OI Wiley, Steven/0000-0003-0232-6867 NR 23 TC 32 Z9 32 U1 0 U2 3 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD APR PY 2005 VL 88 IS 4 BP 2384 EP 2390 DI 10.1529/biophysj.104.051425 PG 7 WC Biophysics SC Biophysics GA 911EV UT WOS:000227986300002 PM 15653719 ER PT J AU Ventura, AC Bruno, L Demuro, A Parker, I Dawson, SP AF Ventura, AC Bruno, L Demuro, A Parker, I Dawson, SP TI A model-independent algorithm to derive Ca2+ fluxes underlying local cytosolic Ca2+ transients SO BIOPHYSICAL JOURNAL LA English DT Article ID CALCIUM-RELEASE FLUX; SKELETAL-MUSCLE; XENOPUS OOCYTES; SPARKS; CHANNELS; DYNAMICS; MYOCYTES; EVENTS; FROG AB Local intracellular Ca2+ signals result from Ca2+ flux into the cytosol through individual channels or clusters of channels. To gain a mechanistic understanding of these events we need to know the magnitude and spatial distribution of the underlying Ca2+ flux. However, this is difficult to infer from fluorescence Ca2+ images because the distribution of Ca2+-bound dye is affected by poorly characterized processes including diffusion of Ca2+ ions, their binding to mobile and immobile buffers, and sequestration by Ca2+ pumps. Several methods have previously been proposed to derive Ca2+ flux from fluorescence images, but all require explicit knowledge or assumptions regarding these processes. We now present a novel algorithm that requires few assumptions and is largely model-independent. By testing the algorithm with both numerically generated image data and experimental images of sparklets resulting from Ca2+ flux through individual voltage-gated channels, we show that it satisfactorily reconstructs the magnitude and time course of the underlying Ca2+ currents. C1 Univ Buenos Aires, Fac Ciencias Exactas & Nat, Dept Fis, RA-1428 Buenos Aires, DF, Argentina. Univ Calif Irvine, Dept Neurobiol & Behav, Irvine, CA USA. Los Alamos Natl Lab, T10 Theoret Biol & Biophys Grp, Los Alamos, NM USA. RP Dawson, SP (reprint author), Univ Buenos Aires, Fac Ciencias Exactas & Nat, Dept Fis, RA-1428 Buenos Aires, DF, Argentina. EM silvina@df.uba.ar OI Ponce Dawson, Silvina/0000-0001-6550-4267 FU NIGMS NIH HHS [R01 GM065830] NR 27 TC 13 Z9 13 U1 0 U2 0 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD APR PY 2005 VL 88 IS 4 BP 2403 EP 2421 DI 10.1529/biophysj.104.045260 PG 19 WC Biophysics SC Biophysics GA 911EV UT WOS:000227986300004 PM 15681645 ER PT J AU Sorin, EJ Pande, VS AF Sorin, EJ Pande, VS TI Exploring the helix-coil transition via all-atom equilibrium ensemble simulations SO BIOPHYSICAL JOURNAL LA English DT Article ID MOLECULAR-DYNAMICS SIMULATIONS; ALANINE-BASED PEPTIDE; ISOLATED-PAIR HYPOTHESIS; MECHANICS FORCE-FIELDS; POLYPROLINE II HELIX; ALPHA-HELIX; RICH PEPTIDES; FOLDING SIMULATIONS; SECONDARY STRUCTURE; CIRCULAR-DICHROISM AB The ensemble folding of two 21-residue alpha-helical peptides has been studied using all-atom simulations under several variants of the AMBER potential in explicit solvent using a global distributed computing network. Our extensive sampling, orders of magnitude greater than the experimental folding time, results in complete convergence to ensemble equilibrium. This allows for a quantitative assessment of these potentials, including a new variant of the AMBER-99 force field, denoted AMBER-99 phi, which shows improved agreement with experimental kinetic and thermodynamic measurements. From bulk analysis of the simulated AMBER-99 phi equilibrium, we find that the folding landscape is pseudo-two-state, with complexity arising from the broad, shallow character of the "native'' and "unfolded" regions of the phase space. Each of these macrostates allows for configurational diffusion among a diverse ensemble of conformational microstates with greatly varying helical content and molecular size. Indeed, the observed structural dynamics are better represented as a conformational diffusion than as a simple exponential process, and equilibrium transition rates spanning several orders of magnitude are reported. After multiple nucleation steps, on average, helix formation proceeds via a kinetic "alignment" phase in which two or more short, low-entropy helical segments form a more ideal, single-helix structure. C1 Stanford Univ, Dept Chem, 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, Dept Biol Struct, Stanford, CA 94305 USA. EM pande@stanford.edu NR 76 TC 439 Z9 442 U1 4 U2 80 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD APR PY 2005 VL 88 IS 4 BP 2472 EP 2493 DI 10.1529/biophysj.104.051938 PG 22 WC Biophysics SC Biophysics GA 911EV UT WOS:000227986300010 PM 15665128 ER PT J AU Sorin, EJ Rhee, YM Pande, VS AF Sorin, EJ Rhee, YM Pande, VS TI Does water play a structural role in the folding of small nucleic acids? SO BIOPHYSICAL JOURNAL LA English DT Article ID MOLECULAR-DYNAMICS SIMULATIONS; IMPLICIT SOLVENT MODEL; FREE-ENERGY LANDSCAPE; DNA HAIRPINS; PROTEIN-G; COLLAPSE; SOLVATION; PAIRS AB Nucleic acid structure and dynamics are known to be closely coupled to local environmental conditions and, in particular, to the ionic character of the solvent. Here we consider what role the discrete properties of water and ions play in the collapse and folding of small nucleic acids. We study the folding of an experimentally well-characterized RNA hairpin-loop motif ( sequence 5'-GGGC[GCAA]GCCU-3') via ensemble molecular dynamics simulation and, with nearly 500 mu s of aggregate simulation time using an explicit representation of the ionic solvent, report successful ensemble folding simulations with a predicted folding time of 8.8(+/- 2.0) mu s, in agreement with experimental measurements of similar to 10 mu s. Comparing our results to previous folding simulations using the GB/SA continuum solvent model shows that accounting for water-mediated interactions is necessary to accurately characterize the free energy surface and stochastic nature of folding. The formation of the secondary structure appears to be more rapid than the fastest ionic degrees of freedom, and counterions do not participate discretely in observed folding events. We find that hydrophobic collapse follows a predominantly expulsive mechanism in which a diffusion-search of early structural compaction is followed by the final formation of native structure that occurs in tandem with solvent evacuation. C1 Stanford Univ, Dept Chem, 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, Dept Biol Struct, Stanford, CA 94305 USA. EM pande@stanford.edu RI Rhee, Young/E-9940-2012 FU NIGMS NIH HHS [P01 GM066275, P01-GM066275] NR 32 TC 68 Z9 71 U1 2 U2 39 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD APR PY 2005 VL 88 IS 4 BP 2516 EP 2524 DI 10.1529/biophysj.104.055087 PG 9 WC Biophysics SC Biophysics GA 911EV UT WOS:000227986300012 PM 15681648 ER PT J AU Marxer, CG Kraft, ML Weber, PK Hutcheon, ID Boxer, SG AF Marxer, CG Kraft, ML Weber, PK Hutcheon, ID Boxer, SG TI Supported membrane composition analysis by secondary ion mass spectrometry with high lateral resolution SO BIOPHYSICAL JOURNAL LA English DT Article ID FLUORESCENCE CORRELATION SPECTROSCOPY; ATOMIC-FORCE MICROSCOPY; SCANNING OPTICAL MICROSCOPY; MODEL MEMBRANES; LIPID-BILAYERS; LIQUID-PHASES; PHOSPHOLIPID-BILAYERS; PULMONARY SURFACTANT; INTERPLANETARY DUST; TERNARY MIXTURES AB The lateral organization of lipid components within membranes is usually investigated with fluorescence microscopy, which, though highly sensitive, introduces bulky fluorophores that might alter the behavior of the components they label. Secondary ion mass spectroscopy performed with a NanoSIMS 50 instrument also provides high lateral resolution and sensitivity, and many species can be observed in parallel without the use of bulky labels. A tightly focused beam (similar to 100 nm) of Cs ions is scanned across a sample, and up to five of the resulting small negative secondary ions can be simultaneously analyzed by a high-resolution mass spectrometer. Thin layers of N-15- and F-19-labeled proteins were microcontact-printed on an oxidized silicon substrate and imaged using the NanoSIMS 50, demonstrating the sensitivity and selectivity of this approach. Supported lipid bilayers were assembled on an oxidized silicon substrate, then flash-frozen and freeze-dried to preserve their lateral organization. Lipid bilayers were analyzed with the NanoSIMS 50, where the identity of each specific lipid was determined through detection of its unique secondary ions, including (CH-)-C-12-H-1, (CH-)-C-12-H-2, C-13(-), (CN-)-C-12-N-14, and (CN-)-C-12-N-15. Steps toward obtaining quantitative composition analysis of lipid membranes that varied spatially in isotopic composition are presented. This approach has the potential to provide a composition-specific analysis of membrane organization that compliments other imaging modalities. C1 Stanford Univ, Dept Chem, Stanford, CA 94305 USA. Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Boxer, SG (reprint author), Stanford Univ, Dept Chem, Stanford, CA 94305 USA. EM sboxer@stanford.edu RI Wunder, Stephanie/B-5066-2012; Zdilla, Michael/B-4145-2011 NR 69 TC 33 Z9 33 U1 2 U2 3 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 2005 VL 88 IS 4 BP 2965 EP 2975 DI 10.1529/biophysj.104.057257 PG 11 WC Biophysics SC Biophysics GA 911EV UT WOS:000227986300054 ER PT J AU Mosier, N Wyman, C Dale, B Elander, R Lee, YY Holtzapple, M Ladisch, M AF Mosier, N Wyman, C Dale, B Elander, R Lee, YY Holtzapple, M Ladisch, M TI Features of promising technologies for pretreatment of lignocellulosic biomass SO BIORESOURCE TECHNOLOGY LA English DT Review ID DILUTE-ACID PRETREATMENT; COMPRESSION-MILLING PRETREATMENT; STEAM-EXPLOSION PRETREATMENT; ENHANCE METHANE FERMENTATION; RECYCLED PERCOLATION PROCESS; ENZYMATIC-HYDROLYSIS; ETHANOL-PRODUCTION; SULFURIC-ACID; THERMOCHEMICAL PRETREATMENT; LIME PRETREATMENT AB Cellulosic plant material represents an as-of-yet untapped source of fermentable sugars for significant industrial use. Many physio-chemical structural and compositional factors hinder the enzymatic digestibility of cellulosic present in lignocellulose biomass. The goal of any pretreatment technology is to alter or remove structural and compositional impediments to hydrolysis in order to improve the rate of enzyme hydrolysis and increase yields of fermentable sugars from cellulose or hemicellulose. These methods cause physical and/or chemical changes in the plant biomass in order to achieve this result. Experimental investigation of physical changes and chemical reactions that occur during pretreatment is required for the development of effective and mechanistic models that can be used for the rational design of pretreatment processes. Furthermore, pretreatment processing conditions must be tailored to the specific chemical and structural composition of the various. and variable. sources of lignocellulosic biomass. This paper reviews process parameters and their fundamental modes of action for promising pretreatment methods. (C) 2004 Elsevier Ltd. All rights reserved. C1 Purdue Univ, Potter Engn Ctr, Dept Agr & Biol Engn, Renewable Resources Engn Lab, W Lafayette, IN 47907 USA. Dartmouth Coll, Thayer Sch Engn, Hanover, NH 03755 USA. Michigan State Univ, E Lansing, MI 48824 USA. Natl Renewable Energy Lab, Golden, CO 80401 USA. Auburn Univ, Auburn, AL 36849 USA. Texas A&M Univ, Dept Chem Engn, College Stn, TX 77843 USA. RP Ladisch, M (reprint author), Purdue Univ, Potter Engn Ctr, Dept Agr & Biol Engn, Renewable Resources Engn Lab, 500 Cent Dr, W Lafayette, IN 47907 USA. EM ladisch@ecn.purdue.edu NR 163 TC 2544 Z9 2722 U1 134 U2 1309 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0960-8524 EI 1873-2976 J9 BIORESOURCE TECHNOL JI Bioresour. Technol. PD APR PY 2005 VL 96 IS 6 BP 673 EP 686 DI 10.1016/j.biortech.2004.06.025 PG 14 WC Agricultural Engineering; Biotechnology & Applied Microbiology; Energy & Fuels SC Agriculture; Biotechnology & Applied Microbiology; Energy & Fuels GA 889NW UT WOS:000226450700004 PM 15588770 ER PT J AU Chandler, DP Jarrell, AE AF Chandler, DP Jarrell, AE TI Taking arrays from the lab to the field: trying to make sense of the unknown SO BIOTECHNIQUES LA English DT Article; Proceedings Paper CT 104th General Meeting of the American-Society-for-Microbiology CY MAY 23-27, 2004 CL New Orleans, LA SP Amer Soc Microbiol ID 16S RIBOSOMAL-RNA; NONEQUILIBRIUM DISSOCIATION APPROACH; GEL-IMMOBILIZED OLIGONUCLEOTIDES; POLYMERASE CHAIN-REACTION; MICROBIAL COMMUNITIES; GENE-EXPRESSION; DNA MICROARRAY; HYBRIDIZATION; MICROCHIPS; GENOME AB With the rapid pace of nucleic acid microarray technology development and a renewed national emphasis on detecting and characterizing microorganisms in environmental samples, there is a rush to operationalize existing microarray technologies and apply them to uncharacterized environmental backgrounds. The purpose of this article is to pause and ask a basic question: what do microarray data actually mean in the face of uncharacterized sample backgrounds? In attempting to answer this question, we draw a clear distinction between hypothesis-driven fundamental science and operational uses of microarray technology; assess microarray technology assumptions in the face of uncharacterized environments; offer an environmental microbiologist's perspective on technology needs and requirements for quantitatively analyzing microbial communities; and hopefully stimulate a scientific and technical dialogue around the concept of analytical environmental microbiology and future technology development. C1 Argonne Natl Lab, Argonne, IL 60439 USA. RP Chandler, DP (reprint author), Argonne Natl Lab, 9700 S Cass Ave,Room A-249, Argonne, IL 60439 USA. EM dchandler@anl.gov NR 59 TC 16 Z9 17 U1 0 U2 0 PU EATON PUBLISHING CO PI WESTBOROUGH PA ONE RESEARCH DRIVE, SUITE 400A, PO BOX 1070, WESTBOROUGH, MA 01581-6070 USA SN 0736-6205 J9 BIOTECHNIQUES JI Biotechniques PD APR PY 2005 VL 38 IS 4 BP 591 EP 600 DI 10.2144/05384PS01 PG 10 WC Biochemical Research Methods; Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 916HJ UT WOS:000228375700012 PM 15884677 ER PT J AU Feng, J Himmel, ME Decker, SR AF Feng, J Himmel, ME Decker, SR TI Electrochemical oxidation of water by a cellobiose dehydrogenase from Phanerochaete chrysosporium SO BIOTECHNOLOGY LETTERS LA English DT Article DE cellobiose dehydrogenase; cyclic voltammetry; enzyme electrode; pyrolytic graphite ID ELECTRON-TRANSFER; VOLTAMMETRY; ENZYME; FILM AB Cellobiose dehydrogenase (CDH) is a redox protein containing two electron transfer centers; a flavin coenzyme performing a two-electron transfer reaction and an iron-heme coenzyme facilitating single-electron transfer. Purified CDH from Phanerochaete chrysosporium was immobilized on a pyrolytic graphite electrode and electron transfer from cellobiose to the electrode was generated. With cellobiose present during cyclic voltammetry, this novel enzyme/electrode system exhibited sharp, stable oxidation peaks with slower, though equivalent, reduction peaks. During cyclic voltammetry without substrate, the enzyme was rapidly oxidized during the initial scan, with no corresponding enzyme reduction during the reducing half of the cycle. After resting for several hours in aqueous buffer, the full oxidation current appeared again. These results suggest that the CDH is reduced by water splitting, albeit at a slow rate. C1 Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA. RP Decker, SR (reprint author), Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA. EM steve_decker@nrel.gov NR 14 TC 1 Z9 1 U1 0 U2 1 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0141-5492 J9 BIOTECHNOL LETT JI Biotechnol. Lett. PD APR PY 2005 VL 27 IS 8 BP 555 EP 560 DI 10.1007/s10529-005-2881-8 PG 6 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA 965MT UT WOS:000231955300005 PM 15973489 ER PT J AU Tague, RT Fore, SA AF Tague, RT Fore, SA TI Analysis of the spatial genetic structure of Passiflora incarnata in recently disturbed sites SO CANADIAN JOURNAL OF BOTANY-REVUE CANADIENNE DE BOTANIQUE LA English DT Article DE allozymes; passionflower; spatial; genetic structure; early colonizer; Passiflora incarnata ID POPULATION-STRUCTURE; DIVERSITY; BRASSICACEAE; DISTANCE; SYSTEMS; GENDER AB In early successional species, short life span and frequent spatial relocation may affect the distribution of genetic variation but the pattern may be altered by reproductive patterns. Passiflora incarnata L. (Passifloraceae), an early successional vine found throughout the southeastern United States, reproduces sexually and asexually through clonal sprouts. We examined the genetic structure of P. incarnata in recently disturbed habitats at three spatial scales: within a patch, among patches separated by 250 m, and between sites separated by 10 km. Genetic variation may be clumped at the scale of neighboring plants if stem resprouting is significant. In each patch, eleven arbitrarily selected plants and their four nearest neighbors were mapped and leaf samples were collected for genetic analysis. The multilocus genotype of each individual for seven polymorphic allozymes was determined. Potential clones were determined by estimating the probability of a second occurrence of each genotype and a multilocus coefficient of coancestry. Data indicated P. incarnata was reproducing primarily sexually. Most of the genetic variation was within a patch with little variation among patches. These data suggest that the genetic structure of this colonizing species was determined by founder effects interacting with long distance pollen movement. C1 Truman State Univ, Div Sci, Kirksville, MO 63501 USA. Savannah River Ecol Lab, Aiken, SC 29802 USA. RP Fore, SA (reprint author), Truman State Univ, Div Sci, Kirksville, MO 63501 USA. EM sfore@truman.edu NR 30 TC 3 Z9 3 U1 1 U2 5 PU NATL RESEARCH COUNCIL CANADA PI OTTAWA PA RESEARCH JOURNALS, MONTREAL RD, OTTAWA, ONTARIO K1A 0R6, CANADA SN 0008-4026 J9 CAN J BOT JI Can. J. Bot.-Rev. Can. Bot. PD APR PY 2005 VL 83 IS 4 BP 420 EP 426 DI 10.1139/B05-014 PG 7 WC Plant Sciences SC Plant Sciences GA 922VG UT WOS:000228867400011 ER PT J AU Druckenbrod, DL AF Druckenbrod, DL TI Dendroecological reconstructions of forest disturbance history using time-series analysis with intervention detection SO CANADIAN JOURNAL OF FOREST RESEARCH-REVUE CANADIENNE DE RECHERCHE FORESTIERE LA English DT Article ID OLD-GROWTH STANDS; HURRICANE DAMAGE; HARDWOOD FOREST; RADIAL-GROWTH; NEW-HAMPSHIRE; OUTLIERS; CLIMATE; PATTERNS; CRITERIA; SHIFTS AB The detection of release events in the annual growth increments of trees has become a central and widely applied method for reconstructing the disturbance history of forests. While numerous approaches have been developed for identifying release events, the preponderance of these methods relies on running means that compare the percent change in growth rates. These methods do not explicitly account for the autocorrelation present within tree-ring width measurements and may introduce spurious events. This paper utilizes autoregressive integrated moving-average (ARIMA) processes to model tree-ring time series and incorporates intervention detection to identify pulse and step outliers as well as changes in trends indicative of a deterministic exogenous influence on past growth. This approach is evaluated by applying it to three chronologies from the Forest Responses to Anthropogenic Stress (FORAST) project that were impacted by prior disturbance events. The examples include a hemlock (Tsuga canadensis (L.) Carriere) chronology from New Hampshire, a white pine (Pinus strobus L.) chronology from Pennsylvania, and an American beech (Fagus grandifolia Ehrh.) chronology from Virginia. All three chronologies exhibit a clustering of step, pulse, and trend interventions subsequent to a known or likely disturbance event. Time-series analysis offers an alternative approach for identifying prior forest disturbances via tree rings based on statistical methods applicable across species and disturbance regimes. C1 Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Druckenbrod, DL (reprint author), Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA. EM druckenbrodd@ornl.gov RI Druckenbrod, Daniel/L-4717-2013; OI Druckenbrod, Daniel/0000-0003-2998-0017 NR 52 TC 28 Z9 29 U1 3 U2 18 PU NATL RESEARCH COUNCIL CANADA PI OTTAWA PA RESEARCH JOURNALS, MONTREAL RD, OTTAWA, ONTARIO K1A 0R6, CANADA SN 0045-5067 J9 CAN J FOREST RES JI Can. J. For. Res.-Rev. Can. Rech. For. PD APR PY 2005 VL 35 IS 4 BP 868 EP 876 DI 10.1139/X05-020 PG 9 WC Forestry SC Forestry GA 930KL UT WOS:000229414600011 ER PT J AU Cheng, KW Lahad, JP Gray, JW Mills, GB AF Cheng, KW Lahad, JP Gray, JW Mills, GB TI Emerging role of RAB GTPases in cancer and human disease SO CANCER RESEARCH LA English DT Review ID COMPARATIVE GENOMIC HYBRIDIZATION; GENE-EXPRESSION PATTERNS; OVARIAN-CANCER; BREAST-CANCER; PIK3CA; TUMORS; CARCINOMAS; MUTATIONS AB Emerging evidence implicates alterations in the RAB small GTPases and their associated regulatory proteins and effectors in multiple human diseases including cancer. We have recently shown that RAB25, located at chromosome 1q22, is amplified at the DNA level and overexpressed at the RNA level in ovarian and breast cancer. These changes correlated with a worsened outcome in both diseases. In addition, enforced expression of RAB25 in both breast and ovarian cancer cells decreased apoptosis and increased proliferation and aggressiveness in vivo, potentially explaining the worsened prognosis. A better understanding of genetic alterations as well as the physiologic and pathophysiologic roles of RAB GTPases may open new opportunities for therapeutic intervention and better outcomes. C1 Univ Texas, MD Anderson Canc Ctr, Dept Mol Therapeut, Houston, TX 77054 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Cheng, KW (reprint author), Univ Texas, MD Anderson Canc Ctr, Dept Mol Therapeut, 7777 Knight Rd,Box 184, Houston, TX 77054 USA. EM kwcheng@mdanderson.org FU NCI NIH HHS [P50-CA58207, P30 CA16672-28, P50-CA83639]; OAPP OPHS HHS [PPG-P01 CA64602] NR 27 TC 135 Z9 142 U1 0 U2 6 PU AMER ASSOC CANCER RESEARCH PI PHILADELPHIA PA 615 CHESTNUT ST, 17TH FLOOR, PHILADELPHIA, PA 19106-4404 USA SN 0008-5472 J9 CANCER RES JI Cancer Res. PD APR 1 PY 2005 VL 65 IS 7 BP 2516 EP 2519 DI 10.1158/0008-5472.CAN-05-0573 PG 4 WC Oncology SC Oncology GA 911AB UT WOS:000227972300003 PM 15805241 ER PT J AU Nilsson, A Pettersson, LGM Hammer, B Bligaard, T Christensen, CH Norskov, JK AF Nilsson, A Pettersson, LGM Hammer, B Bligaard, T Christensen, CH Norskov, JK TI The electronic structure effect in heterogeneous catalysis SO CATALYSIS LETTERS LA English DT Article DE electronic structure; chemical bonding; density functional theory; X-ray spectroscopy ID DENSITY-FUNCTIONAL THEORY; TOTAL-ENERGY CALCULATIONS; EVANS-POLANYI RELATION; X-RAY-EMISSION; METAL-SURFACES; CHEMICAL-BOND; ADSORPTION; TRANSITION; CHEMISORPTION; SPECTROSCOPY AB Using a combination of density functional theory calculations and X-ray emission and absorption spectroscopy for nitrogen on Cu and Ni surfaces, a detailed picture is given of the chemisorption bond. It is suggested that the adsorption bond strength and hence the activity of transition metal surfaces as catalysts for chemical reactions can be related to certain characteristics of the surface electronic structure. C1 Stanford Synchrotron Radiat Lab, Stanford, CA 94309 USA. Stockholm Univ, AlbaNova Univ Ctr, FYSIKUM, S-10691 Stockholm, Sweden. Aarhus Univ, Inst Phys & Astron, DK-8000 Aarhus, Denmark. Tech Univ Denmark, Dept Phys, Ctr Atom Scale Mat Phys, DK-2800 Lyngby, Denmark. Tech Univ Denmark, Dept Chem, Ctr Atom Scale Mat Phys, DK-2800 Lyngby, Denmark. RP Nilsson, A (reprint author), Stanford Synchrotron Radiat Lab, Box 20450, Stanford, CA 94309 USA. EM nilsson@slac.stanford.edu RI Bligaard, Thomas/A-6161-2011; Nilsson, Anders/E-1943-2011; Pettersson, Lars/F-8428-2011; Hammer, Bjork/C-3701-2013; Pettersson, Lars/J-4925-2013; Christensen, Christian/D-6461-2012; Norskov, Jens/D-2539-2017; OI Bligaard, Thomas/0000-0001-9834-9179; Nilsson, Anders/0000-0003-1968-8696; Pettersson, Lars/0000-0003-1133-9934; Christensen, Christian/0000-0002-1850-0121; Norskov, Jens/0000-0002-4427-7728; Hammer, Bjork/0000-0002-7849-6347 NR 27 TC 90 Z9 90 U1 6 U2 99 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013 USA SN 1011-372X J9 CATAL LETT JI Catal. Lett. PD APR PY 2005 VL 100 IS 3-4 BP 111 EP 114 DI 10.1007/s10562-004-3434-9 PG 4 WC Chemistry, Physical SC Chemistry GA 914KP UT WOS:000228226800001 ER PT J AU Contreras, AM Grunes, J Yan, XM Liddle, A Somorjai, GA AF Contreras, AM Grunes, J Yan, XM Liddle, A Somorjai, GA TI Fabrication of platinum nanoparticles and nanowires by electron beam lithography (EBL) and nanoimprint lithography (NIL): comparison of ethylene hydrogenation kinetics SO CATALYSIS LETTERS LA English DT Article DE ethylene hydrogenation; CO poisoning; electron beam lithography; size reduction lithography; nanoimprint lithography; platinum nanoparticles; platinum nanowires ID SINGLE-CRYSTAL SURFACES; DEUTERIUM-EXCHANGE REACTIONS; SUM-FREQUENCY GENERATION; ATMOSPHERIC-PRESSURE; IMPRINT LITHOGRAPHY; PT(111) SURFACE; NORMAL-HEXANE; CO OXIDATION; CYCLOHEXENE; TECHNOLOGY AB Electron beam lithography (EBL),size reduction lithography (SRL), and nanoimprint lithography (NIL) have been utilized to produce platinum nanoparticles and nanowires in the 20-60-nm size range on oxide films (SiO2 and Al2O3) deposited onto silicon wafers. A combination of characterization techniques (SEM, AFM, XPS, AES) has been used to determine size, spatial arrangement and cleanliness of these fabricated catalysts. Ethylene hydrogenation reaction studies have been carried out over these fabricated catalysts and have revealed major differences in turnover rates and activation energies of the different nanostructures when clean and when poisoned with carbon monoxide. The oxide-metal interfaces are implicated as important reaction sites that remain active when the metal sites are poisoned by adsorbed carbon monoxide. C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 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. RP Contreras, AM (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. RI Liddle, James/A-4867-2013 OI Liddle, James/0000-0002-2508-7910 NR 32 TC 39 Z9 39 U1 0 U2 13 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013 USA SN 1011-372X J9 CATAL LETT JI Catal. Lett. PD APR PY 2005 VL 100 IS 3-4 BP 115 EP 124 DI 10.1007/s10562-004-3436-7 PG 10 WC Chemistry, Physical SC Chemistry GA 914KP UT WOS:000228226800002 ER PT J AU Yang, X Beckwith, A Strikovski, M Miller, JH Wood, LT AF Yang, X Beckwith, A Strikovski, M Miller, JH Wood, LT TI Pulsed laser deposition of a PBN : 65 morphotropic phase boundary thin film with large electrostriction SO CENTRAL EUROPEAN JOURNAL OF PHYSICS LA English DT Article DE epitaxial thin films; field-induced strain; electrostrictive constant ID FERROELECTRIC PROPERTIES; CRYSTALS; OPTICS AB We deposited epitaxial thin films of Morphotropic Phase Boundary (MPB) Pb0.65Ba0.35Nb2O6(PBN:65) on MgO substrates using pulsed laser deposition. Afterwards, a novel transmission optical experiment was developed to measure the electric field-induced bending angle of the thin film sample using a divergent incident light. From which the electric field-induced strain was obtained, and it was used to calculate the electrostrictive constant of the PBN thin film. The result is 0.000875 mu m(2)/V-2, and it is consistent with what we measured in the reflection experiment (C) Central European Science Journals. All rights reserved. C1 Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Univ Houston, Dept Phys, Houston, TX 77204 USA. RP Yang, X (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM projectbeckwith2@yahoo.com NR 16 TC 1 Z9 1 U1 0 U2 0 PU CENTRAL EUROPEAN SCIENCE JOURNALS PI WARSAW PA 8, MARIENSZTAT ST, 00-302 WARSAW, POLAND SN 1644-3608 J9 CENT EUR J PHYS JI Cent. Eur. J. Phys. PD APR PY 2005 VL 3 IS 2 BP 178 EP 185 DI 10.2478/BF02475585 PG 8 WC Physics, Multidisciplinary SC Physics GA 947CD UT WOS:000230619300003 ER PT J AU Tuberville, TD Buhlmann, KA Bjorkland, RK Booher, D AF Tuberville, TD Buhlmann, KA Bjorkland, RK Booher, D TI Ecology of the Jamaican slider turtle (Trachemys terrapen), with implications for conservation and management SO CHELONIAN CONSERVATION AND BIOLOGY LA English DT Article DE Reptilia; Testudines; Emydidae; Trachemys terrapen; Trachemys scripta elegans; turtle; distribution; ecology; conservation; status; natural history; Jamaica; West Indies AB We investigated populations of the Jamaican slider turtle (Trachemys terrapen), a species apparently endemic to Jamaica and the only native freshwater turtle species known to occur there. We captured 54 turtles at four sites (three along the southern coast and one in the northwest) representing a variety of habitats, including a permanently ponded wetland, farm ponds, and a stream in karst landscape. Turtles were also found in a series of seasonal ponds where they retreat into cave refugia during dry periods when eaves remain flooded, thus allowing the slider population to exist in this seasonally and landscape. We did not observe or capture turtles during limited sampling in a large river or a brackish mangrove swamp. Individuals from the northwest population (n=12) were morphologically distinct from turtles captured along the south coast (n=42) and descriptions provided in the literature for T. terrapen. Jamaican slider turtles are harvested incidentally by local residents wherever they are found, and concentrated populations, such as those in cave refugia, are heavily exploited. Our preliminary research suggests that T. terrapen is a highly threatened species needing conservation action in order to ensure its persistence. C1 Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. Conservat Int, Ctr Appl Biodivers Sci, Washington, DC 20036 USA. Univ Georgia, Inst Ecol, Athens, GA 30602 USA. RP Tuberville, TD (reprint author), Univ Georgia, Savannah River Ecol Lab, PO Drawer E, Aiken, SC 29802 USA. EM tuberville@srel.edu; kbuhlmann@earthlink.net; rhemaker@hotmail.com NR 17 TC 2 Z9 5 U1 1 U2 7 PU CHELONIAN RESEARCH FOUNDATION PI LUNENBURG PA 168 GOODRICH ST., LUNENBURG, MA USA SN 1071-8443 J9 CHELONIAN CONSERV BI JI Chelonian Conserv. Biol. PD APR PY 2005 VL 4 IS 4 BP 908 EP 915 PG 8 WC Zoology SC Zoology GA 964JG UT WOS:000231876400021 ER PT J AU Hagen, C Ching, IYS AF Hagen, C Ching, IYS TI Distribution, natural history, and exploitation of Leucocephalon yuwonoi in Central Sulawesi, Indonesia SO CHELONIAN CONSERVATION AND BIOLOGY LA English DT Article ID LONG-LIVED ORGANISMS; DEMOGRAPHICS; CONSERVATION; MANAGEMENT AB The Sulawesi forest turtle, Leucocephalon yuwonoi, is Critically Endangered and exploited for the food and pet trade, but little is known of its ecology. We accompanied a group of commercial turtle collectors into the wild and obtained preliminary data on habitat, diet, and exploitation. C1 Turtle Dreams, Chelonian Rescue Rehabil Educ & Conservat Facil, Ventura, CA 93006 USA. RP Hagen, C (reprint author), Univ Georgia, Savannah River Ecol Lab, Drawer E, Aiken, SC 29802 USA. EM tomistoma@yahoo.com; iwalaniching@yahoo.com NR 10 TC 1 Z9 1 U1 3 U2 6 PU CHELONIAN RESEARCH FOUNDATION PI LUNENBURG PA 168 GOODRICH ST., LUNENBURG, MA USA SN 1071-8443 J9 CHELONIAN CONSERV BI JI Chelonian Conserv. Biol. PD APR PY 2005 VL 4 IS 4 BP 948 EP 951 PG 4 WC Zoology SC Zoology GA 964JG UT WOS:000231876400027 ER PT J AU Burnham, AK AF Burnham, AK TI An nth-order Gaussian energy distribution model for sintering SO CHEMICAL ENGINEERING JOURNAL LA English DT Article DE sintering; kinetics; activation energy distributions; modeling; hydroxyapatite ID ORGANIC-MATTER DIAGENESIS; SURFACE-AREA REDUCTION; PYROLYSIS KINETICS; HEAT AB Although it is well known that the rate of sintering is governed by deceleratory kinetics, it is often difficult to fit power-law and nth-order reaction models over broad time-temperature ranges. This work shows that a phenomenological model combining a reaction order with an activation energy distribution can correlate surface area as a function of sintering time and temperature over a greater range of those variables. Qualitatively, the activation energy distribution accounts for the dependence of free energy on particle size and material defects, while the reaction order accounts for geometric factors such as a distribution of diffusion lengths. The model is demonstrated for sintering of hydroxyapatite using data of Bailliez and Nzihou [S. Bailliez, A. Nzihou, Chem. Eng. J. 98 (2004) 141-152]. © 2004 Elsevier B.V. All rights reserved. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Burnham, AK (reprint author), Lawrence Livermore Natl Lab, POB 808,L-282, Livermore, CA 94551 USA. EM burnham1@llnl.gov NR 20 TC 16 Z9 18 U1 0 U2 6 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 1385-8947 J9 CHEM ENG J JI Chem. Eng. J. PD APR 1 PY 2005 VL 108 IS 1-2 BP 47 EP 50 DI 10.1016/j.cej.2004.12.037 PG 4 WC Engineering, Environmental; Engineering, Chemical SC Engineering GA 923WI UT WOS:000228939800005 ER PT J AU Xia, G Holladay, JD Dagle, RA Jones, EO Wang, Y AF Xia, G Holladay, JD Dagle, RA Jones, EO Wang, Y TI Development of highly active Pd-ZnO/Al2O3 catalysts for microscale fuel processor applications SO CHEMICAL ENGINEERING & TECHNOLOGY LA English DT Article ID SUPPORTED PD CATALYSTS; PD/ZNO CATALYSTS; METHANOL AB A series of alumina supported Pd-ZnO catalysts were synthesized and studied for methanol steam reforming. Pd loading and Pd/Zn ratio were optimized to improve catalyst activities. Among all the catalysts studied, the catalyst with a I'd loading of 8.9 wt % and a Pd/Zn molar ratio of 0.38 exhibited the highest methanol conversion and the lowest CO selectivity. The significantly improved Pd-ZnO/Al2O3 catalyst activity was one of the main factors improving the efficiency of a microscale fuel processor from 9 % to 15 %. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Xia, G (reprint author), Pacific NW Natl Lab, 902 Battle Blvd,POB 999, Richland, WA 99352 USA. EM yong-wang@pnl.gov RI Wang, Yong/C-2344-2013 NR 16 TC 28 Z9 28 U1 2 U2 14 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 2005 VL 28 IS 4 BP 515 EP 519 DI 10.1002/ceat.200407174 PG 5 WC Engineering, Chemical SC Engineering GA 919DI UT WOS:000228598100017 ER PT J AU Harmon, SM King, JK Gladden, JB Chandler, GT Newman, LA AF Harmon, SM King, JK Gladden, JB Chandler, GT Newman, LA TI Mercury body burdens in Gambusia holbrooki and Erimyzon sucetta in a wetland mesocosm amended with sulfate SO CHEMOSPHERE LA English DT Article DE mercury; methylmercury; Gambusia holbrooki; Erimyzon sucetta; sulfate ID DESULFOVIBRIO-DESULFURICANS LS; ATOMIC FLUORESCENCE DETECTION; NORTHERN FLORIDA EVERGLADES; AQUEOUS-PHASE ETHYLATION; METHYL MERCURY; GAS-CHROMATOGRAPHY; ESTUARINE SEDIMENT; METHYLMERCURY; FISH; ECOSYSTEMS AB This study used an experimental model of a constructed wetland to evaluate the risk of mercury methylation when the soil is amended with sulfate. The model was planted with Schoenoplectus californicus and designed to reduce copper, mercury, and metal-related toxicity in a wastestream. The sediments of the model were varied during construction to provide a control and two levels of sulfate treatment, thus allowing characterization of sulfate's effect on mercury methylation and bioaccumulation in periphyton and two species of fish-eastern mosquitofish (Gambusia holbrooki) and lake chubsucker (Erimyzon sucetta). After one year in the experimental model, mean dry-weight normalized total mercury concentrations in mosquitofish from the non-sulfate treated controls (374 +/- 77 ng/g) and the reference location (233 +/- 17 ng/g) were significantly lower than those from the low and high sulfate treatments (520 +/- 73 and 613 +/- 80 ng/g, respectively). For lake chubsucker, mean total mercury concentration in fish from the high sulfate treatment (276 +/- 63 ng/g) was significantly elevated over that observed in the control (109 +/- 47 ng/g), the low sulfate treatment (122 +/- 42 ng/g), and the reference population (41 +/- 2 ng/g). Mercury in periphyton was mostly inorganic as methylmercury ranged from 6.6 ng/g (dry weight) in the control to 9.8 ng/g in the high sulfate treatment, while total mercury concentrations ranged from 1147 ng/g in the control to a high of 1297 ng/g in the low sulfate treatment. Fish methylmercury bioaccumulation factors from sediment ranged from 52 to 390 and from 495 to 3059 for water. These results suggest that sulfate treatments add a factor of risk due to elevated production of methylmercury in sediment and porewater which biomagnified into small fish, and may potentially increase through the food web. (c) 2005 Elsevier Ltd. All rights reserved. C1 Univ S Carolina, Arnold Sch Publ Hlth, Dept Environm Hlth Sci, Columbia, SC 29208 USA. USA Corps Engineers, Savannah, GA 31402 USA. Westinghouse Savannah River Co, Aiken, SC 29808 USA. Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29808 USA. RP Newman, LA (reprint author), Univ S Carolina, Arnold Sch Publ Hlth, Dept Environm Hlth Sci, Columbia, SC 29208 USA. EM lnewman@sph.sc.edu NR 50 TC 6 Z9 7 U1 2 U2 13 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0045-6535 J9 CHEMOSPHERE JI Chemosphere PD APR PY 2005 VL 59 IS 2 BP 227 EP 233 DI 10.1016/j.chemosphere.2004.11.088 PG 7 WC Environmental Sciences SC Environmental Sciences & Ecology GA 908WZ UT WOS:000227822200009 PM 15722094 ER PT J AU Plaza, G Nalecz-Jawecki, G Ulfig, K Brigmon, RL AF Plaza, G Nalecz-Jawecki, G Ulfig, K Brigmon, RL TI The application of bioassays as indicators of petroleum-contaminated soil remediation SO CHEMOSPHERE LA English DT Article DE bioassays; biopiles; petroleum hydrocarbons; bioremediation ID TOXICITY TESTS; BIOREMEDIATION; PLANTS; WASTE; SITE AB Bioremediation has proven successful in numerous applications to petroleum contaminated soils. However, questions remain as to the efficiency of bioremediation in lowering long-term soil toxicity. In the present study, the bioassays Spirotox, Microtox (R), Ostracodtoxkit F (TM), umu-test with S-9 activation, and plant assays were applied, and compared to evaluate bioremediation processes in heavily petroleum contaminated soils. Six higher plant species (Secale cereale L., Lactuca sativa L., Zea mays L., Lepidium sativum L., Triticum vulgare L., Brassica oleracea L.) were used for bioassay tests based on seed germination and root elongation. The ecotoxicological analyses were made in DMSO/H2O and DCM/DMSO soil extracts. Soils were tested from two biopiles at the Czechowice oil refinery, Poland, that have been subjected to different bioremediation applications. In biopile 1 the active or engineered bioremediation process lasted four years, while biopile 2 was treated passively or non-engineered for eight months. The test species demonstrated varying sensitivity to soils from both biopiles. The effects on test organisms exposed to biopile 2 soils were several times higher compared to those in biopile 1 soils, which correlated with the soil contaminants concentration. Soil hydrocarbon concentrations indeed decreased an average of 81% in biopile 1, whereas in biopile 2 TPH/TPOC concentrations only decreased by 30% after eight months of bioremediation. The bioassays were presented to be sensitive indicators of soil quality and can be used to evaluate the quality of bioremediated soil. The study encourages the need to combine the bioassays with chemical monitoring for evaluation of the bioremediation effectiveness and assessing of the contaminated/remediated soils. (c) 2004 Elsevier Ltd. All rights reserved. C1 Inst Ecol Ind Areas, PL-40844 Katowice, Poland. Med Univ Warsaw, Dept Environm Hlth Sci, PL-02097 Warsaw, Poland. Westinghouse Savannah River Co, Savannah River Lab, Aiken, SC 29808 USA. RP Plaza, G (reprint author), Inst Ecol Ind Areas, Kossutha St 6, PL-40844 Katowice, Poland. EM pla@ietu.katowice.pl OI Nalecz-Jawecki, Grzegorz/0000-0003-4945-3687 NR 29 TC 85 Z9 99 U1 7 U2 38 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0045-6535 J9 CHEMOSPHERE JI Chemosphere PD APR PY 2005 VL 59 IS 2 BP 289 EP 296 DI 10.1016/j.chemosphere.2004.11.049 PG 8 WC Environmental Sciences SC Environmental Sciences & Ecology GA 908WZ UT WOS:000227822200016 PM 15722101 ER PT J AU Roden, EE Scheibe, TD AF Roden, EE Scheibe, TD TI Conceptual and numerical model of uranium(VI) reductive immobilization in fractured subsurface sediments SO CHEMOSPHERE LA English DT Article DE bioremediation; fractured; immobilization; iron; reduction; sediments; uranium ID DISSIMILATORY METAL REDUCTION; SURFACE COMPLEXATION MODEL; CRYSTALLINE FE(III) OXIDE; MASS-TRANSFER; CONTAMINATED AQUIFER; MICROBIAL REDUCTION; U(VI) REDUCTION; POROUS-MEDIA; BIOREMEDIATION; ADSORPTION AB A conceptual model and numerical simulations of bacterial U(VI) reduction in fractured subsurface sediments were developed to assess the potential feasibility of biomineralization at the fracture/matrix interface as a mechanism for immobilization of uranium in structured subsurface media. The model envisions flow of anaerobic groundwater, with or without acetate as an electron donor for stimulation of U(VI) reduction by dissimilatory metal-reducing bacteria (DMRB), within mobile macropores along a one-dimensional flow path. As the groundwater moves along the flow path, U(VI) trapped in the immobile mesopore and micropore domains (the sediment matrix) becomes desorbed and transferred to the mobile macropores (fractures) via a first-order exchange mechanism. By allowing bacterial U(VI) reduction to occur in the mesopore domain (assumed to account for 12% of total sediment pore volume) according to experimentally-determined kinetic parameters and an assumed DMRB abundance of 10(7) cells per cm(3) bulk sediment (equivalent to 4 mg of cells per dm(3) bulk sediment), the concentration of U(VI) in the macropore domain was reduced ca. 10-fold compared to that predicted in the absence of mesopore DMRB activity after a 6-month simulation period. The results suggest that input of soluble electron donors over a period of years could lead to a major redistribution of uranium in fractured subsurface sediments, converting potentially mobile sorbed U(VI) to an insoluble reduced phase (i.e. uraninite) in the mesopore domain that is expected to be permanently immobile under sustained anaerobic conditions. © 2004 Elsevier Ltd. All rights reserved. C1 Univ Alabama, Dept Biol Sci, Tuscaloosa, AL 35487 USA. Pacific NW Natl Lab, Richland, WA 99352 USA. RP Roden, EE (reprint author), Univ Alabama, Dept Biol Sci, Box 870206,A122 Bevill Bldg 7th Ave, Tuscaloosa, AL 35487 USA. EM eroden@bsc.as.ua.edu; tim.scheibe@pnl.gov RI Scheibe, Timothy/A-8788-2008 OI Scheibe, Timothy/0000-0002-8864-5772 NR 56 TC 29 Z9 30 U1 2 U2 9 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0045-6535 J9 CHEMOSPHERE JI Chemosphere PD APR PY 2005 VL 59 IS 5 BP 617 EP 628 DI 10.1016/j.chemosphere.2004.11.007 PG 12 WC Environmental Sciences SC Environmental Sciences & Ecology GA 923DX UT WOS:000228890400004 PM 15792659 ER PT J AU Uchida, T Ikeda, IY Takeya, S Kamata, Y Ohmura, R Nagao, J Zatsepina, OY Buffett, BA AF Uchida, T Ikeda, IY Takeya, S Kamata, Y Ohmura, R Nagao, J Zatsepina, OY Buffett, BA TI Kinetics and stability of CH4-CO2 mixed gas hydrates during formation and long-term storage SO CHEMPHYSCHEM LA English DT Article DE carbon dioxide; clathrates; hydrates; methane; Raman spectroscopy ID X-RAY-DIFFRACTION; AQUEOUS-ELECTROLYTE SOLUTIONS; CARBON-DIOXIDE; METHANE HYDRATE; STRUCTURAL TRANSITIONS; RAMAN-SPECTROSCOPY; SELF-PRESERVATION; PHASE-EQUILIBRIA; CO2 HYDRATE; CLATHRATE AB The formation of CH4-CO2 mixed gas hydrates was observed by measuring the change of vapor-phase composition using gas chromatography and Roman spectroscopy. Preferential consumption of carbon dioxide molecules was found during hydrate formation, which agreed well with thermodynamic calculations. Both Roman spectroscopic analysis and the thermodynamic calculation indicated that the kinetics of this mixed gas hydrate system was controlled by the competition of both molecules to be enclathrated into the hydrate cages. However, the methane molecules were preferentially crystallized in the early stages of hydrate formation when the initial methane concentration was much less than that of carbon dioxide. According to the Raman, spectra, pure methane hydrates first formed under this condition. This unique phenomenon suggested that methane molecules play important roles in the hydrate formation process. These mixed gas hydrates were stored at atmospheric pressure and 190 K for over two months to examine the stability of the encaged gases. During storage, CO2 was preferentially released. According to our thermodynamic analysis, this CO2 release was due to the instability of CO, in the hydrate structure under the storage conditions. C1 Hokkaido Univ, Dept Appl Phys, Grad Sch Engn, Kita Ku, Sapporo, Hokkaido 0608628, Japan. Natl Inst Adv Ind Sci & Technol, Energy Technol Res Inst, Toyohira Ku, Sapporo, Hokkaido 0628517, Japan. Natl Inst Adv Ind Sci & Technol, Res Inst Instrumentat Frontier, Tsukuba, Ibaraki 3058568, Japan. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. Univ Chicago, Dept Geophys Sci, Chicago, IL 60637 USA. RP Uchida, T (reprint author), Hokkaido Univ, Dept Appl Phys, Grad Sch Engn, Kita Ku, N13 W 8, Sapporo, Hokkaido 0608628, Japan. EM t-uchida@eng.hokudai.ac.jp RI Uchida, Tsutomu/E-3835-2012; Ohmura, Ryo/D-6035-2014 NR 46 TC 51 Z9 57 U1 1 U2 42 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1439-4235 J9 CHEMPHYSCHEM JI ChemPhysChem PD APR PY 2005 VL 6 IS 4 BP 646 EP 654 DI 10.1002/cphc.200400364 PG 9 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 919DF UT WOS:000228597800013 PM 15881580 ER PT J AU Macey, JR AF Macey, JR TI Plethodontid salamander mitochondrial genomics: A parsimony evaluation of character conflict and implications for historical biogeography SO CLADISTICS LA English DT Article ID CONFIDENCE-LIMITS; EVOLUTION; PHYLOGENIES; AMPHIBIA; CAUDATA AB A new parsimony analysis of 27 complete mitochondrial genomic sequences is conducted to investigate the phylogenetic relationships of plethodontid salamanders. This analysis focuses on the amount of character conflict between phylogenetic trees recovered from newly conducted parsimony searches and the Bayesian and maximum likelihood topology reported by Mueller et al. (2004; PNAS, 101, 13820-13825). Strong support for Hemidactylium as the sister taxon to all other plethodontids is recovered from parsimony analyses. Plotting area relationships on the most parsimonious phylogenetic tree suggests that eastern North America is the origin of the family Plethodontidae supporting the "Out of Appalachia" hypothesis. A new taxonomy that recognizes clades recovered from phylogenetic analyses is proposed. (c) The Willi Hennig Society 2005. C1 DOE Joint Genome Inst, Dept Evolut Genom, Walnut Creek, CA 94598 USA. Lawrence Berkeley Natl Lab, Walnut Creek, CA 94598 USA. Univ Calif Berkeley, Museum Vertebrate Zool, Berkeley, CA 94720 USA. RP Macey, JR (reprint author), DOE Joint Genome Inst, Dept Evolut Genom, 2800 Mitchell Dr, Walnut Creek, CA 94598 USA. EM jrmacey@lbl.gov NR 13 TC 32 Z9 32 U1 2 U2 10 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DG, OXON, ENGLAND SN 0748-3007 J9 CLADISTICS JI Cladistics PD APR PY 2005 VL 21 IS 2 BP 194 EP 202 DI 10.1111/j.1096-0031.2005.00054.x PG 9 WC Evolutionary Biology SC Evolutionary Biology GA 937EA UT WOS:000229906200005 ER PT J AU Margolis, SB AF Margolis, SB TI Fundamental two-phase-flow models of combustion in porous energetic materials SO COMBUSTION SCIENCE AND TECHNOLOGY LA English DT Article ID DIFFUSIONAL THERMAL-INSTABILITY; QUASI-STEADY DEFLAGRATIONS; GAS-PERMEABLE PROPELLANTS; CONDENSED SUBSTANCES; FLOW; STABILITY; TRANSITION AB Deflagrations in porous energetic materials are characterized by regions of two-phase flow where significant velocity and temperature differences between the gaseous and condensed phases act to modify the structure and propagation velocity of the combustion wave. In the present work, recent models that describe propagating deflagrations under varying degrees of confinement, as represented by the pressure difference ( or overpressure) between the burned and unburned regions, are reviewed. It is shown how the structure, propagation speed, and final temperature of the combustion wave depend on the porosity and local pressure in the two-phase regions, even in the unconfined limit corresponding to zero overpressures. For the more general confined problem, however, exhibiting the burning-rate response as a function of overpressure is shown to additionally predict the well-known transition from conductive to convective burning associated with the preheating of the unburned material by the burned gases. Inclusion of temperature-nonequilibrium effects serves to further sharpen this transition and ultimately suggests a modified structure for the combustion wave in the convection-dominated regime. C1 Sandia Natl Labs, Livermore, CA 94550 USA. RP Margolis, SB (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. EM margoli@sandia.gov NR 38 TC 4 Z9 4 U1 0 U2 5 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0010-2202 J9 COMBUST SCI TECHNOL JI Combust. Sci. Technol. PD APR-JUN PY 2005 VL 177 IS 5-6 BP 1183 EP 1229 DI 10.1080/00102200590927049 PG 47 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical SC Thermodynamics; Energy & Fuels; Engineering GA 930CW UT WOS:000229394400016 ER PT J AU Biskup, M Chayes, L Nussinov, Z AF Biskup, M Chayes, L Nussinov, Z TI Orbital ordering in transition-metal compounds: I. The 120-degree model SO COMMUNICATIONS IN MATHEMATICAL PHYSICS LA English DT Article ID TEMPERATURE PHASE-DIAGRAMS; QUANTUM SPIN SYSTEMS; X-RAY-SCATTERING; LATTICE SYSTEMS; REFLECTION POSITIVITY; CLASSICAL LIMIT; GENERAL THEORY; GROUND-STATES; REPRESENTATION; PERTURBATIONS AB We study the classical version of the 120degrees-model. This is an attractive nearest-neighbor system in three dimensions with XY (rotor) spins and interaction such that only a particular projection of the spins gets coupled in each coordinate direction. Although the Hamiltonian has only discrete symmetries, it turns out that every constant field is a ground state. Employing a combination of spin-wave and contour arguments we establish the existence of long-range order at low temperatures. This suggests a mechanism for a type of ordering in certain models of transition-metal compounds where the very existence of long-range order has heretofore been a matter of some controversy. C1 Univ Calif Los Angeles, Dept Math, Los Angeles, CA 90095 USA. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Biskup, M (reprint author), Univ Calif Los Angeles, Dept Math, Los Angeles, CA 90095 USA. RI Biskup, Marek/A-7204-2010 NR 50 TC 29 Z9 29 U1 0 U2 4 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013 USA SN 0010-3616 J9 COMMUN MATH PHYS JI Commun. Math. Phys. PD APR PY 2005 VL 255 IS 2 BP 253 EP 292 DI 10.1007/s00220-004-1272-7 PG 40 WC Physics, Mathematical SC Physics GA 903OK UT WOS:000227435200001 ER PT J AU Brown, WM Faulon, JL Sale, K AF Brown, WM Faulon, JL Sale, K TI A deterministic algorithm for constrained enumeration of transmembrane protein folds SO COMPUTATIONAL BIOLOGY AND CHEMISTRY LA English DT Article DE protein folds; helix packing; transmembrane helices; distance constraints ID DISTANCE CONSTRAINTS; MEMBRANE-PROTEINS; HELIX PACKING; PREDICTION AB A deterministic algorithm for enumeration of transmembrane protein folds is presented. Using a set of sparse pairwise atomic distance constraints (such as those obtained from chemical cross-linking, FRET, or dipolar EPR experiments), the algorithm performs an exhaustive search of secondary structure element packing conformations distributed throughout the entire conformational space. The end result is a set of distinct protein conformations, which can be scored and refined as part of a process designed for computational elucidation of transmembrane protein structures. Published by Elsevier Ltd. C1 Sandia Natl Labs, Albuquerque, NM 87123 USA. Sandia Natl Labs, Dept Biosyst Res, Livermore, CA 94551 USA. RP Brown, WM (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87123 USA. EM wmbrown@sandia.gov NR 14 TC 4 Z9 4 U1 0 U2 0 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1476-9271 J9 COMPUT BIOL CHEM JI Comput. Biol. Chem. PD APR PY 2005 VL 29 IS 2 BP 143 EP 150 DI 10.1016/j.compbiolchem.2005.03.001 PG 8 WC Biology; Computer Science, Interdisciplinary Applications SC Life Sciences & Biomedicine - Other Topics; Computer Science GA 921KU UT WOS:000228764000008 PM 15833442 ER PT J AU Liu, MB Liu, GR AF Liu, MB Liu, GR TI Meshfree particle simulation of micro channel flows with surface tension SO COMPUTATIONAL MECHANICS LA English DT Article DE micro channel flows; surface tension; flip-chip; underfill encapsulation; smoothed particle hydrodynamics; adaptive smoothed particle hydrodynamics; adaptive kernel ID HYDRODYNAMICS; ENCAPSULANT; EXPLOSION; SPH AB This paper presents a study of micro channel flows using a meshfree particle approach. The approach is based on smoothed particle hydrodynamics (SPH) and its variant, adaptive smoothed particle hydrodynamics (ASPH). The incompressible flow in the micro channels is modeled as an artificially compressible flow. The surface tension is incorporated into the equations of motion. The classic Poiseuille flow and a practical micro channel flow problem of flip-chip underfill encapsulation process are investigated. It is found that the adaptive kernel can well match the computational geometry with long channels and can greatly save computational time. The simulation results are in close agreement with the analytical solutions. C1 Natl Univ Singapore, Dept Mech Engn, Singapore 119260, Singapore. RP Liu, MB (reprint author), Idaho Natl Engn & Environm Lab, POB 1625,MS 2025, Idaho Falls, ID 83415 USA. EM Moubl@inel.gov RI Liu, GR/B-6845-2013 OI Liu, GR/0000-0001-8337-657X NR 20 TC 21 Z9 24 U1 2 U2 13 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013 USA SN 0178-7675 J9 COMPUT MECH JI Comput. Mech. PD APR PY 2005 VL 35 IS 5 BP 332 EP 341 DI 10.1007/s00466-004-0620-y PG 10 WC Mathematics, Interdisciplinary Applications; Mechanics SC Mathematics; Mechanics GA 907DU UT WOS:000227696300002 ER PT J AU Stoitsov, MV Dobaczewski, J Nazarewicz, W Ring, P AF Stoitsov, MV Dobaczewski, J Nazarewicz, W Ring, P TI Axially deformed solution of the Skyrme-Hartree-Fock-Bogolyubov equations using the transformed harmonic oscillator basis. The program HFBTHO (v1.66p) SO COMPUTER PHYSICS COMMUNICATIONS LA English DT Article DE Hartree-Fock; Hartree-Fock-Bogolyubov; nuclear many-body problem; Skyrme interaction; self-consistent mean-field; quadrupole deformation; constrained calculations; energy surface; pairing; particle number projection; nuclear radii; quasiparticle spectra; harmonic oscillator; Coulomb field ID LOCAL-SCALE TRANSFORMATION; MANY-PARTICLE SYSTEMS; BOGOLIUBOV EQUATIONS; DRIP-LINE; PAIRING CORRELATIONS; NUCLEAR-STRUCTURE; ROTATIONAL BANDS; GROUND-STATE; SYMMETRY; DEFORMATION AB We describe the program HFBTHO for axially deformed configurational Hartree-Fock-Bogolyubov calculations with Skyrme-forces and zero-range pairing interaction using Harmonic-Oscillator and/or Transformed Harmonic-Oscillator states. The particle-number symmetry is approximately restored using the Lipkin-Nogami prescription, followed by an exact particle number projection after the variation. The program can be used in a variety of applications, including systematic studies of wide ranges of nuclei, both spherical and axially deformed, extending all the way out to nucleon drip lines. C1 Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. Joint Inst Heavy Ion Res, Oak Ridge, TN 37831 USA. Bulgarian Acad Sci, Inst Nucl Res & Nucl Energy, Sofia, Bulgaria. Univ Warsaw, Inst Theoret Phys, PL-00681 Warsaw, Poland. Tech Univ Munich, Dept Phys, Garching, Germany. RP Stoitsov, MV (reprint author), Oak Ridge Natl Lab, Div Phys, POB 2008, Oak Ridge, TN 37831 USA. EM stoitsovmv@ornl.gov RI Ring, Peter/O-1638-2015 NR 46 TC 102 Z9 103 U1 0 U2 4 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 1 PY 2005 VL 167 IS 1 BP 43 EP 63 DI 10.1016/j.cpc.2005.01.001 PG 21 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 913KG UT WOS:000228149900005 ER PT J AU Gray, LJ Garzon, M AF Gray, LJ Garzon, M TI On a Hermite boundary integral approximation SO COMPUTERS & STRUCTURES LA English DT Article DE boundary integral method; Hermite approximation; Galerkin approximation; surface gradient ID INTERPOLATION; FORMULATION; CURVATURE; EQUATIONS; ELEMENTS; FRONTS; GROWTH AB A cubic Hermite approximation for two-dimensional boundary integral analysis is presented. The method differs from previous Hermite interpolation algorithms in that the gradient equations are sparse, significantly reducing the computational cost, and in that information about the surface normals is incorporated to effect a cubic interpolation of the geometry. A motivation for the development of this approximation is in the solution of moving boundary problems, as high accuracy and surface gradients are required for these simulations. Published by Elsevier Ltd. C1 Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. Univ Oviedo, Dept Appl Math, Oviedo, Spain. RP Gray, LJ (reprint author), Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. EM ljg@ornl.gov NR 18 TC 4 Z9 4 U1 1 U2 1 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0045-7949 J9 COMPUT STRUCT JI Comput. Struct. PD APR PY 2005 VL 83 IS 10-11 BP 889 EP 894 DI 10.1016/j.compstruc.2004.10.014 PG 6 WC Computer Science, Interdisciplinary Applications; Engineering, Civil SC Computer Science; Engineering GA 914NJ UT WOS:000228234200018 ER PT J AU Arjunan, V Lamb, J Chandra, D Daemen, J Jones, D Engelhard, M Lea, S AF Arjunan, V Lamb, J Chandra, D Daemen, J Jones, D Engelhard, M Lea, S TI Electrochemical corrosion behavior of low-carbon i-beam steels in a simulated Yucca Mountain repository environment SO CORROSION LA English DT Article DE corrosion product scale; corrosion rate; low-carbon steel; potentiodynamic polarization; simulated ground water; x-ray photoelectron spectroscopy; Yucca Mountain ID XPS; BICARBONATE; MG AB The electrochemical corrosion behavior of low-carbon steel (CS) was examined in a simulated Yucca Mountain (YM) groundwater by varying the electrolyte concentration and temperature under aerated and deaerated conditions. The results show that in deaerated conditions, the corrosion rate is low, in the order of 0.6 mpy to 4.5 mpy, between 25 degrees C to 85 degrees C, respectively, whereas for aerated conditions the measured rates increased to 3 mpy to 55 mpy. The rates initially increased with temperatures up to 45 degrees C. and a decreasing trend was observed with a further increase in temperature from 65 degrees C to 85'C. The maximum corrosion rate occurred at 45 degrees C (54.5 mpy). The low corrosion rates observed in all deaerated conditions and in aerated Solutions at higher temperatures were due to the formation of Mg species on the steel surface. as identified by x-ray photoelectron spectroscopy analyses. The results also indicate possible localized corrosion behavior of CS in aerated conditions up to 45 degrees C. C1 Univ Nevada, Coll Engn, Met Mat Engn Div, Reno, NV 89557 USA. Pacific NW Natl Lab, Interfacial & Nanoscale Sci Facil, Environm Mol Sci Lab, Richland, WA 99352 USA. RP Chandra, D (reprint author), Univ Nevada, Coll Engn, Met Mat Engn Div, Mail Stop 388, Reno, NV 89557 USA. EM dchandra@unr.edu RI Engelhard, Mark/F-1317-2010; OI Lea, Alan/0000-0002-4232-1553; Engelhard, Mark/0000-0002-5543-0812 NR 17 TC 1 Z9 1 U1 0 U2 1 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 2005 VL 61 IS 4 BP 381 EP 391 PG 11 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 914NW UT WOS:000228235600010 ER PT J AU Schrott, GR With, KA King, AW AF Schrott, GR With, KA King, AW TI On the importance of landscape history for assessing extinction risk SO ECOLOGICAL APPLICATIONS LA English DT Article DE conservation; disturbance; dynamic landscapes; extinction thresholds; habitat fragmentation; habitat loss; landscape history; migratory songbirds; spatially explicit population models ID POPULATION VIABILITY ANALYSIS; HABITAT FRAGMENTATION; BREEDING BIRDS; MATHEMATICAL DEMOGRAPHY; FOREST FRAGMENTATION; DYNAMIC LANDSCAPES; AREA REQUIREMENTS; NESTING SUCCESS; THRESHOLDS; DENSITY AB Assessment of extinction risk may depend not only upon the current state of the landscape and its projected trajectory of change, but also on its past disturbance history. We employed a spatially structured demographic model to evaluate extinction risk for several generic migratory songbirds within landscapes subjected to ongoing habitat loss and fragmentation. We generated different scenarios of dynamic landscape change using neutral landscape models, in which breeding habitat was systematically destroyed at various rates (0.5%, 1%, or 5% per year) and degrees of fragmentation, thus enabling us to determine the relative contribution of these factors to population declines. Extinction risk was assessed relative to the vulnerability threshold, the point where the change in population growth rate (Delta lambda) scaled to the rate of habitat loss (Ali) falls below -1% (Delta lambda/Delta h = -0.01). Our model predicts that songbirds are likely to exhibit lagged responses to habitat loss in landscapes undergoing rapid change (5% per year). In such scenarios, the landscape changed more rapidly than the demographic response time of the population, such that population growth rates never exceeded the vulnerability threshold, even though these species inevitably went extinct. Thus, songbirds in landscapes undergoing rapid change might not be assessed as "at risk" until the population's demographic potential has been seriously eroded, which would obviously compromise the success of management actions aimed at recovering the population. Furthermore, our model illustrates how assessment of a species' extinction risk may vary widely among landscapes of similar structure, depending upon how quickly the landscape achieved its current state. Thus, information on the current landscape state (e.g., amount of habitat or degree of fragmentation) may not be sufficient for assessing long-term population viability and extinction risk in the absence of information on the history of landscape disturbance. C1 Kansas State Univ, Div Biol, Manhattan, KS 66506 USA. Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP With, KA (reprint author), Kansas State Univ, Div Biol, Manhattan, KS 66506 USA. EM kwith@ksu.edu RI With, Kimberly/J-5124-2014 OI With, Kimberly/0000-0001-5570-1515 NR 59 TC 41 Z9 45 U1 3 U2 16 PU ECOLOGICAL SOC AMER PI WASHINGTON PA 1990 M STREET NW, STE 700, WASHINGTON, DC 20036 USA SN 1051-0761 J9 ECOL APPL JI Ecol. Appl. PD APR PY 2005 VL 15 IS 2 BP 493 EP 506 DI 10.1890/04-0416 PG 14 WC Ecology; Environmental Sciences SC Environmental Sciences & Ecology GA 912ED UT WOS:000228059000008 ER PT J AU Horgan, FG Fuentes, RC AF Horgan, FG Fuentes, RC TI Asymmetrical competition between Neotropical dung beetles and its consequences for assemblage structure SO ECOLOGICAL ENTOMOLOGY LA English DT Article DE Central America; Dichotomius; dung beetle assemblages; rank order; Scarabaeinae ID CHARACTER DISPLACEMENT; COMMUNITY ECOLOGY; SPECIES-DIVERSITY; SCARABAEIDAE; FOREST; COLEOPTERA; MECHANISMS; BURIAL; BOVINE; GUILD AB 1. This study combines the results of laboratory experiments using representative assemblage components and pitfall trapping over a large geographical area to examine the hypothesis that ongoing interspecific competition structures Neotropical dung beetle assemblages. 2. From Guatemala to Panama assemblages of large to medium-sized, fast-tunnelling dung beetles include a single large, nocturnal dichotomiine species, Dichotomius annae (Kohlmann & Solis, 1997). In competition experiments, this species out-competed the medium-sized coprine species, Copris lugubris Boheman and Phanaeus demon Laporte-Castelnau, for dung and nesting space, in spite of earlier colonisation by the diurnal species, P. demon. 3. Differences in the abundance of D. annae at Central American sites did not affect total fast-tunnelling dung beetle assemblage richness over the rainy season. However, D. annae rank order was directly related to the probability of interspecific encounters (Hurlbert's Delta(1)) among species. These trends were also observed when species lists from published and unpublished studies of other large allopatric dichotomiine species, with a more northerly distribution, were included in the analyses. 4. The results obtained suggest that where large dichotomiine species are abundant, their efficient pre-emption of a considerable proportion of available resources drives all, or most, other fast-tunnelling species to a lower population density, thereby decreasing assemblage diversity. C1 Univ New Brunswick, Dept Biol, Populat Ecol Grp, Fredericton, NB E3B 6E1, Canada. Univ El Salvador, Escuela Biol, San Salvador, El Salvador. RP Horgan, FG (reprint author), TEAGASC, Oak Pk Res Ctr, Carlow, Ireland. EM fhorgan@oakpark.teagasc.ie NR 52 TC 13 Z9 16 U1 1 U2 12 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0307-6946 EI 1365-2311 J9 ECOL ENTOMOL JI Ecol. Entomol. PD APR PY 2005 VL 30 IS 2 BP 182 EP 193 DI 10.1111/j.0307-6946.2005.00673.x PG 12 WC Entomology SC Entomology GA 914DJ UT WOS:000228204900008 ER PT J AU Railsback, SF Harvey, BC Hayse, JW LaGory, KE AF Railsback, SF Harvey, BC Hayse, JW LaGory, KE TI Tests of theory for diel variation in salmonid feeding activity and habitat use SO ECOLOGY LA English DT Article DE diel activity; diurnal; foraging; habitat selection; individual-based model; nocturnal; salmonid; theory ID JUVENILE ATLANTIC-SALMON; GRAYLING THYMALLUS-ARCTICUS; BROWN TROUT; CUTTHROAT TROUT; RAINBOW-TROUT; DIURNAL ACTIVITY; MICROHABITAT USE; LIGHT-INTENSITY; BROOK TROUT; WINTER AB For many animals, selecting whether to fora e during day or night is a critical fitness problem: at night, predation risks are lower but feeding is less efficient. Habitat selection is a closely related problem: the best location for nocturnal foraging could be too risky during daytime, and habitat that is safe and profitable in daytime may be unprofitable at night. We pose a theory that assumes animals select the combination of daytime and night activity (feeding vs. hiding), and habitat, that maximizes expected future fitness. Expected fitness is approximated as the predicted probability of surviving starvation and predation over a future time horizon, multiplied by a function representing the fitness benefits of growth. The theory ' s usefulness and generality were tested using pattern-oriented analysis of an individual-based model (IBM) of stream salmonoids and the extensive literature on observed diel behavior patterns of these animals. Simulation experiments showed that the IBM reproduces eight diverse patterns observed in real populations. (1) Diet activity (whether foraging occurs during day and/or night) varies among a population ' s individuals, and from day to day for each individual. (2) Salmonids feed in shallower and slower water at night. (3) Individuals pack more tightly into the best habitat when feeding at night. (4) Salmonids feed relatively more at night if temperatures (and, therefore, metabolic demands) are low. (5) Daytime feeding is more common for life stages in which potential fitness increases more rapidly with growth. (6) Competition for feeding or hiding sites can shift foraging between day and night. (7) Daytime feeding is more common when food availability is low. (8) Diet activity patterns are affected by the availability of good habitat for feeding or hiding, We can explain many patterns of variation in diel foraging behavior without assuming that populations or individuals vary in how inherently nocturnal or diurnal they are. Instead, these patterns can emerge from the search by individuals for good trade-offs between growth and survival under different habitat and competitive conditions. C1 Lang Railsback & Associates, Arcata, CA 95521 USA. US Forest Serv, Redwood Sci Lab, Pacific SW Res Stn, USDA, Arcata, CA 95521 USA. Argonne Natl Lab, Environm Assessment Div, Argonne, IL 60439 USA. RP Railsback, SF (reprint author), Lang Railsback & Associates, 250 Calif Ave, Arcata, CA 95521 USA. EM LRA@northcoast.com OI Railsback, Steven/0000-0002-5923-9847 NR 54 TC 49 Z9 50 U1 3 U2 34 PU ECOLOGICAL SOC AMER PI WASHINGTON PA 1707 H ST NW, STE 400, WASHINGTON, DC 20006-3915 USA SN 0012-9658 J9 ECOLOGY JI Ecology PD APR PY 2005 VL 86 IS 4 BP 947 EP 959 DI 10.1890/04-1178 PG 13 WC Ecology SC Environmental Sciences & Ecology GA 914YF UT WOS:000228263300014 ER PT J AU Liu, GD Lin, YH AF Liu, GD Lin, YH TI Electrochemical stripping analysis of organophosphate pesticides and nerve agents SO ELECTROCHEMISTRY COMMUNICATIONS LA English DT Article DE organophosphate compounds; nerve agents; pesticides; carbon paste; adsorptive stripping voltammetry ID AMPEROMETRIC DETECTION; BIOSENSOR; HYDROLASE; ELECTRODE AB A sensitive electrochemical stripping voltammetric method for analyzing organophosphate (OP) compounds was developed using a carbon paste electrochemical (CPE) transducer. ON strongly adsorb on a CPE surface and provide facile electrochemical quantitative methods for electroactive OP compounds. Operational parameters have been optimized, and the stripping voltammetric performance has been studied using square wave voltammetry. The adsorptive stripping voltammetric response is highly linear over the 1-60 mu M methyl parathion range examined (2-min adsorption), with a detection limit of 0.05 mu mol/L (10-min adsorption) and good precision (RSD = 3.2%, n = 10). These findings can lead to a widespread use of electrochemical sensors to detect OP contaminates. (c) 2005 Elsevier B.V.. All rights reserved. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Lin, YH (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99352 USA. EM yuehe.lin@pnl.gov RI Lin, Yuehe/D-9762-2011 OI Lin, Yuehe/0000-0003-3791-7587 NR 18 TC 97 Z9 98 U1 1 U2 18 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 1388-2481 J9 ELECTROCHEM COMMUN JI Electrochem. Commun. PD APR PY 2005 VL 7 IS 4 BP 339 EP 343 DI 10.1016/j.elecom.2005.02.002 PG 5 WC Electrochemistry SC Electrochemistry GA 911UB UT WOS:000228029700004 ER PT J AU Simpson, DC Smith, RD AF Simpson, DC Smith, RD TI Combining capillary electrophoresis with mass spectrometry for applications in proteomics SO ELECTROPHORESIS LA English DT Review DE capillary electrophoresis; capillary isoelectric focusing; capillary zone electrophoresis; mass spectrometry; proteomics; review ID ION-CYCLOTRON RESONANCE; FUSED-SILICA CAPILLARIES; ELECTROSPRAY-IONIZATION INTERFACE; PERFORMANCE LIQUID-CHROMATOGRAPHY; VACUUM DEPOSITION INTERFACE; PROTEIN IDENTIFICATION TECHNOLOGY; IMMOBILIZED PH GRADIENTS; ATOMIC-FORCE MICROSCOPY; ZONE-ELECTROPHORESIS; HIGH-EFFICIENCY AB Mass spectrometry (MS)-based proteomics is currently dominated by the analysis of peptides originating either from digestion of proteins separated by two-dimensional gel electrophoresis (2-DE) or from global digestion; the simple peptide mixtures obtained from digestion of gel-separated proteins do not usually require further separation, while the complex peptide mixtures obtained by global digestion are most frequently separated by chromatographic techniques. Capillary electrophoresis (CE) provides alternatives to 2-DE for protein separation and alternatives to chromatography for peptide separation. This review attempts to elucidate how the most promising CE modes, capillary zone electrophoresis (CZE) and capillary isoelectric focusing (CIEF), might best be applied to MS-based proteomics. CE-MS interfacing, mass analyzer performance, column coating to minimize analyte adsorption, and sample stacking for CZE are considered prior to examining numerous applications. Finally, multidimensional systems that incorporate CE techniques are examined; CZE often finds use as a fast, final dimension before ionization for MS, while CIEF, being an equilibrium technique, is well-suited to being the first dimension in automated fractionation systems. C1 Pacific NW Natl Lab, Richland, WA USA. RP Smith, RD (reprint author), Pacific NW Natl Lab, Richland, WA USA. EM rds@pnl.gov RI Simpson, David/D-4677-2009; Smith, Richard/J-3664-2012 OI Simpson, David/0000-0002-1189-0833; Smith, Richard/0000-0002-2381-2349 NR 163 TC 130 Z9 137 U1 2 U2 60 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 0173-0835 J9 ELECTROPHORESIS JI Electrophoresis PD APR PY 2005 VL 26 IS 7-8 BP 1291 EP 1305 DI 10.1002/elps.200410132 PG 15 WC Biochemical Research Methods; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA 921SC UT WOS:000228784000005 PM 15765477 ER PT J AU Kossecka, E Kosny, J AF Kossecka, E Kosny, J TI Three-dimensional conduction z-transfer function coefficients determined from the response factors SO ENERGY AND BUILDINGS LA English DT Article DE heat transfer; thermal response; 7-transfer function; simulation; building envelope ID WALL SPECIMENS AB A method of derivation of the conduction z-transfer function coefficients from response factors, for three-dimensional wall assemblies, is described. Results of the conduction 7-transfer function coefficients calculations are presented for clear walls and separated details which are listed in ASHRAE research project 1145-TRP: "Modeling Two- and Three-Dimensional Heat Transfer Through Composite Wall and Roof Assemblies in Hourly Energy Simulation Programs". Resistances, three-dimensional response factors and so-called structure factors. have been computed using the finite-difference computer code HEATING 7.2. The z-transfer function coefficients were then derived from a set of linear equations. constituting relationships with the response factors, which were solved using the minimum-error procedure. Test simulations show perfect compatibility of the heat flux calculated using three-dimensional response factors and three-dimensional z-transfer function coefficients, derived from the response factors. (C) 2004 Elsevier B.V. All rights reserved. C1 Polish Acad Sci, Dept Ecobldg Engn, PL-00049 Warsaw, Poland. Oak Ridge Natl Lab, Bldg & Mat Grp, Oak Ridge, TN 37831 USA. RP Kossecka, E (reprint author), Polish Acad Sci, Dept Ecobldg Engn, Swietokrzyska 21, PL-00049 Warsaw, Poland. EM ekossec@ippt.gov.pl; kyo@ornl.gov RI KOSSECKA, ELISABETH/A-3658-2008 NR 21 TC 10 Z9 11 U1 0 U2 3 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0378-7788 J9 ENERG BUILDINGS JI Energy Build. PD APR PY 2005 VL 37 IS 4 BP 301 EP 310 DI 10.1016/j.enbuild.2004.06.026 PG 10 WC Construction & Building Technology; Energy & Fuels; Engineering, Civil SC Construction & Building Technology; Energy & Fuels; Engineering GA 890IF UT WOS:000226504200002 ER PT J AU Akbari, H Konopacki, S AF Akbari, H Konopacki, S TI Calculating energy-saving potentials of heat-island reduction strategies SO ENERGY POLICY LA English DT Article DE heat-islands mitigation measures; cooling- and heating-energy savings; building energy simulation AB We have developed summary tables (sorted by heating- and cooling-degree-days) to estimate the potential of heat-island reduction (HIR) strategies (i.e., solar-reflective roofs, shade trees, reflective pavements, and urban vegetation) to reduce cooling-energy use in buildings. The tables provide estimates of savings for both direct effect (reducing heat gain through the building shell) and indirect effect (reducing the ambient air temperature). In this analysis, we considered three building types that offer the most savings potential: residences, offices, and retail stores. Each building type was characterized in detail by Pre-1980 (old) or 1980(+) (new) construction vintage and with natural gas or electricity as heating fuel. We defined prototypical-building characteristics for each building type and simulated the effects of HIR strategies on building cooling- and heating-energy use and peak power demand using the DOE-2.1E model and weather data for about 240 locations in the US. A statistical analysis of previously completed simulations for five cities was used to estimate the indirect savings. Our simulations included the effect of (1) solar-reflective roofing material on building (direct effect), (2) placement of deciduous shade trees near south and west walls of building (direct effect), and (3) ambient cooling achieved by urban reforestation and reflective building surfaces and pavements (indirect effect). Upon completion of estimating the direct and indirect energy savings for all the locations, we integrated the results in tables arranged by heating- and cooling-degree-days. We considered 15 bins for heating-degree-days, and 12 bins for cooling-degree-days. Energy use and savings are presented per 1000ft(2) of roof area. In residences heated with gas and in climates with greater than 1000 cooling-degree-days, the annual electricity savings in Pre-1980 stock ranged from 650 to 1300kWh/1000ft(2), for 1980(+) stock savings ranged 300-600kWh/1000ft(2). For residences heated with electricity, the savings ranged from 350 to 1300kWh/1000ft(2) for Pre-1980 stock and 190-600kWh/1000ft(2) for 1980(+) stocks. In climates with less than 1000 cooling-degree-days, the electricity savings were not significantly higher than winter heating penalties. For gas-heated office buildings, simulations indicated electricity savings in the range of 1100-1500kWh/1000ft(2) and 360-700kWh/1000ft(2). for Pre-1980 and 1980(+) stocks, respectively. For electrically heated office buildings, simulations indicated electricity savings in the range of 700-1400kWh/1000ft(2) and 100-700kWh/1000ft(2), for Pre-1980 and 1980(+) stocks, respectively. Similarly, for gas-heated retail store buildings, simulations indicated electricity savings in the range of 1300-1700kWh/1000ft(2) and 370-750kWh/1000ft(2), for Pre-1980 and 1980(+) stocks, respectively. For electrically heated retail store buildings, simulations indicated electricity savings in the range of 1200-1700kWh/1000ft(2) and 250-750kWh/1000ft(2), for Pre-1980 and 1980(+) stocks, respectively. Published by Elsevier Ltd. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Heat Isl Grp Environm Energy Technol Div, Berkeley, CA 94720 USA. RP Akbari, H (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Heat Isl Grp Environm Energy Technol Div, MS 90-2000, Berkeley, CA 94720 USA. EM H.Akbari@Bl.gov NR 18 TC 94 Z9 101 U1 9 U2 32 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0301-4215 J9 ENERG POLICY JI Energy Policy PD APR PY 2005 VL 33 IS 6 BP 721 EP 756 DI 10.1016/j.enpol.2003.10.001 PG 36 WC Energy & Fuels; Environmental Sciences; Environmental Studies SC Energy & Fuels; Environmental Sciences & Ecology GA 893WY UT WOS:000226752800001 ER PT J AU Greene, DL Patterson, PD Singh, M Li, J AF Greene, DL Patterson, PD Singh, M Li, J TI Feebates, rebates and gas-guzzler taxes: a study of incentives for increased fuel economy SO ENERGY POLICY LA English DT Article DE feebates; fuel economy; automobile policy ID EQUILIBRIUM AB US fuel economy standards have not been changed significantly in 20 years. Feebates are a market-based alternative in which vehicles with fuel consumption rates above a "pivot point" are charged fees while vehicles below receive rebates. By choice of pivot points, feebate systems can be made revenue neutral. Feebates have been analyzed before. This study re-examines feebates using recent data, assesses how the undervaluing of fuel economy by consumers might affect their efficacy, tests sensitivity to the cost of fuel economy technology and price elasticities of vehicle demand, and adds assessments of gas-guzzler taxes or rebates alone. A feebate rate of $500 per 0.01 gallon per mile (GPM) produces a 16 percent increase in fuel economy, while a $1000 per 0.01 GPM results in a 29 percent increase, even if consumers count only the first 3 years of fuel savings. Unit sales decline by about 0.5 percent but sales revenues increase because the added value of fuel economy technologies outweighs the decrease in sales. In all cases, the vast majority of fuel economy increase is due to adoption of fuel economy technologies rather than shifts in sales. (C) 2003 Elsevier Ltd. All rights reserved. C1 Oak Ridge Natl Lab, Natl Transportat Res Ctr, Knoxville, TN 37932 USA. US DOE, Off Planning Budget Formulation & Anal, Washington, DC 20585 USA. Argonne Natl Lab, Washington, DC 20024 USA. Univ Tennessee, Natl Transportat Res Ctr, Knoxville, TN 37932 USA. RP Greene, DL (reprint author), Oak Ridge Natl Lab, Natl Transportat Res Ctr, 2360 Cherahala Blvd, Knoxville, TN 37932 USA. EM dlgreene@ornl.gov; philip.patterson@ee.doe.gov; singhm@anl.gov; lijl@ornl.gov NR 30 TC 84 Z9 84 U1 0 U2 2 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0301-4215 J9 ENERG POLICY JI Energy Policy PD APR PY 2005 VL 33 IS 6 BP 757 EP 775 DI 10.1016/j.enpol.2003.10.003 PG 19 WC Energy & Fuels; Environmental Sciences; Environmental Studies SC Energy & Fuels; Environmental Sciences & Ecology GA 893WY UT WOS:000226752800002 ER PT J AU Hamilton, JG Dermody, O Aldea, M Zangerl, AR Rogers, A Berenbaum, MR DeLucia, EH AF Hamilton, JG Dermody, O Aldea, M Zangerl, AR Rogers, A Berenbaum, MR DeLucia, EH TI Anthropogenic changes in tropospheric composition increase susceptibility of soybean to insect herbivory SO ENVIRONMENTAL ENTOMOLOGY LA English DT Article DE elevated CO2; elevated ozone; Japanese beetle; free air gas concentration enrichment; Popillia japonica ID ELEVATED ATMOSPHERIC CO2; BEETLE EPILACHNA-VARIVESTIS; CARBON-DIOXIDE ENRICHMENT; GLYCINE-MAX; FOREST; OZONE; GROWTH; PLANTS; METAANALYSIS; YIELD AB Increased concentrations of CO2 and ozone are predicted to lower nutritional quality of leaves for insect herbivores, which may increase herbivory as insects eat more to meet their nutritional demands. To test this prediction, we measured levels of herbivory in soybean grown in ambient air and air enriched with CO2 or O-3 using free air gas concentration enrichment (FACE). Under open-air conditions and exposure to the full insect community, elevated [CO2] increased the susceptibility of soybeans to herbivory early in the season, whereas exposure to elevated [O-3] seemed to have no effect. In the region of the canopy exposed to high levels of herbivory, the percentage of leaf area removed increased from 5 to > 11% at elevated [CO2]. We found no evidence for compensatory feeding at elevated [CO,] where leaf nitrogen content and C:N ratio were unaltered in plants experiencing increased herbivory. However, levels of leaf sugars were increased by 31% at elevated [ CO,] and coincided with a significant increase in the density of the invasive species Popillia japonica Newman (Japanese beetle). In two-choice feeding trials, Japanese beetles and Mexican bean beetles (Epilachna varivestis Mulsant.) preferred foliage grown at elevated [CO2] to foliage grown at ambient [CO2] These data support the hypothesis that the increased level of sugar in leaves grown at elevated [CO2] may act as a phagostimulant for the Japanese beetle. If these results apply more widely to soybean production, the expectation of agricultural yield increases as a result of increasing elevated [CO,] may need to be reevaluated. C1 Ithaca Coll, Dept Biol, Ithaca, NY 14850 USA. Univ Illinois, Dept Plant Biol, Urbana, IL 61801 USA. Univ Illinois, Dept Entomol, Urbana, IL 61801 USA. Univ Illinois, Dept Crop Sci, Urbana, IL 61801 USA. Brookhaven Natl Lab, Dept Environm Sci, Upton, NY 11973 USA. RP Hamilton, JG (reprint author), Ithaca Coll, Dept Biol, Ithaca, NY 14850 USA. EM jhamilton@ithaca.edu RI Rogers, Alistair/E-1177-2011 OI Rogers, Alistair/0000-0001-9262-7430 NR 41 TC 51 Z9 56 U1 0 U2 18 PU ENTOMOL SOC AMER PI LANHAM PA 9301 ANNAPOLIS RD, LANHAM, MD 20706 USA SN 0046-225X J9 ENVIRON ENTOMOL JI Environ. Entomol. PD APR PY 2005 VL 34 IS 2 BP 479 EP 485 PG 7 WC Entomology SC Entomology GA 914XS UT WOS:000228262000028 ER PT J AU De Wekker, SFJ Steyn, DG Fast, JD Rotach, MW Zhong, S AF De Wekker, SFJ Steyn, DG Fast, JD Rotach, MW Zhong, S TI The performance of RAMS in representing the convective boundary layer structure in a very steep valley SO ENVIRONMENTAL FLUID MECHANICS LA English DT Article DE convective boundary layer structure; model evaluation; RAMS; thermally driven flow; valley meteorology ID ALPINE VALLEY; SOIL-MOISTURE; BUDGET; TOPOGRAPHY; MOUNTAIN; MODELS; SYSTEM; WIND AB Data from a comprehensive field study in the Riviera Valley of Southern Switzerland are used to investigate convective boundary layer structure in a steep valley and to evaluate wind and temperature fields, convective boundary layer height, and surface sensible heat fluxes as predicted by the mesoscale model RAMS. Current parameterizations of surface and boundary layer processes in RAMS, as well as in other mesoscale models, are based on scaling laws strictly valid only for flat topography and uniform land cover. Model evaluation is required to investigate whether this limits the applicability of RAMS in steep, inhomogeneous terrain. One clear-sky day with light synoptic winds is selected from the field study. Observed temperature structure across and along the valley is nearly homogeneous while wind structure is complex with a wind speed maximum on one side of the valley. Upvalley flows are not purely thermally driven and mechanical effects near the valley entrance also affect the wind structure. RAMS captured many of the observed boundary layer characteristics within the steep valley. The wind field, temperature structure, and convective boundary layer height in the valley are qualitatively simulated by RAMS, but the horizontal temperature structure across and along the valley is less homogeneous in the model than in the observations. The model reproduced the observed net radiation, except around sunset and sunrise when RAMS does not take into account the shadows cast by the surrounding topography. The observed sensible heat fluxes fall within the range of simulated values at grid points surrounding the measurement sites. Some of the scatter between observed and simulated turbulent sensible heat fluxes are due to sub-grid scale effects related to local topography. C1 Univ British Columbia, Vancouver, BC V5Z 1M9, Canada. Paul Scherrer Inst, Villigen, Switzerland. Pacific NW Natl Lab, Richland, WA USA. MeteoSwiss, Swiss Fed Off Meteorol & Climatol, Zurich, Switzerland. Univ Houston, Dept Geosci, Houston, TX 77004 USA. RP De Wekker, SFJ (reprint author), Univ British Columbia, Vancouver, BC V5Z 1M9, Canada. EM stephan.dewekker@pnl.gov NR 37 TC 23 Z9 23 U1 0 U2 5 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1567-7419 J9 ENVIRON FLUID MECH JI Environ. Fluid Mech. PD APR PY 2005 VL 5 IS 1-2 BP 35 EP 62 PG 28 WC Environmental Sciences; Mechanics; Meteorology & Atmospheric Sciences; Oceanography; Water Resources SC Environmental Sciences & Ecology; Mechanics; Meteorology & Atmospheric Sciences; Oceanography; Water Resources GA 937QD UT WOS:000229939700002 ER PT J AU Fredrickson, JK AF Fredrickson, JK TI Between a rock and a hard place: geomicrobial electron transfer SO ENVIRONMENTAL MICROBIOLOGY LA English DT Editorial Material C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Fredrickson, JK (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. NR 1 TC 0 Z9 0 U1 0 U2 1 PU BLACKWELL PUBLISHING LTD PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DG, OXON, ENGLAND SN 1462-2912 J9 ENVIRON MICROBIOL JI Environ. Microbiol. PD APR PY 2005 VL 7 IS 4 BP 475 EP 476 DI 10.1111/j.1462-2920.2005.803_4.x PG 2 WC Microbiology SC Microbiology GA 905TI UT WOS:000227592500006 PM 15816916 ER PT J AU Hopkins, WA Staub, BP Baionno, JA Jackson, BP Talent, LG AF Hopkins, WA Staub, BP Baionno, JA Jackson, BP Talent, LG TI Transfer of selenium from prey to predators in a simulated terrestrial food chain SO ENVIRONMENTAL POLLUTION LA English DT Article DE selenium; reptiles; lizards; trophic transfer; food web ID LIZARD SCELOPORUS-OCCIDENTALIS; SNAKES NERODIA-FASCIATA; LOCOMOTOR PERFORMANCE; POPULATIONS; BEHAVIOR; WATER; REPRODUCTION; MALLARDS; EXPOSURE; GROWTH AB Little is known about the accumulation and effects of selenium in reptiles. We developed a simplified laboratory food chain where we fed commercial feed laden with seleno-D,L-methionine (30 mug/g dry mass) to crickets (Acheta domestica) for 5-7 d. Se-enriched crickets (similar to 15 mug/g Se [dry mass]) were fed to juvenile male and female lizards (Sceloporus occidentalis) for 98 d while conspecifics were fed uncontaminated crickets. Lizards fed contaminated prey accumulated Se concentrations ranging from 9.3 (in female carcass) to 14.1 (in female gonad) mug/g compared to < 1.5 mug/g in tissues of controls. Female gonad concentrations approached the highest of thresholds for reproductive toxicity in oviparous vertebrates. However, we observed no consistent effect of dietary treatment on sublethal parameters or survival. Our simplified food chain proved to be an ecologically relevant method of exposing lizards to Se, and forms the foundation for future Studies on maternal transfer and teratogenicity of Se. (C) 2004 Elsevier Ltd. All rights reserved. C1 Univ Georgia, Savannah River Ecol Lab, Wildlife Ecotoxicol & Physiol Ecol Program, Aiken, SC 29801 USA. Oklahoma State Univ, Dept Zool, Stillwater, OK 74078 USA. RP Hopkins, WA (reprint author), Univ Georgia, Savannah River Ecol Lab, Wildlife Ecotoxicol & Physiol Ecol Program, Drawer E, Aiken, SC 29801 USA. EM hopkins@srel.edu RI Schneider, Larissa/C-9863-2012 NR 42 TC 32 Z9 32 U1 2 U2 13 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0269-7491 J9 ENVIRON POLLUT JI Environ. Pollut. PD APR PY 2005 VL 134 IS 3 BP 447 EP 456 DI 10.1016/j.envpol.2004.09.010 PG 10 WC Environmental Sciences SC Environmental Sciences & Ecology GA 893JR UT WOS:000226715600009 PM 15620590 ER PT J AU Fenner, K Scheringer, M MacLeod, M Matthies, M McKone, T Stroebe, M Beyer, A Bonnell, M Le Gall, AC Klasmeier, J Mackay, D Van De Meent, D Pennington, D Scharenberg, B Suzuki, N Wania, F AF Fenner, K Scheringer, M MacLeod, M Matthies, M McKone, T Stroebe, M Beyer, A Bonnell, M Le Gall, AC Klasmeier, J Mackay, D Van De Meent, D Pennington, D Scharenberg, B Suzuki, N Wania, F TI Comparing estimates of persistence and long-range transport potential among multimedia models SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID ORGANIC-CHEMICALS; FATE MODEL; POLLUTANTS AB Overall persistence (P-ov) and long-range transport potential (LRTP) of organic chemicals are environmental hazard metrics calculated with multimedia fate and transport models. Since there are several models of this type, it is important to know whether and how different model designs (model geometry, selection of compartments and processes, process descriptions) affect the results for P., and LRTP. Using a set of 3175 hypothetical chemicals covering a broad range of partition coefficients and degradation half-lives, we systematically analyze the P-ov and LRTP results obtained with nine multimedia models. We have developed several methods that make it possible to visualize the model results efficiently and to relate differences in model results to mechanistic differences between models. Rankings of the hypothetical chemicals according to P-ov and LRTP are highly correlated among models and are largely determined by the chemical properties. Domains of chemical properties in which model differences lead to different results are identified, and guidance on model selection is provided for model users. C1 Swiss Fed Inst Technol, CH-8093 Zurich, Switzerland. Swiss Fed Inst Environm Sci & Technol, EAWAG, CH-8600 Dubendorf, Switzerland. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Univ Osnabruck, Inst Environm Syst Res, D-49069 Osnabruck, Germany. Theoret Syst Biol, Inst Mol Biotechnol, D-07745 Jena, Germany. Environm Canada, New Chem Evaluat Div, Ottawa, ON K1A 0H3, Canada. INERIS, Chron Risk Div, Modelling & Econ Anal, F-60550 Verneuil en Halatte, France. Trent Univ, Canadian Environm Modelling Ctr, Peterborough, ON K9J 7B8, Canada. RIVM Lab Ecol Risk Assessment, NL-3720 BA Bilthoven, Netherlands. Commiss European Communities, I-21020 Ispra, Italy. Fed Environm Agcy Germany, Environm Exposure Assessment, D-14191 Berlin, Germany. Natl Inst Environm Studies, Tsukuba, Ibaraki 3058506, Japan. Univ Toronto, Dept Phys & Environm Sci, Scarborough, ON M1C 1A4, Canada. RP Scheringer, M (reprint author), Swiss Fed Inst Technol, CH-8093 Zurich, Switzerland. EM scheringer@chem.ethz.ch RI Beyer, Andreas/A-3352-2009; van de Meent, Dik/C-3982-2011; Wania, Frank/J-2532-2012; MacLeod, Matthew/D-5919-2013 OI Beyer, Andreas/0000-0002-3891-2123; Wania, Frank/0000-0003-3836-0901; MacLeod, Matthew/0000-0003-2562-7339 NR 33 TC 86 Z9 90 U1 3 U2 36 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 2005 VL 39 IS 7 BP 1932 EP 1942 DI 10.1021/es048917b PG 11 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 913SF UT WOS:000228172600016 PM 15871221 ER PT J AU Sani, RK Peyton, BM Dohnalkova, A Amonette, JE AF Sani, RK Peyton, BM Dohnalkova, A Amonette, JE TI Reoxidation of reduced uranium with iron(III) (hydr)oxides under sulfate-reducing conditions SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID DESULFOVIBRIO-DESULFURICANS G20; MICROBIAL REDUCTION; SUBSURFACE SEDIMENTS; HEAVY-METALS; BACTERIA; IRON; U(VI); TOXICITY; HEMATITE; FE(III) AB In cultures of Desulfovibrio desulfuricans G20 the effects of iron(III) (hydr)oxides (hematite, goethite, and ferrihydrite) on microbial reduction and reoxidation of uranium (U) were evaluated under lactate-limited sulfate-reducing conditions. With lactate present, G20 reduced U(VI) in both 1,4-piperazinediethanesulfonate (PIPES) and bicarbonate buffer. Once lactate was depleted, however, microbially reduced U served as an electron donor to reduce Fe(III) present in iron(III) (hydr)oxides. With the same initial amount of Fe(III) (10 mmol/L) for each iron(III) (hydr)oxide, reoxidation of U(IV) was greater with hematite than with goethite or ferrihydrite. As the initial mass loading of hematite increased from 0 to 20 mmol of Fe(III)/L, the rate and extent of U(IV) reoxidation increased. Subsequent addition of hematite [15 mmol of Fe(III)/L] to stationary-phase cultures containing microbially reduced U(IV) also resulted in rapid reoxidation to U(VI). Analysis by U L-3-edge X-ray absorption near-edge spectroscopy (XANES) of microbially reduced U particles yielded spectra similar to that of natural uraninite. Observations by high-resolution transmission electron microscopy, selected area electron diffraction, and energy-dispersive X-ray spectroscopic analysis confirmed that precipitated U associated with cells was uraninite with particle diameters of 3-5 nm. By the same techniques, iron sulfide precipitates were found to have a variable Fe and S stoichiometry and were not associated with cells. C1 Washington State Univ, Dept Chem Engn, Ctr Multiphase Environm Res, Pullman, WA 99164 USA. Pacific NW Natl Lab, Fundamental Sci Directorate, Richland, WA 99354 USA. RP Peyton, BM (reprint author), Washington State Univ, Dept Chem Engn, Ctr Multiphase Environm Res, Dana Hall Room 118, Pullman, WA 99164 USA. EM bmp@wsu.edu RI Peyton, Brent/G-5247-2015 OI Peyton, Brent/0000-0003-0033-0651 NR 56 TC 66 Z9 68 U1 8 U2 27 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 2005 VL 39 IS 7 BP 2059 EP 2066 DI 10.1021/es0494297 PG 8 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 913SF UT WOS:000228172600032 PM 15871237 ER PT J AU Lan, YQ Deng, BL Kim, C Thornton, EC Xu, HF AF Lan, YQ Deng, BL Kim, C Thornton, EC Xu, HF TI Catalysis of elemental sulfur nanoparticles on chromium(VI) reduction by sulfide under anaerobic conditions SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID HYDROGEN-SULFIDE; ELECTROCHEMICAL EVIDENCE; OXIDATION; KINETICS; ACID; SEAWATER; CR(VI); IRON; DELTA-MNO2; COMPLEXES AB Chromate (Cr-VI) reduction by sulfide was conducted in anaerobic batch experimental systems. The molar ratio of the reduced Cr-VI to the oxidized S-II was 1:1.5 during the reaction, suggesting that the product of sulfide oxidation was elemental sulfur. Under the anaerobic condition, the reaction was pseudo first order initially with respect to Cr-VI, but the rate was dramatically accelerated at the later stage of the reaction. The rate acceleration was due to catalysis by elemental sulfur nanoparticles; dissolved species such as monomeric elemental sulfur and polysulfides appeared to be ineffective catalysts. Elemental sulfur nanoparticles were capable of adsorbing sulfide and such adsorbed sulfide exhibited much higher reactivity toward Cr-VI reduction than the aqueous-phase sulfide, resulting in the observed rate acceleration. Kinetic data under various reactant concentrations can be represented by the following empirical kinetic equation: -d[Cr-VI]/dt= k(1) [Cr-VI][H2S](0.63) + k(3)[Cr-VI][&3bond; S-SH](0.57). The first term on the right-hand side corresponds to the noncatalytic pathway, with k(1) = 1.0 x 10(-3) (mu M)(-0.63) min(-1) at pH 7.60 and 8.2 x 10(-5) (mu M)(-0.63) min(-1) at pH 8.10. The second term, k(3)[Cr-VI][&3bond; S-SH](b), is the catalytic term with [&3bond; S-SH] representing the adsorbed concentration of sulfide on the elemental sulfur nanoparticles (mu M). The catalytic term is more important at the later stage of the reaction, as indicated by the observed kinetics and the enhancement of the reaction rate by externally added elemental sulfur nanoparticles. At pH 8.10, k3 = 0.0057 (mu M)(-0.57) min(-1). C1 Nanjing Agr Univ, Coll Sci, Nanjing 210095, Peoples R China. Univ Missouri, Dept Civil & Environm Engn, Columbia, MO 65211 USA. Univ Dubuque, Dept Environm Sci, Dubuque, IA 52001 USA. Pacific NW Natl Lab, Field Hydrol & Chem Grp, Richland, WA 99352 USA. Univ Wisconsin, Dept Geol & Geophys, Madison, WI 53706 USA. RP Lan, YQ (reprint author), Nanjing Agr Univ, Coll Sci, Nanjing 210095, Peoples R China. EM lanyq102@yahoo.com.cn; dengb@missouri.edu OI Deng, Baolin/0000-0001-6569-1808 NR 43 TC 48 Z9 53 U1 4 U2 55 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 2005 VL 39 IS 7 BP 2087 EP 2094 DI 10.1021/es048829r PG 8 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 913SF UT WOS:000228172600036 PM 15871241 ER PT J AU Powell, BA Fjeld, RA Kaplan, DI Coates, JT Serkiz, SM AF Powell, BA Fjeld, RA Kaplan, DI Coates, JT Serkiz, SM TI PU(V)0(2)(+) adsorption and reduction by synthetic hematite and goethite SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID DIFFERENT OXIDATION-STATES; NATURAL-WATERS; PLUTONIUM; SOLUBILITY; SPECIATION; CHEMISTRY; SEAWATER; OXIDE; PU; ENVIRONMENT AB Changes in aqueous- and solid-phase plutonium oxidation state were monitored over time in hematite (alpha-Fe2O3) and goethite (alpha-FeOOH) suspensions containing (PU)-P-239(V)-amended 0.01 M NaCl. Solid-phase oxidation state distribution was quantified by leaching plutonium into the aqueous phase and applying an ultrafiltration/solvent extraction technique. The technique was verified using oxidation state analogues of plutonium and sediment-free controls of known Pu oxidation state, Batch kinetic experiments were conducted at hematite and goethite concentrations between 10 and 500 m(2) L-1 in the pH range of 3-8. Surface-mediated reduction of Pu(V) was observed for both minerals at pH values of 4.5 and greater. At pH 3 no adsorption of Pu(V) was observed on either goethite or hematite; consequently, no reduction was observed. For hematite, adsorption of Pu (V) was the rate-limiting step in the adsorption/reduction process. In the pH range of 5-8, the overall removal of Pu(V) from the system (solid and aqueous phases) was found to be approximately second order with respect to hematite concentration and of order -0.39 with respect to the hydrogen ion concentration. The overall reaction rate constant (k(rxn)), including both adsorption and reduction of Pu(V), was 1.75 +/- 2.05 x 10(-10) (m(-2) L)(-2.08) (mol(-1) L)(-0.39) (s(-1)). In contrast to hematite, Pu(V) adsorption to goethite occurred rapidly relative to reduction. At a given pH,the reduction rate was approximately independent of the goethite concentration, although the hydrogen ion concentration (pH) had only a slight effect on the overall reaction rate. For goethite, the overall reaction rates at pH 5 and pH 8 were 6.0 x 10(-5) and 1.5 x 10(-1) s(-1), respectively. For hematite, the reaction rate increased by 3 orders of magnitude across the same pH range. C1 Clemson Univ, Dept Environm Engn & Sci, Clemson, SC 29625 USA. Westinghouse Savannah River Co, Savannah River Lab, Aiken, SC 29808 USA. RP Powell, BA (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. EM BAPowell@lbl.gov RI Powell, Brian /C-7640-2011 OI Powell, Brian /0000-0003-0423-0180 NR 39 TC 74 Z9 75 U1 4 U2 29 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 2005 VL 39 IS 7 BP 2107 EP 2114 DI 10.1021/es0487168 PG 8 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 913SF UT WOS:000228172600039 PM 15871244 ER PT J AU Kantar, C Gillow, JB Harper-Arabie, R Honeyman, BD Francis, AJ AF Kantar, C Gillow, JB Harper-Arabie, R Honeyman, BD Francis, AJ TI Determination of stability constants of U(VI)-Fe(III)-citrate complexes SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID MIXED-METAL COMPLEXES; HUMIC-ACID COMPLEXES; CITRATE COMPLEXES; TARTARIC ACIDS; FULVIC-ACIDS; EXCHANGE; BINDING; MODELS; URANIUM(VI); IRON AB Ion-exchange experiments were performed to evaluate the formation of the uranium-citrate and uranium-iron-citrate complexes over a wide concentration range; i.e., environmentally relevant concentrations (e.g., 10(-6) M in metal and ligand) and concentrations useful for spectroscopic investigations (e.g., 10(-4) M in metal and ligand). The stability of the well-known uranium-citrate complex was determined to validate the computational and experimental methods applied to the more complex system. Values of the conditional stability constants for these species were obtained using a chemical equilibrium model in FITEQL. At a pH of 4.0, the stability constant for uranium-citrate complex (log beta(1,1)) was determined to be 8.71 +/- 0.6 at I = 0. Analysis of the results of ion-exchange experiments for the U-Fe-citric acid system indicates the formation of the 1:11:11 and 1:11:2 ternary species with stability constants (log beta) of 17.10 +/- 0.41 and 20.47 +/- 0.31, respectively, at I = 0. C1 Colorado Sch Mines, Environm Sci & Engn Div, Golden, CO 80401 USA. Mersin Univ, Dept Environm Engn, TR-33342 Merseburg, Germany. Brookhaven Natl Lab, Dept Environm Sci, Upton, NY 11973 USA. RP Honeyman, BD (reprint author), Colorado Sch Mines, Environm Sci & Engn Div, Golden, CO 80401 USA. EM honeyman@mines.edu RI Harper, Ruth/C-2512-2008 NR 43 TC 12 Z9 12 U1 4 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 1 PY 2005 VL 39 IS 7 BP 2161 EP 2168 DI 10.1021/es048852c PG 8 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 913SF UT WOS:000228172600046 PM 15871251 ER PT J AU McNear, DH Peltier, E Everhart, J Chaney, RL Sutton, S Newville, M Rivers, M Sparks, DL AF McNear, DH Peltier, E Everhart, J Chaney, RL Sutton, S Newville, M Rivers, M Sparks, DL TI Application of quantitative fluorescence and absorption-edge computed microtomography to image metal compartmentalization in Alyssum murale SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID HYPERACCUMULATOR THLASPI-CAERULESCENS; X-RAY-ABSORPTION; NICKEL-ACCUMULATING PLANTS; CELLULAR COMPARTMENTATION; PSYCHOTRIA-DOUARREI; FREE HISTIDINE; ZINC; LOCALIZATION; SPECTROSCOPY; BRASSICACEAE AB This paper shows that synchrotron-based fluorescence and absorption-edge computed microtomographies (CMT) are well-suited for determining the compartmentalization and concentration of metals in hyperaccumulating plant tissues. Fluorescence CMT of intact leaf, stem, and root samples revealed that Ni concentrated in stem and leaf dermal tissues and, together with Mn, in distinct regions associated with the Ca-rich trichomes on the leaf surface of the nickel hyperaccumulator Alyssum murale "Kotodesh". Metal enrichment was also observed within the vascular system of the finer roots, stem, and leaves but absent from the coarser root, which had a well-correlated metal coating. Absorption-edge CMT showed the three-dimensional distribution of the highest metal concentrations and verified that epidermal localization and Ni and Mn colocalization at the trichome base are phenomena that occurred throughout the entire leaf and may contribute significantly to metal detoxification and storage. Ni was also observed in the leaf tips, possibly resulting from release of excess Ni with guttation fluids. These results are consistent with a transport model where Ni is removed from the soil by the finer roots, carried to the leaves through the stem xylem, and distributed throughout the leaf by the veins to the dermal tissues, trichome bases, and in some cases the leaf tips. C1 Univ Delaware, Dept Plant & Soil Sci, Environm Soil Chem Res Grp, Newark, DE 19717 USA. USDA ARS, Anim Manure & Biprod Lab, Beltsville, MD 20705 USA. Univ Chicago, Consortium Adv Radiat Sci, Adv Photon Source, GSECARS, Argonne, IL 60439 USA. Univ Chicago, Dept Geophys Sci, Chicago, IL 60637 USA. RP McNear, DH (reprint author), Univ Delaware, Dept Plant & Soil Sci, Environm Soil Chem Res Grp, 152 Townsend Hall, Newark, DE 19717 USA. EM dmcnear@udel.edu NR 60 TC 99 Z9 102 U1 7 U2 39 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 2005 VL 39 IS 7 BP 2210 EP 2218 DI 10.1021/es0492034 PG 9 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 913SF UT WOS:000228172600051 PM 15871256 ER PT J AU Freitas, A von Manteuffel, A Zerwas, PM AF Freitas, A von Manteuffel, A Zerwas, PM TI Sneutrino production at e(+) e(-) linear colliders: addendum to slepton production SO EUROPEAN PHYSICAL JOURNAL C LA English DT Article ID SUPERSYMMETRIC THEORIES; SYSTEM; SCALE AB Complementing the preceding study of charged scalar leptons, the sector of the neutral scalar leptons, sneutrinos, is investigated in a high-precision analysis for future e(+)e(-) linear colliders. The theoretical predictions for the cross-sections are calculated at the thresholds for non-zero widths and in the continuum including higher-order corrections at the one-loop level. Methods for measuring the sneutrino masses and the electron-sneutrino-gaugino Yukawa couplings are presented, addressing theoretical problems specific for the sneutrino channels. C1 Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. DESY, D-22603 Hamburg, Germany. RP Freitas, A (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM afreitas@fnal.gov NR 24 TC 17 Z9 17 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013 USA SN 1434-6044 J9 EUR PHYS J C JI Eur. Phys. J. C PD APR PY 2005 VL 40 IS 3 BP 435 EP 445 DI 10.1140/epjc/s2005-02148-6 PG 11 WC Physics, Particles & Fields SC Physics GA 953ZA UT WOS:000231122700011 ER PT J AU Freitas, A Monig, K AF Freitas, A Monig, K TI Corrections to quark asymmetries at LEP SO EUROPEAN PHYSICAL JOURNAL C LA English DT Article ID STANDARD MODEL; ELECTROWEAK CORRECTIONS; MUON LIFETIME; INTERDEPENDENCE; PROGRAM AB The most precise measurement of the weak mixing angle sin(2)theta(eff)(l) at LEP is from the forward backward asymmetry e(+)e(-) -> bb at the Z-pole. In this note the QED and electroweak radiative corrections to obtain the pole asymmetry from the measured asymmetry for b- and c-quarks have been calculated using ZFITTER, which has been amended to allow a consistent treatment of partial two-loop corrections for the b- quark final asymmetries. A total correction of delta A(FB)(b) = 0.0019 +/- 0.0002 and delta A(FB)(c) = 0.0064 +/- 0.0001 has been found, where the remaining theoretical uncertainty is much too small to explain the apparent discrepancy between sin(2)theta(eff)(l) obtained from A(FB)(b) and from the left-right asymmetry at SLD. C1 Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. DESY, D-15738 Zeuthen, Germany. RP Freitas, A (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM afreitas@fnal.gov; Klaus.Moenig@desy.de NR 23 TC 8 Z9 8 U1 1 U2 1 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013 USA SN 1434-6044 J9 EUR PHYS J C JI Eur. Phys. J. C PD APR PY 2005 VL 40 IS 4 BP 493 EP 496 DI 10.1140/epjc/s2005-02164-6 PG 4 WC Physics, Particles & Fields SC Physics GA 953ZC UT WOS:000231122900005 ER PT J AU Rigamonti, S Proetto, CR Reboredo, FA AF Rigamonti, S Proetto, CR Reboredo, FA TI Novel properties of the Kohn-Sham exchange potential for open systems: Application to the two-dimensional electron gas SO EUROPHYSICS LETTERS LA English DT Article ID DENSITY-FUNCTIONAL THEORY; DERIVATIVE DISCONTINUITIES; ENERGY; SEMICONDUCTORS; EXPANSION; GAPS AB The properties of the Kohn-Sham (KS) exchange potential for open systems in thermodynamical equilibrium, where the number of particles is non-conserved, are analyzed with the Optimized Effective Potential (OEP) method of Density Functional Theory (DFT) at zero temperature. The quasi-two-dimensional electron gas (2DEG) is used as an illustrative example. The main findings are that the KS exchange potential builds a significant barrier-like structure under slight population of the second subband, and that both the asymptotic value of the KS exchange potential and the inter-subband energy jump discontinuously at the one-subband (1S) -> two-subband (2S) transition. The results obtained in this system offer new insights into open problems of semiconductors, such as the band-gap underestimation and the band-gap renormalization by photo-excited carriers. C1 Ctr Atom Bariloche, RA-8400 San Carlos De Bariloche, Rio Negro, Argentina. Inst Balseiro, RA-8400 San Carlos De Bariloche, Rio Negro, Argentina. Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Rigamonti, S (reprint author), Ctr Atom Bariloche, RA-8400 San Carlos De Bariloche, Rio Negro, Argentina. EM proetto@cab.cnea.gov.ar RI Reboredo, Fernando/B-8391-2009 NR 23 TC 8 Z9 8 U1 0 U2 1 PU E D P SCIENCES PI LES ULIS CEDEX A PA 17, AVE DU HOGGAR, PA COURTABOEUF, BP 112, F-91944 LES ULIS CEDEX A, FRANCE SN 0295-5075 J9 EUROPHYS LETT JI Europhys. Lett. PD APR PY 2005 VL 70 IS 1 BP 116 EP 122 DI 10.1209/epl/i2004-10462-4 PG 7 WC Physics, Multidisciplinary SC Physics GA 919OM UT WOS:000228627400018 ER PT J AU Dubreuil, F Fontaine, P Alba, M Daillant, J Mays, JW Zalczer, G Guenoun, P AF Dubreuil, F Fontaine, P Alba, M Daillant, J Mays, JW Zalczer, G Guenoun, P TI Buckling of charged diblock copolymer monolayers at the air-water interface SO EUROPHYSICS LETTERS LA English DT Article ID COLLAPSE; POLYELECTROLYTES; FILMS AB Langmuir films of charged-neutral diblock copolymers spread at the air/water interface were studied. A reversible buckling instability of large characteristic size (10 mu m range) is evidenced while compressing the films. A complete characterization of this phenomenon with respect to the polymer length was accomplished using optical microscopy and X-ray surface scattering. The polymer sub-phase concentration appears to control the instability threshold in surface pressure. In order to explain the observed linear variation of the buckling wavelength with the polymer mass, an analogy with the wrinkling of elastic layers is proposed. C1 CEA Saclay, DRECAM, Serv Phys Etat Condense, F-91191 Gif Sur Yvette, France. CNRS, Ctr Rech Macromol Vegetales, ICMG, F-38041 Grenoble, France. Ctr Univ Paris Sud, CNRS, CEA,MJENR, LURE, F-91898 Orsay, France. CEA Saclay, CNRS, UMR CEA,DRECAM, Leon Brillouin Lab, F-91191 Gif Sur Yvette, France. CEA Saclay, DRECAM, SCM, Lab LIONS, F-91191 Gif Sur Yvette, France. Univ Tennessee, Dept Chem, Div Chem Sci, Oak Ridge Natl Lab, Knoxville, TN 37996 USA. RP Dubreuil, F (reprint author), CEA Saclay, DRECAM, Serv Phys Etat Condense, F-91191 Gif Sur Yvette, France. EM pguenoun@cea.fr NR 29 TC 8 Z9 8 U1 0 U2 5 PU E D P SCIENCES PI LES ULIS CEDEX A PA 17, AVE DU HOGGAR, PA COURTABOEUF, BP 112, F-91944 LES ULIS CEDEX A, FRANCE SN 0295-5075 J9 EUROPHYS LETT JI Europhys. Lett. PD APR PY 2005 VL 70 IS 2 BP 176 EP 182 DI 10.1209/epl/i2004-10487-7 PG 7 WC Physics, Multidisciplinary SC Physics GA 919OO UT WOS:000228627600005 ER PT J AU Zimmers, A Tomczak, JM Lobo, RPSM Bontemps, N Hill, CP Barr, MC Dagan, Y Greene, RL Millis, AJ Homes, CC AF Zimmers, A Tomczak, JM Lobo, RPSM Bontemps, N Hill, CP Barr, MC Dagan, Y Greene, RL Millis, AJ Homes, CC TI Infrared properties of electron-doped cuprates: Tracking normal-state gaps and quantum critical behavior in Pr2-xCexCuO4 SO EUROPHYSICS LETTERS LA English DT Article ID SPIN CORRELATIONS; PHASE-DIAGRAM; SUPERCONDUCTIVITY; PSEUDOGAP AB We report the temperature dependence of the infrared-visible conductivity of Pr2-xCexCuO4 thin films. When varying the doping from a non-superconducting film (x = 0.11) to a superconducting overdoped film (x = 0.17), we observe, up to optimal doping (x = 0.15), a partial gap opening. The magnitude of this gap extrapolates to zero for x similar to 0.17. A model combining a spin density wave gap and a frequency- and temperature-dependent self-energy reproduces our data reasonably well, suggesting the coexistence of magnetism and superconductivity in this material and the existence of a quantum critical point at this Ce concentration. C1 ESPCI, CNRS, UPR 5, Lab Phys Solide, F-75005 Paris, France. Univ Maryland, Dept Phys, Ctr Superconduct Res, College Pk, MD 20742 USA. Columbia Univ, Dept Phys, New York, NY 10027 USA. Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Zimmers, A (reprint author), ESPCI, CNRS, UPR 5, Lab Phys Solide, 10 Rue Vauquelin, F-75005 Paris, France. EM lobo@espci.fr RI DAGAN, YORAM/E-7240-2011; Tomczak, Jan/A-9729-2012; OI DAGAN, YORAM/0000-0003-4715-0324; Tomczak, Jan/0000-0003-1581-8799; Lobo, Ricardo/0000-0003-2355-6856 NR 29 TC 64 Z9 65 U1 0 U2 3 PU E D P SCIENCES PI LES ULIS CEDEX A PA 17, AVE DU HOGGAR, PA COURTABOEUF, BP 112, F-91944 LES ULIS CEDEX A, FRANCE SN 0295-5075 J9 EUROPHYS LETT JI Europhys. Lett. PD APR PY 2005 VL 70 IS 2 BP 225 EP 231 DI 10.1209/epl/i2004-10480-2 PG 7 WC Physics, Multidisciplinary SC Physics GA 919OO UT WOS:000228627600012 ER PT J AU Day, GA Hoover, MD Stefaniak, AB Dickerson, RM Peterson, EJ Esmen, NA Scripsick, RC AF Day, GA Hoover, MD Stefaniak, AB Dickerson, RM Peterson, EJ Esmen, NA Scripsick, RC TI Bioavailability of beryllium oxide particles: An in vitro study in the murine J774A.1 macrophage cell line model SO EXPERIMENTAL LUNG RESEARCH LA English DT Article DE beryllium oxide; beryllium sensitization; chronic beryllium disease; dissolution; particles; phagocytosis ID RABBIT ALVEOLAR MACROPHAGES; GRANULOMATOUS LUNG-DISEASE; T-CELLS; INVITRO DISSOLUTION; HLA-DP; BRONCHOALVEOLAR LAVAGE; NATURAL-HISTORY; METAL PARTICLES; CANINE; AEROSOLS AB Beryllium metal and its oxide and alloys are materials of industrial significance with recognized adverse effects on worker health. Currently, the degree of risk associated with exposure to these materials in the workplace is assessed through measurement of beryllium aerosol mass concentration. Compliance with the current mass-based occupational exposure limit has proven ineffective at eliminating the occurrence of chronic beryllium disease (CBD). the rationale for this research was to examine the mechanism of beryllium bioavailability, which may be pertinent to risk. The authors tested the hypothesis in vitro that dissolution of particles engulfed by macrophages is greater than dissolution in cellular medium alone. Physicochemical changes were evaluated in vitro for well-characterized high purity beryllium oxide (BeO) particles in cell-free media alone and engulfed by and retained within murine J774A.1 monocyte-macrophage cells. The BeO particles were from a commercially available powder and consisted of diffuse clusters (aerodynamic diameter range 1.5 to 2.5 mu m) of 200-nm diameter primary particles. Following incubation for 124 to 144 hours, particles were recovered and recharacterized. Recovered particles were similar in morphology, chemical composition, and size relative to the original material, confirming the relatively insoluble nature of the BeO particles. Measurable levels of dissolved beryllium, representing 0.3% to 4.8% of the estimated total beryllium mass added, were measured in the recovered intra-cellular fluid. Dissolved beryllium was not detected in the extracellular media. The BeO chemical dissolution rate constant in the J774A.1 cells was 2.1 +/- 1.7 x 10(-8) g/(cm(2).day). In contrast, the BeO chemical dissolution rate constant in cell-free media was <8.1 x 10(-9) g/(cm(2).day). In vivo, beryllium dissolved by macrophages may be released in the pulmonary alveolar environment, in the lymphatic system after transport of beryllium by macrophages, or in the alveolar interstitium after migration and dissolution of beryllium, are consistent with previously observed results in canine alveolar macrophages, and provide insights into additional research needs to understand and prevent beryllium sensitization and CBD. C1 NIOSH, Ctr Dis Control & Prevent, Div Resp Dis Studies, Morgantown, WV 26505 USA. Los Alamos Natl Lab, Los Alamos, NM USA. Univ Oklahoma, Hlth Sci Ctr, Coll Publ Hlth, Dept Environm & Occupat Hlth, Oklahoma City, OK USA. Johns Hopkins Univ, Bloomberg Sch Publ Hlth, Div Environm Hlth Engn, Baltimore, MD USA. RP Day, GA (reprint author), NIOSH, CDC, 1095 Willowdale Rd,MS 2800, Morgantown, WV 26505 USA. EM gdd2@cdc.gov RI Stefaniak, Aleksandr/I-3616-2012; Hoover, Mark/I-4201-2012 OI Hoover, Mark/0000-0002-8726-8127 NR 74 TC 18 Z9 19 U1 1 U2 7 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 0190-2148 J9 EXP LUNG RES JI Exp. Lung Res. PD APR PY 2005 VL 31 IS 3 BP 341 EP 360 DI 10.1080/01902140590918731 PG 20 WC Respiratory System SC Respiratory System GA 913AA UT WOS:000228120700005 PM 15962713 ER PT J AU Frew, DJ Forrestal, MJ Chen, W AF Frew, DJ Forrestal, MJ Chen, W TI Pulse shaping techniques for testing elastic-plastic materials with a split Hopkinson pressure bar SO EXPERIMENTAL MECHANICS LA English DT Article DE Hopkinson pressure bar; pulse shaping; elastic-plastic materials ID STRAIN RATES; STRESS; DEFORMATION; SPECIMEN AB We present pulse shaping techniques to obtain compressive stress-strain data for elastic-plastic materials with a split Hopkinson pressure bar. The conventional split Hopkinson pressure bar apparatus is modified by placing a combination of copper and steel pulse shapers on the impact surface of the incident bar. After impact by the striker bar, the copper-steel pulse shaper deforms plastically and spreads the pulse in the incident bar so that the sample is nearly in dynamic stress equilibrium and has a nearly constant strain rate in the plastic response region. We present analytical models and data that show a broad range of incident strain pulses can be obtained by varying the pulse shaper geometry and striking velocity. For an application, we present compressive stress-strain data for 4340 R-c 43 steel. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. Purdue Univ, Sch Aeronaut & Astronaut, W Lafayette, IN 47907 USA. Purdue Univ, Sch Mat Engn, W Lafayette, IN 47907 USA. RP Frew, DJ (reprint author), Sandia Natl Labs, Albuquerque, NM 87185 USA. EM djfrew@sandia.gov NR 25 TC 71 Z9 79 U1 4 U2 23 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0014-4851 EI 1741-2765 J9 EXP MECH JI Exp. Mech. PD APR PY 2005 VL 45 IS 2 BP 186 EP 195 DI 10.1177/0014485105052111 PG 10 WC Materials Science, Multidisciplinary; Mechanics; Materials Science, Characterization & Testing SC Materials Science; Mechanics GA 909SY UT WOS:000227882200011 ER PT J AU Segelke, B AF Segelke, B TI Macromolecular crystallization with microfluidic free-interface diffusion SO EXPERT REVIEW OF PROTEOMICS LA English DT Review DE crystallization; crystallography; free-interface diffusion; high-throughput; microfluidics; nanoliter; structural genomics; Topaz (TM) ID PROTEIN CRYSTALLIZATION; MICROBATCH AB Fluidigm Corp. released the Topaz (TM) 1.96 and 4.96 crystallization chips in the fall of 2004. Topaz 1.96 and 4.96 are the latest evolution of Fluidigm's microfluidics crystallization technologies that enable ultra-low-volume rapid screening for macromolecular crystallization. Topaz 1.96 and 4.96 are similar to each other but represent a major redesign of the Topaz system and have substantially improved ease of automation and ease of use, improved efficiency and even further reduced the amount of material needed. With the release of the new Topaz system, Fluidigm continues to set the standard in low-volume crystallization screening, which is having an increasing impact in the field of structural genomics and more generally in structural biology. It is likely that further optimization and increased utility of the Topaz crystallization system will emerge. It is also probable that further innovation and the emergence of competing technologies will be seen. C1 Lawrence Livermore Natl Lab, Biol & Biotechnol Program, Livermore, CA 94551 USA. RP Segelke, B (reprint author), Lawrence Livermore Natl Lab, Biol & Biotechnol Program, 7000 East Ave, Livermore, CA 94551 USA. EM segelke1@llnl.gov NR 18 TC 16 Z9 17 U1 1 U2 8 PU FUTURE DRUGS LTD PI LONDON PA UNITEC HOUSE, 3RD FL, 2 ALBERT PLACE, FINCHLEYY CENTRAL, LONDON N3 1QB, ENGLAND SN 1478-9450 J9 EXPERT REV PROTEOMIC JI Expert Rev. Proteomics PD APR PY 2005 VL 2 IS 2 BP 165 EP 172 DI 10.1586/14789450.2.2.165 PG 8 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA 940RV UT WOS:000230162700008 PM 15892562 ER PT J AU Zhang, CG Chromy, BA McCutchen-Maloney, SL AF Zhang, CG Chromy, BA McCutchen-Maloney, SL TI Hoat-pathogen interactions: a proteomic view SO EXPERT REVIEW OF PROTEOMICS LA English DT Review DE biodefense; host-pathogen interactions; infectious diseases; pathogenicity; presymptomatic detection; proteomics; therapeutics; virulence ID ACUTE RESPIRATORY SYNDROME; PUBLIC-HEALTH MANAGEMENT; HUMAN INFLUENZA-VIRUSES; BACILLUS-ANTHRACIS; MYCOBACTERIUM-TUBERCULOSIS; ESCHERICHIA-COLI; YERSINIA-PESTIS; MASS-SPECTROMETRY; CANDIDA-ALBICANS; GENE-EXPRESSION AB Host-pathogen interactions reflect the balance of host defenses and pathogen virulence mechanisms. Advances in proteomic technologies now afford opportunities to compare protein content between complex biologic systems ranging from cells to animals and clinical samples. Thus, it is now possible to characterize host-pathogen interactions from a global proteomic view. Most reports to date focus on cataloging protein content of pathogens and identifying virulence-associated proteins or proteomic alterations in host response. A more in-depth understanding of host-pathogen interactions has the potential to improve our mechanistic understanding of pathogenicity and virulence, thereby defining novel therapeutic and vaccine targets. In addition, proteomic characterization of the host response can provide pathogen-specific host biomarkers for rapid pathogen detection and characterization, as well as for early and specific detection of infectious diseases. A review of host-pathogen interactions focusing on proteomic analyses of both pathogen and host will be presented. Relevant genomic studies and host model systems will be also be discussed. C1 Lawrence Livermore Natl Lab, Biosci Directorate, Livermore, CA 94550 USA. RP McCutchen-Maloney, SL (reprint author), Lawrence Livermore Natl Lab, Biosci Directorate, 7000 East Ave, Livermore, CA 94550 USA. EM Smaloney@llnl.gov NR 105 TC 42 Z9 42 U1 1 U2 10 PU FUTURE DRUGS LTD PI LONDON PA UNITEC HOUSE, 3RD FL, 2 ALBERT PLACE, FINCHLEYY CENTRAL, LONDON N3 1QB, ENGLAND SN 1478-9450 J9 EXPERT REV PROTEOMIC JI Expert Rev. Proteomics PD APR PY 2005 VL 2 IS 2 BP 187 EP 202 DI 10.1586/14789450.2.2.187 PG 16 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA 940RV UT WOS:000230162700010 PM 15892564 ER PT J AU Ritchie, RO Kinney, JH Kruzic, JJ Nalla, RK AF Ritchie, RO Kinney, JH Kruzic, JJ Nalla, RK TI A fracture mechanics and mechanistic approach to the failure of cortical bone SO FATIGUE & FRACTURE OF ENGINEERING MATERIALS & STRUCTURES LA English DT Review DE bone; crack bridging; fatigue; fracture; microcracking; toughening ID FATIGUE-CRACK-PROPAGATION; AGE-RELATED-CHANGES; COMPACT-BONE; GROWTH-RESISTANCE; TRABECULAR BONE; LONGITUDINAL FRACTURE; DAMAGE ACCUMULATION; SPECIMEN THICKNESS; TENSILE PROPERTIES; MICROCRACK GROWTH AB The fracture of bone is a health concern of increasing significance as the population ages. It is therefore of importance to understand the mechanics and mechanisms of how bone fails, both from a perspective of outright (catastrophic) fracture and from delayed/time-dependent (subcritical) cracking. To address this need, there have been many in vitro studies to date that have attempted to evaluate the relevant fracture and fatigue properties of human cortical bone; despite these efforts, however, a complete understanding of the mechanistic aspects of bone failure, which spans macroscopic to nanoscale dimensions, is still lacking. This paper seeks to provide an overview of the current state of knowledge of the fracture and fatigue of cortical bone, and to address these issues, whenever possible, in the context of the hierarchical structure of bone. One objective is thus to provide a mechanistic interpretation of how cortical bone fails. A second objective is to develop a framework by which fracture and fatigue results in bone can be presented. While most studies on bone fracture have relied on linear-elastic fracture mechanics to determine a single-value fracture toughness (e.g., K(c) or G(c)), more recently, it has become apparent that, as with many composites or toughened ceramics, the toughness of bone is best described in terms of a resistance-curve (R-curve), where the toughness is evaluated with increasing crack extension. Through the use of the R-curve, the intrinsic and extrinsic factors affecting its toughness are separately addressed, where 'intrinsic' refers to the damage processes that are associated with crack growth ahead of the tip, and 'extrinsic' refers to the shielding mechanisms that primarily act in the crack wake. Furthermore, fatigue failure in bone is presented from both a classical fatigue life (S/N) and fatigue-crack propagation (da/dN) perspective, the latter providing for an easier interpretation of fatigue micromechanisms. Finally, factors, such as age, species, orientation, and location, are discussed in terms of their effect on fracture and fatigue behaviour and the associated mechanisms of bone failure. 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. Oregon State Univ, Dept Mech Engn, Corvallis, OR 97331 USA. RP Ritchie, RO (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM roritchie@lbl.gov RI Ritchie, Robert/A-8066-2008; Kruzic, Jamie/M-3558-2014 OI Ritchie, Robert/0000-0002-0501-6998; Kruzic, Jamie/0000-0002-9695-1921 NR 127 TC 51 Z9 54 U1 3 U2 34 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 8756-758X J9 FATIGUE FRACT ENG M JI Fatigue Fract. Eng. Mater. Struct. PD APR PY 2005 VL 28 IS 4 BP 345 EP 371 DI 10.1111/j.1460-2695.2005.00878.x PG 27 WC Engineering, Mechanical; Materials Science, Multidisciplinary SC Engineering; Materials Science GA 902IH UT WOS:000227347700001 ER PT J AU Rasko, DA Altherr, MR Han, CS Ravel, J AF Rasko, DA Altherr, MR Han, CS Ravel, J TI Genomics of the Bacillus cereus group of organisms SO FEMS MICROBIOLOGY REVIEWS LA English DT Review DE Bacillus cereus; Bacillus anthracis; genome; plasmid ID THURINGIENSIS SUBSP ISRAELENSIS; 16S RIBOSOMAL-RNA; LENGTH POLYMORPHISM ANALYSIS; MEDIATED CONJUGATION SYSTEM; CLOSELY-RELATED BACTERIA; STATE REGULATOR ABRB; ANTHRAX TOXIN; PROTECTIVE ANTIGEN; PROTEOMIC ANALYSIS; SEQUENCE-ANALYSIS AB Members of the Bacillus cereus group of organisms include Bacillus cereus, Bacillus anthracis and Bacillus thuringiensis. Collectively, these organisms represent microbes of high economic, medical and biodefense importance. Given this significance, this group contains the highest number of closely related fully sequenced genomes, giving the unique opportunity for thorough comparative genomic analyses. Much of the disease and host specificity of members of this group can be attributed to their plasmids, which vary in size and number. Chromosomes exhibit a high level of synteny and protein similarity, with limited differences in gene content, questioning the speciation of the group members. Genomic data have spurred functional studies that combined microarrays and proteomics. Recent advances are reviewed in this article and highlight the advantages of genomic approaches to the study of this important group of bacteria. (c) 2005 Federation of European Microbiological Societies. Published by Elsevier B.V. All rights reserved. C1 Inst Genom Res, Rockville, MD 20850 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Ravel, J (reprint author), Inst Genom Res, 9712 Med Ctr Dr, Rockville, MD 20850 USA. EM jravel@tigr.org RI Ravel, Jacques/D-2530-2009; OI Ravel, Jacques/0000-0002-0851-2233; David, Rasko/0000-0002-7337-7154 FU NIAID NIH HHS [N01-AI5447] NR 135 TC 241 Z9 265 U1 6 U2 39 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-6445 J9 FEMS MICROBIOL REV JI Fems Microbiol. Rev. PD APR PY 2005 VL 29 IS 2 BP 303 EP 329 DI 10.1016/j.femsre.2004.12.005 PG 27 WC Microbiology SC Microbiology GA 917YT UT WOS:000228506000009 PM 15808746 ER PT J AU Ghosal, D Omelchenko, MV Gaidamakova, EK Matrosova, VY Vasilenko, A Venkateswaran, A Zhai, M Kostandarithes, HM Brim, H Makarova, KS Wackett, LP Fredrickson, JK Daly, MJ AF Ghosal, D Omelchenko, MV Gaidamakova, EK Matrosova, VY Vasilenko, A Venkateswaran, A Zhai, M Kostandarithes, HM Brim, H Makarova, KS Wackett, LP Fredrickson, JK Daly, MJ TI How radiation kills cells: Survival of Deinococcus radiodurans and Shewanella oneidensis under oxidative stress SO FEMS MICROBIOLOGY REVIEWS LA English DT Review DE oxidative stress; UV; desiccation; ionizing radiation; cytochromes; flavins; nucleoid; manganese; iron; Shewanella; Deinococcus; Kineococcus ID MICROCOCCUS-RADIODURANS; SUPEROXIDE-DISMUTASE; IONIZING-RADIATION; HYDROGEN-PEROXIDE; ESCHERICHIA-COLI; GAMMA-RADIATION; DESERT VARNISH; RESISTANCE; MANGANESE; BACTERIUM AB We have recently shown that Demococcus radiodurans and other radiation resistant bacteria accumulate exceptionally high intracellular manganese and low iron levels. In comparison, the dissimilatory metal-reducing bacterium Shewanella oneidensis accumulates Fe but not Mn and is extremely sensitive to radiation. We have proposed that for Fe-rich, Mn-poor cells killed at radiation doses which cause very little DNA damage, cell death might be induced by the release of Fe(II) from proteins during irradiation, leading to additional cellular damage by Fe(II)-dependent oxidative stress. in contrast, Mn(II) ions concentrated in D. radiodurans might serve as antioxidants that reinforce enzymic systems which defend against oxidative stress during recovery. We extend our hypothesis here to include consideration of respiration, tricarboxylic acid cycle activity, peptide transport and metal reduction, which together with Mn(II) transport represent potential new targets to control recovery from radiation injury. (c) 2005 Federation of European Microbiological Societies. Published by Elsevier B.V. All rights reserved. C1 Uniformed Serv Univ Hlth Sci, Bethesda, MD 20814 USA. NIH, Bethesda, MD 20894 USA. Pacific NW Natl Lab, Richland, WA 99352 USA. Howard Univ, Washington, DC 20059 USA. Univ Minnesota, St Paul, MN 55108 USA. RP Daly, MJ (reprint author), Uniformed Serv Univ Hlth Sci, Bethesda, MD 20814 USA. EM mdaly@usuhs.mil NR 68 TC 129 Z9 137 U1 11 U2 38 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-6445 J9 FEMS MICROBIOL REV JI Fems Microbiol. Rev. PD APR PY 2005 VL 29 IS 2 BP 361 EP 375 DI 10.1016/j.femsre.2004.12.007 PG 15 WC Microbiology SC Microbiology GA 917YT UT WOS:000228506000011 PM 15808748 ER PT J AU Heinstein, MW AF Heinstein, MW TI A finite element multiscale capability for nonlinear quasistatic stress analysis SO FINITE ELEMENTS IN ANALYSIS AND DESIGN LA English DT Article AB Failure modeling is inherently a multi length scale phenomenon that requires a failure model and a computational method that solves for stress/strain gradients at interesting locations. Focusing on the computational method, we recognize that the mesh resolution must be relatively fine in regions where failure is expected and relatively coarse elsewhere. Furthermore, in some modeling approaches the topology in the structural model is different than that required in the fine scale model where failure is to be predicted. This necessarily precludes approaches such as h-adaptivity. We are therefore led to consider multiscale approaches to solve these problems.This work describes an approach to solve multiple (a reference scale and fine scale) coupled boundary value problems for the purpose of nonlinear quasistatic stress analysis. Two examples are included: one example illustrates the multiscale solution strategy to perform quasistatic stress analysis and the other demonstrates the computational beginnings of the ability to model material failure. (c) 2005 Elsevier B.V. All rights reserved. C1 Sandia Natl Labs, Computat Solid Mech & Struct Dynam Dept, Albuquerque, NM 87185 USA. RP Heinstein, MW (reprint author), Sandia Natl Labs, Computat Solid Mech & Struct Dynam Dept, Albuquerque, NM 87185 USA. EM mwheins@sandia.gov NR 8 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-874X J9 FINITE ELEM ANAL DES JI Finite Elem. Anal. Des. PD APR PY 2005 VL 41 IS 7-8 BP 800 EP 817 DI 10.1016/j.finel.2004.10.010 PG 18 WC Mathematics, Applied; Mechanics SC Mathematics; Mechanics GA 913BU UT WOS:000228126000007 ER PT J AU McKinstry, CA Simmons, MA Simmons, CS Johnson, RL AF McKinstry, CA Simmons, MA Simmons, CS Johnson, RL TI Statistical assessment of fish behavior from split-beam hydro-acoustic sampling SO FISHERIES RESEARCH LA English DT Article DE fish entrainment; strobe lights; log-linear models; odds-ratios; circular statistics; hydro-acoustics; fish behavior AB Statistical methods are presented for using echo-traces from split-beam hydro-acoustic sampling to quantitatively assess fish behavior in response to a stimulus. The data presented are from a 2002 study designed to assess the response of free-ranging, lake-resident fish, primarily kokanee (Oncorhynchus nerka) and rainbow trout (Oncorhynchus mykiss), to high intensity strobe lights. The study was conducted in the Forebay of Grand Coulee Dam on the Columbia River in Northern Washington State. The lights were deployed immediately upstream from hydroelectric turbine intakes, in a region of approximately 50 m depth, which is exposed to alternate periods of high and low flows over a 24-h power generation cycle. The study design included five down-looking split-beam transducers positioned in a line at incremental distances upstream from the strobe lights, and a 3-level treatment applied in randomized pseudo-replicate blocks. The fundamental sampling units (fish-tracks) were analyzed by transducer position and treatment level using odds-ratios estimated from log-linear models. Fish-track direction of movement was analyzed using circular probability distributions. Both analyses are depicted graphically. Study results suggest the lights and light frame both increased fish activity in the vicinity of the light frame that could be interpreted as attraction. Increased fish activity associated with the strobe lights was most notable at night and during period, of low flow; increased fish activity associated with the strobe light frame was most notable during periods of higher flow. The lights induced notable bimodality in the angular distributions of the fish tracks suggesting further induced changes in behavior associated with the lights. Statistical summaries are presented along with statistical inferences supporting interpretations and conclusions on fish behavior. (c) 2004 Elsevier B.V. All rights reserved. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP McKinstry, CA (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd MSIN K5-12,POB 999, Richland, WA 99352 USA. EM craig.mckinstry@pnl.gov NR 19 TC 6 Z9 6 U1 1 U2 6 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0165-7836 J9 FISH RES JI Fish Res. PD APR PY 2005 VL 72 IS 1 BP 29 EP 44 DI 10.1016/j.fishres.2004.10.014 PG 16 WC Fisheries SC Fisheries GA 908YU UT WOS:000227826900003 ER PT J AU Metts, BS Hopkins, WA Nestor, JP AF Metts, BS Hopkins, WA Nestor, JP TI Interaction of an insecticide with larval density in pond-breeding salamanders (Ambystoma) SO FRESHWATER BIOLOGY LA English DT Article DE Ambystoma maculatum; Ambystoma opacum; carbaryl; density; insecticide ID DECLINING AMPHIBIAN POPULATIONS; ZOOPLANKTON COMMUNITIES; GEOGRAPHIC-VARIATION; HYLA-VERSICOLOR; LIFE-HISTORY; UV-B; CARBARYL; GROWTH; PESTICIDES; COMPETITION AB 1. Amphibian populations residing in or near agricultural areas are often susceptible to pesticide contamination. Recent evidence suggests that the effects of pesticides on amphibians often exceed those estimated in laboratory toxicity tests because other environmental factors (e. g. predators, resource abundance) can influence pesticide toxicity. 2. To examine the effects of an insecticide (carbaryl) on two species of Ambystoma salamanders experiencing the natural stress of competition, we manipulated chemical concentration (control, 3.5 and 7.0 mg L-1) and larval density (low and high). We determined the effect of treatments on snout-vent length (SVL), growth rate, lipid reserves, time to metamorphosis, per cent survival and per cent metamorphosis. 3. Carbaryl negatively affected all response variables of Ambystoma maculatum significantly, and significantly reduced survival and metamorphosis of A. opacum. Increased density significantly influenced SVL, lipid reserves, growth rate and metamorphosis of A. maculatum. 4. The effects of carbaryl and increased density on per cent metamorphosis were nearly additive, but were generally less than additive on other variables. 5. The negative effects of chemical contamination on salamanders were likely because of pesticide-induced reductions of food resources, as zooplankton abundance decreased by as much as 97% following carbaryl application. 6. Our study demonstrates the importance of the interactive effects that chemical contamination and natural environmental factors have on salamanders. C1 Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. RP Metts, BS (reprint author), Univ Georgia, Savannah River Ecol Lab, Drawer E, Aiken, SC 29802 USA. EM metts@srel.edu NR 52 TC 30 Z9 31 U1 5 U2 17 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0046-5070 J9 FRESHWATER BIOL JI Freshw. Biol. PD APR PY 2005 VL 50 IS 4 BP 685 EP 696 DI 10.1111/j.1365-2427.2005.01342.x PG 12 WC Marine & Freshwater Biology SC Marine & Freshwater Biology GA 906NE UT WOS:000227648100012 ER PT J AU Hickner, MA Pivovar, BS AF Hickner, MA Pivovar, BS TI The chemical and structural nature of proton exchange membrane fuel cell properties SO FUEL CELLS LA English DT Article DE fuel cell; nature of water; proton exchange membrane; structure-property relationships; transport processes ID PERFLUOROSULFONATE IONOMER FILMS; POLYMER-ELECTROLYTE MEMBRANES; BLEND MEMBRANES; MORPHOLOGICAL PROPERTIES; COMPOSITE MEMBRANES; COMMERCIAL FILMS; SELF-DIFFUSION; WATER-CONTENT; TRANSPORT; NAFION AB The chemical and structural (morphological) features of proton exchange membranes are directly tied to their fuel cell relevant transport properties. A large body of research has focused on characterizing the structure or investigating the properties of Nafion (R) and other proton exchange membranes, but few studies have linked chemical composition to membrane morphology, and resulting transport properties. This paper systematically discusses the key chemical and structural features of proton exchange membranes that impact properties critical for fuel cell applications. We focus our discussion on the fuel cell relevant transport properties of proton conductivity, methanol permeability, water diffusion coefficient, and electro-osmotic drag coefficient, using evidence from our work and from the literature to illustrate the connection between structure and properties in these materials. It is hoped that this document will serve as a guide to the rational, systematic design of new proton exchange membrane materials with improved properties. C1 Los Alamos Natl Lab, MST11, Elect & Electrochem Devices, Los Alamos, NM 87545 USA. RP Pivovar, BS (reprint author), Los Alamos Natl Lab, MST11, Elect & Electrochem Devices, POB 1663,MS D429, Los Alamos, NM 87545 USA. EM pivovar@lanl.gov NR 64 TC 221 Z9 224 U1 11 U2 60 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1615-6846 J9 FUEL CELLS JI Fuel Cells PD APR PY 2005 VL 5 IS 2 BP 213 EP 229 DI 10.1002/fuce.200400064 PG 17 WC Electrochemistry; Energy & Fuels SC Electrochemistry; Energy & Fuels GA 968YG UT WOS:000232198800005 ER PT J AU Moses, EI Wuest, CR AF Moses, EI Wuest, CR TI The National Ignition Facility: Laser performance and first experiments SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 17th Topical Meeting on the Technology of Fusion Energy CY SEP 14-16, 2004 CL Madison, WI ID FUSION; DESIGN AB The National Ignition Facility (NIF) at the Lawrence Livermore National Laboratory is a stadium-sizedfacility containing a 192-beam, 1.8-Megajoule, 500-Terawatt, ultraviolet laser system together with a 10-meter diameter target chamber with room for nearly 100 experimental diagnostics. NIF will be the world's largest and most energetic laser experimental system, providing a scientific center to study inertial confinement fusion (ICF) and matter at extreme energy densities and pressures. NIF's energetic laser beams will compress fusion targets to conditions required for thermonuclear burn, liberating more energy than required to initiate the fusion reactions. Other NIF experiments will study physical processes at temperatures approaching 10(8) K and 10(11) bar, conditions that exist naturally only in the interior of stars, planets and in nuclear weapons. NIF has successfully activated, commissioned, and utilized the first four beams of the laser system to conduct over 300 shots between November 2002 and August 2004. NIF laser scientists have established that the laser meets nearly all performance requirements on a per beam basis for energy, uniformity, timing, and pulse shape. Using these four beams, ICF and high energy-density physics researchers have conducted a number of experimental campaigns resulting in high quality data that could not be reached on any other laser system. We discuss the successful NIF Early Light Program including details of laser performance, examples of experiments performed to date, and recent advances in the ICF Program that enhance prospects for successful achievement of fusion ignition on NIF. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Moses, EI (reprint author), Lawrence Livermore Natl Lab, POB 808 L-466, Livermore, CA 94551 USA. EM moses1@llnl.gov NR 23 TC 96 Z9 97 U1 4 U2 18 PU AMER NUCLEAR SOCIETY PI LA GRANGE PK PA 555 N KENSINGTON AVENUE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD APR PY 2005 VL 47 IS 3 BP 314 EP 322 PG 9 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 911CF UT WOS:000227978200007 ER PT J AU Peng, YKM Neumeyer, CA Fogarty, PJ Kessel, C Strickler, DJ Rutherford, P Mikkelsen, D Burgess, TW Sabbagh, S Menard, J Gates, D Bell, R LeBlanc, B Mitarai, O Schmidt, J Synakowski, E Tsai, J Grisham, L Nelson, BE Cheng, ET El-Guebaiy, L AF Peng, YKM Neumeyer, CA Fogarty, PJ Kessel, C Strickler, DJ Rutherford, P Mikkelsen, D Burgess, TW Sabbagh, S Menard, J Gates, D Bell, R LeBlanc, B Mitarai, O Schmidt, J Synakowski, E Tsai, J Grisham, L Nelson, BE Cheng, ET El-Guebaiy, L TI Fusion engineering and plasma science conditions of spherical torus component test facility SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 17th Topical Meeting on the Technology of Fusion Energy CY SEP 14-16, 2004 CL Madison, WI ID VOLUMETRIC NEUTRON SOURCE; LOW-ASPECT-RATIO; TOKAMAK PHYSICS; LONG-PULSE; HIGH-BETA; NSTX; DESIGN; CONFINEMENT; OPERATION; TRANSPORT AB A broadly based study of the fusion engineering and plasma science conditions of a Component Test Facility (CTF),(1) using the Spherical Torus or Spherical Tokamak (ST) configuration, have been carried out. The chamber systems testing conditions in a CTF are characterized by high fusion neutron fluxes Gamma(n) > 4.4x10(13) n/s/cm(2), over size scales > 10(5) cm(2) and depth scales > 50 cm, delivering > 3 accumulated displacement per atom (dpa) per year. 3 The desired chamber conditions can be provided by a CTF with R-0 = 1.2 m, A = 1.5, elongation similar to 3, I-p similar to 9 MA, B-T similar to 2.5 T, producing a driven fusion burn using 36 MW of combined neutral beam and RF power. Relatively robust ST plasma conditions are adequate, which have been shown achievable 4 without active feedback manipulation of the MHD modes. The ST CTF will test the single-turn, copper alloy center leg for the toroidal field coil without an induction solenoid and neutron shielding, and require physics data on solenoid free plasma current initiation, ramp-tip, and sustainment to multiple AM level. A new systems code that combines the key required plasma and engineering science conditions of CTF has been prepared and utilized as part of this study. The results show high potential for a family of lower-cost CTF devices to suit a variety of fusion engineering science test missions. C1 UT Battelle, Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. Columbia Univ, New York, NY 10027 USA. Kyushu Tokai Univ, Kumamoto, Japan. TSI Res, Solano Beach, CA 92075 USA. Univ Wisconsin, Madison, WI 53706 USA. RP Peng, YKM (reprint author), UT Battelle, Oak Ridge Natl Lab, POB 2009, Oak Ridge, TN 37831 USA. EM mpeng@ppyl.gov; cneumeyer@pppl.gov; ssabbagh@pppl.gov; omitarai@ktmail.ktokai-u.ac.jp; etcheng@cts.com; elguebaly@engr.wisc.edu RI Sabbagh, Steven/C-7142-2011; OI Menard, Jonathan/0000-0003-1292-3286 NR 58 TC 1 Z9 1 U1 0 U2 3 PU AMER NUCLEAR SOCIETY PI LA GRANGE PK PA 555 N KENSINGTON AVENUE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD APR PY 2005 VL 47 IS 3 BP 370 EP 383 PG 14 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 911CF UT WOS:000227978200014 ER PT J AU Meade, DM AF Meade, DM TI Fire, a test bed for ARIES-RS/AT advanced physics and plasma technology SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 17th Topical Meeting on the Technology of Fusion Energy CY SEP 14-16, 2004 CL Madison, WI ID ELMY H-MODES; FUSION; TOKAMAKS; CONFINEMENT; PERFORMANCE; SHEAR AB The overall vision for FIRE is to develop and test the fusion plasma physics and plasma technologies needed to realize capabilities of the ARIES-RS/AT power plant designs. The mission of FIRE is to attain, explore, understand and optimize a fusion dominated plasma which would be satisfied by producing DT fusion plasmas with nominal fusion gains similar to 10, self-driven currents of approximate to 80%, fusion power similar to 150 - 300 MW and pulse lengths up to 40 s. Achieving these goals will require the deployment of several key fusion technologies under conditions approaching those of ARIES-RS/AT The FIRE plasma configuration with strong plasma shaping, a double null pumped divertor and all metal plasma facing components is a 40% scale model of the ARIES-RS/AT plasma configuration. "Steady-state" advanced tokamak modes in FIRE with high beta, high bootstrap fraction and 100% non-inductive current drive are suitable for testing the physics of the ARIES-RS/AT operating modes. The development of techniques to handle power plant relevant exhaust power while maintaining low tritium inventory is a major objective for a burning plasma experiment. The FIRE H-modes and AT-modes result in fusion power densities from 3 - 10 MWm(-3) and neutron wall loading from 2 - 4 MW m(-2) which are at the levels expected from the ARIES-RS/AT design studies. C1 Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Meade, DM (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. EM dmeade@pppl.gov NR 19 TC 0 Z9 0 U1 0 U2 1 PU AMER NUCLEAR SOCIETY PI LA GRANGE PK PA 555 N KENSINGTON AVENUE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD APR PY 2005 VL 47 IS 3 BP 393 EP 399 PG 7 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 911CF UT WOS:000227978200016 ER PT J AU Garabedian, PR Ku, LP AF Garabedian, PR Ku, LP CA ARIES Team TI Reactors with stellarator stability and tokamak transport SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 17th Topical Meeting on the Technology of Fusion Energy CY SEP 14-16, 2004 CL Madison, WI AB The discover of quasiaxially symmetric stellarators whose magnetic spectrum has approximate two-dimensional symmetry opens up the possibility of designing fusion reactors that have tokamak transport and stellarator stability. Prototypes with two or three field periods have asymmetries almost as small as the coefficients for a typical tokamak that are associated with ripple from the toroidal coils or helical excursion of the magnetic axis resulting from instability. We have found modular coils that are only moderately twisted and produce robust flux surfaces that do not deteriorate when changes are made in the magnetic field. This work is bolstered by recent stellarator experiments that have exceeded stability limits predicted by linear theory. The problem may be that force balance and stability are lost across islands if the equilibrium equations are not in conservation form. C1 NYU, Courant Inst Math Sci, New York, NY 10012 USA. Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Garabedian, PR (reprint author), NYU, Courant Inst Math Sci, 251 Mercer St, New York, NY 10012 USA. EM garabedian@cims.nyu.edu; lpku@pppl.gov NR 8 TC 12 Z9 12 U1 0 U2 1 PU AMER NUCLEAR SOCIETY PI LA GRANGE PK PA 555 N KENSINGTON AVENUE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD APR PY 2005 VL 47 IS 3 BP 400 EP 405 PG 6 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 911CF UT WOS:000227978200017 ER PT J AU Lyon, JF Ku, LP Garabedian, P El-Guebaly, L Bromberg, L AF Lyon, JF Ku, LP Garabedian, P El-Guebaly, L Bromberg, L CA ARIES Team TI Optimization of stellarator reactor parameters SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 17th Topical Meeting on the Technology of Fusion Energy CY SEP 14-16, 2004 CL Madison, WI AB Four quasi-axisymmetric compact stellarator plasma and coil configurations are analyzed for their potential as reactors. A 0-D (volume-average) approach for optimizing the main reactor parameters allows study of the relationship between global parameters and the compatibility of different constraints for a given power output including plasma-coil spacing, coil-coil spacing, maximum field and coil current density, neutron wall loading, plasma beta value, etc. The result is reactor candidates with average major radii < R > in the 6-7 m range, a factor of two smaller than those of previous studies. A 1-D power balance code is used to study the ignited operating point and the effect of different plasma and confinement assumptions including density and temperature profiles, alpha particle losses, and helium particle confinement time for the different plasma and coil configurations. C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. NYU, New York, NY USA. Univ Wisconsin, Madison, WI 53706 USA. MIT, Cambridge, MA 02139 USA. RP Lyon, JF (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM lyonjf@ornl.gov; lpku@pppl.gov; garabedian@cims.nyu.edu; elguebaly@engr.wisc.edu; brom@psfc.mit.edu NR 13 TC 3 Z9 3 U1 0 U2 1 PU AMER NUCLEAR SOCIETY PI LA GRANGE PK PA 555 N KENSINGTON AVENUE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD APR PY 2005 VL 47 IS 3 BP 414 EP 421 PG 8 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 911CF UT WOS:000227978200019 ER PT J AU El-Guebaly, L Raffray, R Malang, S Lyon, JF Ku, LP AF El-Guebaly, L Raffray, R Malang, S Lyon, JF Ku, LP CA ARIES Team TI Benefits of radial build minimization and requirements imposed on ARIES compact stellarator design SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 17th Topical Meeting on the Technology of Fusion Energy CY SEP 14-16, 2004 CL Madison, WI AB it is widely recognized among stellarator researchers that the minimum distance between the plasma boundary and the middle of the coil (Delta(min)) is of great importance for stellarators as it impacts the machine parameters considerably. Techniques for minimizing the radial build have made impressive progress during the first year of the ARIES-CS study. A novel approach has been developed for ARIES-CS where the blanket at the critical area surrounding Ami,, has been replaced by a highly efficient WC-based shield. As a result, an appreciable 20-90 cm savings in the radial build has been achieved, reducing the major radius by more than 20%, which is significant. The economic benefit of this approach is yet to be determined and the added engineering problems and complexity will be addressed during the remaining period of the study. This paper covers the details of the radial build optimization process that contributed to the compactness of ARIES-CS. Compared with previous designs, the major radius of ARIES-CS has more than halved, dropping from 24 m to less than 10 m, making a step forward toward the feasibility of a compact stellarator power plant. C1 Univ Wisconsin, Fus Technol Inst, Madison, WI 53706 USA. Univ Calif San Diego, La Jolla, CA 92093 USA. Oak Ridge Natl Lab, Oak Ridge, TN USA. Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP El-Guebaly, L (reprint author), Univ Wisconsin, Fus Technol Inst, Madison, WI 53706 USA. EM elguebaly@engr.wisc.edu; raffray@fusion.ucsd.edu; smalang@web.de; lyonif@ornl.gov; lpku@pppl.gov NR 7 TC 7 Z9 7 U1 0 U2 1 PU AMER NUCLEAR SOCIETY PI LA GRANGE PK PA 555 N KENSINGTON AVENUE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD APR PY 2005 VL 47 IS 3 BP 432 EP 439 PG 8 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 911CF UT WOS:000227978200021 ER PT J AU Zhao, HH Fukuda, G Abbott, RP Peterson, PF AF Zhao, HH Fukuda, G Abbott, RP Peterson, PF TI Optimized helium-Brayton power conversion for fusion energy systems SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 17th Topical Meeting on the Technology of Fusion Energy CY SEP 14-16, 2004 CL Madison, WI AB This paper presents an overview and a few point designs for multiple-reheat helium Brayton cycle power conversion systems using molten salts (or liquid metals or direct helium cooling). All designs are derived from the General Atomics GT-MHR power conversion unit (PCU). The important role of compact, offset fin heat exchangers for heat transfer to the power cycle helium, and the potential for these to be fabricated from carbon-coated composite materials that would have lower potential for fouling, are discussed. Specific links are made to the ITER TBM and laser IFE blanket design, and to ZPinch/HIF thick-liquid IFE. C1 Univ Calif Berkeley, Berkeley, CA 94720 USA. Lawrence Livermore Natl Lab, Livermore, CA USA. RP Zhao, HH (reprint author), Univ Calif Berkeley, Berkeley, CA 94720 USA. EM zhaohh@berkeley.edu RI Zhao, Haihua/A-8852-2009 NR 5 TC 4 Z9 4 U1 0 U2 2 PU AMER NUCLEAR SOCIETY PI LA GRANGE PK PA 555 N KENSINGTON AVENUE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD APR PY 2005 VL 47 IS 3 BP 460 EP 466 PG 7 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 911CF UT WOS:000227978200026 ER PT J AU Wong, CPC Malang, S Sawan, M Smolentsev, S Majumdar, S Merrill, B Sze, DK Morley, N Sharafat, S Dagher, M Peterson, P Zhao, H Zinkle, SJ Abdou, M Youssef, M AF Wong, CPC Malang, S Sawan, M Smolentsev, S Majumdar, S Merrill, B Sze, DK Morley, N Sharafat, S Dagher, M Peterson, P Zhao, H Zinkle, SJ Abdou, M Youssef, M TI Assessment of first wall and blanket options with the use of liquid breeder SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 17th Topical Meeting on the Technology of Fusion Energy CY SEP 14-16, 2004 CL Madison, WI AB As candidate blanket concepts for a U.S. advanced reactor power plant design, with consideration of the time frame for ITER development, we assessed first wall and blanket design concepts based on the use of reduced activation ferritic steel as structural material and liquid breeder as the coolant and tritium breeder. The liquid breeder choice includes the conventional molten salt Li2BeF4 and the low melting point molten salts such as LiBeF3 and LiNaBeF4 (FLiNaBe). Both self-cooled and dual coolant molten salt options were evaluated. We have also included the dual coolant lead-eutectic Pb-17Li design in our assessment. We take advantage of the molten salt low electrical and thermal conductivity to minimize impacts from the MHD effect and the heat losses from the breeder to the actively cooled steel structure. For the Pb-17Li breeder we employ flow channel inserts of SiCf/SiC composite with low electrical and thermal conductivity to perform respective insulation functions. We performed preliminary assessments of these design options in the areas of neutronics, thermal-hydraulics, safety, and power conversion system. Status of the RAD items of selected high performance blanket concepts is reported. Results from this study will form the technical basis for the formulation of the U.S. ITER test module program and corresponding test plan. C1 Gen Atom Co, San Diego, CA 92186 USA. Fus Nucl Technol Consulting, Linkenheim, Germany. Univ Wisconsin, Madison, WI USA. Univ Calif Los Angeles, Los Angeles, CA USA. Argonne Natl Lab, Argonne, IL 60439 USA. INEEL, Idaho Falls, ID USA. Univ Calif San Diego, San Diego, CA 92103 USA. Univ Calif Berkeley, Berkeley, CA 94720 USA. Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Wong, CPC (reprint author), Gen Atom Co, POB 85608, San Diego, CA 92186 USA. EM Clement.Wong@gat.com RI Zhao, Haihua/A-8852-2009; OI Zinkle, Steven/0000-0003-2890-6915 NR 18 TC 19 Z9 19 U1 1 U2 4 PU AMER NUCLEAR SOCIETY PI LA GRANGE PK PA 555 N KENSINGTON AVENUE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD APR PY 2005 VL 47 IS 3 BP 502 EP 509 PG 8 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 911CF UT WOS:000227978200030 ER PT J AU Nygren, RE AF Nygren, RE TI Thermal modeling of the Sandia flinabe (LiF-BeF2-NaF) experiments SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 17th Topical Meeting on the Technology of Fusion Energy CY SEP 14-16, 2004 CL Madison, WI AB Investigations of designs with a flowing free-surface molten salt as a first wall in the Advanced Power Extraction (APEX) Program led to questions concerning the liquidus temperature and solidification processes for the [1:1:1] composition in the LiF, BeF2 and NaF system. Sandia experiments, reported in this conference[1], showed a liquidus temperature near 425 degrees C for the [1:1:1] composition. We also identified other compositions that showed congruent (eutectic) solidification and had sufficiently low melting temperatures (similar to 305-320 degrees C) to be useful in this application. Further characterization of these materials is necessary to evaluate their potential. This paper summarizes a 3-D finite element analysis of the experiment that evaluates thermal gradients in the salt pool and crucible, reproduces the "thermal plateau" associated with the isothermal freezing of a eutectic, and compares the calculated temperatures with readings from the three thermocouples in the experiment. C1 Sandia Natl Labs, Albuquerque, NM 87105 USA. RP Nygren, RE (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87105 USA. NR 6 TC 5 Z9 5 U1 0 U2 2 PU AMER NUCLEAR SOCIETY PI LA GRANGE PK PA 555 N KENSINGTON AVENUE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD APR PY 2005 VL 47 IS 3 BP 549 EP 553 PG 5 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 911CF UT WOS:000227978200038 ER PT J AU McDonald, JM Nygren, RE Lutz, TJ Tanaka, TJ Ulrickson, MA Boyle, TJ Troncosa, KP AF McDonald, JM Nygren, RE Lutz, TJ Tanaka, TJ Ulrickson, MA Boyle, TJ Troncosa, KP TI Measurement of the melting point temperature of several lithium-sodium-beryllium fluoride salt (flinabe) mixtures SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 17th Topical Meeting on the Technology of Fusion Energy CY SEP 14-16, 2004 CL Madison, WI AB The molten salt Flibe, a combination of lithium and beryllium fluorides studied for molten salt fission reactors, has been proposed as a breeder and coolant for fusion applications. The melting points of 2LiF-BeF2 and LiF-BeF2 are 460 degrees C and 363 degrees C, but LiF-BeF2 is rather viscous and has less lithium for breeding. In the Advanced Power Extraction (APEA) Program, concepts with a free flowing liquid for the first wall and blanket were investigated. Flinabe (a mixture of LiF, BeF2 and NaF) was selected for a molten salt design because a melting temperature below 350 degrees C appeared possible and this provided an attractive operating temperature window for a reactor. To confirm that a ternary salt with a low melting temperature existed, several combinations of the fluoride salts, LiF, NaF and BeF2, were melted in a stainless steel crucible under vacuum. One had an apparent melting temperature of 305 degrees C. The test system, preparation of the mixtures, melting procedures and temperature curves for the melting and cooling are presented along with the apparent melting points. Thermal modeling of the salt pool and crucible is reported in an accompanying paper. C1 Sandia Natl Labs, Albuquerque, NM 87105 USA. RP McDonald, JM (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87105 USA. NR 6 TC 4 Z9 4 U1 0 U2 1 PU AMER NUCLEAR SOCIETY PI LA GRANGE PK PA 555 N KENSINGTON AVENUE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD APR PY 2005 VL 47 IS 3 BP 554 EP 558 PG 5 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 911CF UT WOS:000227978200039 ER PT J AU Bibeau, C Bayramian, AJ Armstrong, P Beach, RJ Campbell, R Ebbers, CA Freitas, BL Ladran, T Menapace, J Payne, SA Peterson, N Schaffers, KI Stolz, C Telford, S Tassano, JB Utterback, E AF Bibeau, C Bayramian, AJ Armstrong, P Beach, RJ Campbell, R Ebbers, CA Freitas, BL Ladran, T Menapace, J Payne, SA Peterson, N Schaffers, KI Stolz, C Telford, S Tassano, JB Utterback, E TI Full system operations of mercury: A diode pumped solid-state laser SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 17th Topical Meeting on the Technology of Fusion Energy CY SEP 14-16, 2004 CL Madison, WI AB Operation of the Mercury laser with two amplifiers has yielded 30 Joules at 1 Hz and 12 Joules at 10 Hz with over 8x10(4) shots on the system. Static distortions in the Yb:S-FAP amplifiers were corrected by a magnetorheological finishing technique. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Bibeau, C (reprint author), Lawrence Livermore Natl Lab, 7000 E Ave,L-482, Livermore, CA 94550 USA. EM bayramian1@llnl.gov NR 3 TC 4 Z9 4 U1 0 U2 3 PU AMER NUCLEAR SOCIETY PI LA GRANGE PK PA 555 N KENSINGTON AVENUE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD APR PY 2005 VL 47 IS 3 BP 581 EP 584 PG 4 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 911CF UT WOS:000227978200044 ER PT J AU Latkowski, JF Abbott, RP Schmitt, RC AF Latkowski, JF Abbott, RP Schmitt, RC TI Pulsed x-ray exposures and modeling for tungsten as an IFE first wall material SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 17th Topical Meeting on the Technology of Fusion Energy CY SEP 14-16, 2004 CL Madison, WI AB Dry-wall inertial fusion energy (IFE) power plants must survive repeated exposure to target threats that include x-rays, ions, and neutrons. While this exposure may lead to sputtering, exfoliation, transmutation, and swelling, more basic effects are thermomechanical in nature. In the present work, we use the newly developed RadHeat code to predict time-temperature profiles in a tungsten armor, which has been proposed for use in an IFE power plant. The XAPPER x-ray damage experiment is used to simulate thermal effects by operating at fluences that produce similar peak temperatures, temperature gradients, or thermomechanical stresses. Soft x-ray fluences in excess of 1 J/cm(2) are possible. Using RadHeat, we determine the XAPPER x-ray fluence needed to match expected peak surface temperatures. Such calculations are the first step in predicting the thermomechanical effects that are expected in an IFE system. Here, we report our findings and detail directions for future experiments and modeling. C1 Lawrence Livermore Natl Lab, Livermore, CA USA. Univ Calif Berkeley, Berkeley, CA 94720 USA. RP Latkowski, JF (reprint author), Lawrence Livermore Natl Lab, Livermore, CA USA. EM latkowski@llnl.gov NR 10 TC 1 Z9 1 U1 0 U2 1 PU AMER NUCLEAR SOCIETY PI LA GRANGE PK PA 555 N KENSINGTON AVENUE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD APR PY 2005 VL 47 IS 3 BP 591 EP 595 PG 5 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 911CF UT WOS:000227978200046 ER PT J AU Meier, WR AF Meier, WR TI Update on progress and current research in the development of heavy ion fusion SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 17th Topical Meeting on the Technology of Fusion Energy CY SEP 14-16, 2004 CL Madison, WI ID POINT DESIGN AB Since the completion of the Robust Point Design (RPD) for a heavy ion fusion power plant, progress has been made in addressing key issues and some possible new directions have emerged Work has continued on thick liquid wall chambers, which are particularly well suited to heavy ion fusion since they allow compact chambers minimizing the standoff for the final focus magnets and thus improving beam focusing on target. Work has continued on HIF indirect-drive targets in an attempt to allow larger spot sizes than the similar to 2 mm spots required by the baseline target in the RPD. 4 promising approach is the use of shine shields at both ends of the hohlraum, which allows beams to fill the entire 5-mm-radius target. This larger spot size target design opens the door to other driver and focusing schemes. Work has started exploring a modular driver approach in which many individual accelerators provide the total beam energy on target as opposed to the single accelerator with many (similar to 100) individual beamlets threading common induction cores. Neutralized drift compression and plasma channel focusing are being studied as a way to deliver these high current beams to target. We have also started investigating new chamber designs that would be compatible with this focusing scheme, in particular designs using a vortex flow configuration to establish the thick liquid wall. This paper highlights progress since the last Technology of fusion Energy (TOFE) Conference. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Meier, WR (reprint author), Lawrence Livermore Natl Lab, POB 808,L-641, Livermore, CA 94551 USA. EM Meier5@llnl.gov NR 17 TC 0 Z9 0 U1 0 U2 1 PU AMER NUCLEAR SOCIETY PI LA GRANGE PK PA 555 N KENSINGTON AVENUE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD APR PY 2005 VL 47 IS 3 BP 616 EP 620 PG 5 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 911CF UT WOS:000227978200050 ER PT J AU Yu, SS Barnard, JJ Briggs, RJ Callahan-Miller, D Chao, LL Davidson, R Debonnel, CS Eylon, S Friedman, A Henestroza, E Kaganovich, I Kwan, JW Lee, EP Leitner, M Logan, BG Meier, W Peterson, PF Reginato, L Rose, D Roy, P Waldron, W Welch, DR AF Yu, SS Barnard, JJ Briggs, RJ Callahan-Miller, D Chao, LL Davidson, R Debonnel, CS Eylon, S Friedman, A Henestroza, E Kaganovich, I Kwan, JW Lee, EP Leitner, M Logan, BG Meier, W Peterson, PF Reginato, L Rose, D Roy, P Waldron, W Welch, DR TI Towards a modular point design for heavy ion fusion SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 17th Topical Meeting on the Technology of Fusion Energy CY SEP 14-16, 2004 CL Madison, WI ID TRANSPORT AB We report on an ongoing study on modular Heavy Ion Fusion (HIF) drivers. The modular driver is characterized by similar to 20 nearly identical induction linacs, each carrying a single high current beam. In this scheme, one of the full size induction linacs can be tested as an "integrated Research Experiment' (IRE). Hence this approach offers significant advantages in terms of driver development path. For beam transport, these modules use solenoids, which are capable of carrying high line charge densities, even at low energies. A new injector concept allows compression of the beam to high line densities right after the source. The final drift compression is performed in a plasma in which the large repulsive space charge effects are neutralized. Finally, the beam is transversely compressed onto the target, using either external solenoids or current-carrying channels (in the assisted pinch mode of beam propagation). We report on progress towards a self-consistent point design from injector to target. Considerations of driver architecture, chamber environment as well as the methodology for meeting target requirements of spot size, pulse shape and symmetry are also described Finally, some near-term experiments to address the key scientific issues are discussed. C1 Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. Sci Applicat Int Corp, San Diego, CA 92121 USA. Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. Univ Calif Berkeley, Dept Nucl Engn, Berkeley, CA 94720 USA. ATK Miss Res, Albuquerque, NM 87110 USA. RP Yu, SS (reprint author), Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM ssyu@lbl.gov; barnard1@llnl.gov; richard.j.briggs@saic.com; ikaganov@pppl.gov; peterson@nuc.berkeley.edu NR 12 TC 1 Z9 1 U1 0 U2 2 PU AMER NUCLEAR SOCIETY PI LA GRANGE PK PA 555 N KENSINGTON AVENUE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD APR PY 2005 VL 47 IS 3 BP 621 EP 625 PG 5 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 911CF UT WOS:000227978200051 ER PT J AU Olson, C Rochau, G Slutz, S Morrow, C Olson, R Cuneo, M Hanson, D Bennett, G Sanford, T Bailey, J Stygar, W Vesey, R Mehlhorn, T Struve, K Mazarakis, M Savage, M Pointon, T Kiefer, M Rosenthal, S Cochrane, K Schneider, L Glover, S Reed, K Schroen, D Farnum, C Modesto, M Oscar, D Chhabildas, L Boyes, J Vigil, V Keith, R Turgeon, M Cipiti, B Lindgren, E Dandini, V Tran, H Smith, D McDaniel, D Quintenz, J Matzen, MK VanDevender, JP Gauster, W Shephard, L Walck, M Renk, T Tanaka, T Ulrickson, M Meier, W Latkowski, J Moir, R Schmitt, R Reyes, S Abbott, R Peterson, R Pollock, G Ottinger, P Schumer, J Peterson, P Kammer, D Kulcinski, G El-Guebaly, L Moses, G Sviatoslavsky, I Sawan, M Anderson, M Bonazza, R Oakley, J Meekunasombat, P De Groot, J Jensen, N Abdou, M Ying, A Calderoni, P Morey, N Abdel-Khalik, S Dillon, C Lasca, C Sadowski, D Curry, R McDonald, K Barkey, M Szaroletta, W Gallix, R Alexander, N Rickman, W Charman, C Shatoff, H Welch, D Rose, D Panchuk, P Louie, D Dean, S Kim, A Nedoseev, S Grabovsky, E Kingsep, A Smimov, V AF Olson, C Rochau, G Slutz, S Morrow, C Olson, R Cuneo, M Hanson, D Bennett, G Sanford, T Bailey, J Stygar, W Vesey, R Mehlhorn, T Struve, K Mazarakis, M Savage, M Pointon, T Kiefer, M Rosenthal, S Cochrane, K Schneider, L Glover, S Reed, K Schroen, D Farnum, C Modesto, M Oscar, D Chhabildas, L Boyes, J Vigil, V Keith, R Turgeon, M Cipiti, B Lindgren, E Dandini, V Tran, H Smith, D McDaniel, D Quintenz, J Matzen, MK VanDevender, JP Gauster, W Shephard, L Walck, M Renk, T Tanaka, T Ulrickson, M Meier, W Latkowski, J Moir, R Schmitt, R Reyes, S Abbott, R Peterson, R Pollock, G Ottinger, P Schumer, J Peterson, P Kammer, D Kulcinski, G El-Guebaly, L Moses, G Sviatoslavsky, I Sawan, M Anderson, M Bonazza, R Oakley, J Meekunasombat, P De Groot, J Jensen, N Abdou, M Ying, A Calderoni, P Morey, N Abdel-Khalik, S Dillon, C Lasca, C Sadowski, D Curry, R McDonald, K Barkey, M Szaroletta, W Gallix, R Alexander, N Rickman, W Charman, C Shatoff, H Welch, D Rose, D Panchuk, P Louie, D Dean, S Kim, A Nedoseev, S Grabovsky, E Kingsep, A Smimov, V TI Development path for Z-Pinch IFE SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 17th Topical Meeting on the Technology of Fusion Energy CY SEP 14-16, 2004 CL Madison, WI SP Amer Nucl Soc Fusion Energy Div, Amer Nucl Soc Wisconsin Local Sect, Atomic Energy Soc Japan Fusion Energy Div, US DOE, Univ Wisconsin Madison ID FUSION AB The long-range goal of the Z-Pinch IFE program is to produce an economically-attractive power plant using high-yield z-pinch-driven targets (similar to 3GJ) with low reprate per chamber (similar to 0.1 Hz). The present mainline choice for a Z-Pinch IFE power plant uses an LTD (Linear Transformer Driver) repetitive pulsed power driver, a Recyclable Transmission Line (RTL), a dynamic hohlraum z-pinch-driven target, and a thick-liquid wall chamber. The RTL connects the pulsed power driver directly to the z-pinch-driven target, and is made from frozen coolant or a material that is easily separable from the coolant (such as carbon steel). The RTL is destroyed by the fusion explosion, but the RTL materials are recycled, and a new RTL is inserted on each shot. A development path for Z-Pinch IFE has been created that complements and leverages the NNSA DP ICF program. Funding by a U.S. Congressional initiative of $4M for FY04 through NNSA DP is supporting assessment and initial research on (1) RTLs, (2) repetitive pulsed power drivers, (3) shock mitigation [because of the high yield targets], (4) planning for a proof-of-principle full RTL cycle demonstration [with a 1 MA, 1 MV, 100 ns, 0.1 Hz driver], (5) IFE target studies for multi-GJ yield targets, and (6) z-pinch IFE power plant engineering and technology development. Initial results from all areas of this research are discussed. C1 Sandia Natl Labs, Albuquerque, NM 87107 USA. Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. Los Alamos Natl Labs, Los Alamos, NM 87545 USA. USN, Res Lab, Washington, DC 20375 USA. Univ Calif Berkeley, Berkeley, CA 94720 USA. Univ Wisconsin, Madison, WI 53706 USA. Univ Calif Davis, Davis, CA 95616 USA. Univ Calif Los Angeles, Los Angeles, CA 90095 USA. Georgia Inst Technol, Atlanta, GA 30332 USA. Univ Missouri, Columbia, MO 65211 USA. Univ Alabama, Tuscaloosa, AL 35487 USA. Univ New Mexico, Albuquerque, NM 87106 USA. Gen Atom, San Diego, CA 92121 USA. ATK Mission Res, Albuquerque, NM 87110 USA. EG&G, Albuquerque, NM 87107 USA. Omicron, Albuquerque, NM 87110 USA. Fus Power Associates, Gaithersburg, MD 20879 USA. Inst High Current Elect, Tomsk, Russia. Kurchatov Inst, Moscow, Russia. RP Olson, C (reprint author), Sandia Natl Labs, Albuquerque, NM 87107 USA. EM clolson@sandia.gov RI Schumer, Joseph/D-7591-2013; OI Calderoni, Pattrick/0000-0002-2316-6404 NR 44 TC 36 Z9 36 U1 0 U2 6 PU AMER NUCLEAR SOCIETY PI LA GRANGE PK PA 555 N KENSINGTON AVENUE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD APR PY 2005 VL 47 IS 3 BP 633 EP 640 PG 8 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 911CF UT WOS:000227978200053 ER PT J AU Rochau, GE AF Rochau, GE CA Z-Pinch Power Plant Team TI Progress toward development of an IFE power plant using Z-Pinch technology SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 17th Topical Meeting on the Technology of Fusion Energy CY SEP 14-16, 2004 CL Madison, WI AB The Z-Pinch Power Plant uses the results from Sandia National Laboratories' Z accelerator in a power plant application to generate energy pulses using inertial confinement fusion. A collaborative project has been initiated by Sandia to investigate the scientific principles of a power generation system using this technology. Research is under way to develop an integrated concept that describes the operational issues of a 1000 AM electrical power plant. Issues under consideration include: 1-20 gigajoule fusion pulse containment, repetitive mechanical connection of heavy hardware, generation of terawatt pulses every 10 seconds, recycling of ten thousand tons of steel, and manufacturing of millions of hohlraums and capsules per year. Additionally, waste generation and disposal issues are being examined. This paper describes the current concept for the plant and also the objectives for future research. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Rochau, GE (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM gerocha@sandia.gov NR 8 TC 3 Z9 3 U1 0 U2 1 PU AMER NUCLEAR SOCIETY PI LA GRANGE PK PA 555 N KENSINGTON AVENUE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD APR PY 2005 VL 47 IS 3 BP 641 EP 644 PG 4 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 911CF UT WOS:000227978200054 ER PT J AU Cipiti, BB Rochau, GE AF Cipiti, BB Rochau, GE TI Manufacturing concepts for an IFE power plant using Z-Pinch technology SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 17th Topical Meeting on the Technology of Fusion Energy CY SEP 14-16, 2004 CL Madison, WI AB The Z-Pinch Power Plant (ZP3) uses the results from Sandia National Laboratories' Z accelerator in a power plant application to generate energy pulses using inertial confinement fusion. A collaborative project has been initiated by Sandia to investigate the scientific principles of a power generation system. Research is underway to investigate the use of recyclable transmission lines to directly connect the wire array and the hohlraum to the pulsed power driver. The resulting power plant will require an intense on-site manufacturing system to rebuild the transmission lines, wire arrays and hohlraums at a rate of 0.1 Hz per power unit. By recycling virtually all of the materials, the system is expected to be economically competitive with other power generation technologies. Current research is investigating the available approaches to manufacturing and determining the cost effectiveness of the alternatives. This paper examines the various options available for manufacturing and development requirements leading to a Proof-of-Principle experiment to demonstrate the technology. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Cipiti, BB (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM bbcipit@sandia.gov NR 6 TC 2 Z9 2 U1 0 U2 1 PU AMER NUCLEAR SOCIETY PI LA GRANGE PK PA 555 N KENSINGTON AVENUE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD APR PY 2005 VL 47 IS 3 BP 645 EP 649 PG 5 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 911CF UT WOS:000227978200055 ER PT J AU Modesto, MA Lindgren, ER Morrow, CW AF Modesto, MA Lindgren, ER Morrow, CW TI Thermal analysis of the Z-Pinch power plant concept SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 17th Topical Meeting on the Technology of Fusion Energy CY SEP 14-16, 2004 CL Madison, WI AB In this work, a preliminary thermal model for the Z-Pinch Power Plant is presented. This power plant utilizes fusion energy to generate electric energy in the GW range. The Z-Pinch Technology consists of compressing high-density plasma to produce X-rays to indirectly heat to ignition a deuterium/tritium fusion capsule. This ignition releases a minimum of 3 GJ every 10 seconds. The thermal energy generated is absorbed by the primary cycle fluid, and it is later used to power a Brayton or Rankine cycle. An advanced heat exchanger is used as the interface between the two cycles. This heat exchanger plays an important role in power plant performance. Three fluids (Flibe, Pb-17Li, and Li) were used for the plant performance analysis. The thermodynamic properties of the selected fluids determine the maximum operating temperature of the power cycles. Model results show that high temperatures (over 1000 degrees C) are developed in the primary cycle as needed to efficiently run the secondary cycle. The results of the performance parametric study demonstrated that the Brayton cycle exhibits better performance characteristics than the Rankine cycle for this type of application. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Modesto, MA (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM mamodes@sandia.gov NR 6 TC 0 Z9 0 U1 0 U2 1 PU AMER NUCLEAR SOCIETY PI LA GRANGE PK PA 555 N KENSINGTON AVENUE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD APR PY 2005 VL 47 IS 3 BP 650 EP 655 PG 6 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 911CF UT WOS:000227978200056 ER PT J AU Rodriguez, SB Dandini, VJ Vigil, VL Turgeon, M AF Rodriguez, SB Dandini, VJ Vigil, VL Turgeon, M TI Z-Pinch power plant shock mitigation experiments, modeling, and code assessment SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 17th Topical Meeting on the Technology of Fusion Energy CY SEP 14-16, 2004 CL Madison, WI AB We are investigating attenuation techniques to mitigate the powerful shock that occurs inside the Z-Pinch Power Plant. For this purpose, we conducted a series of experiments at the University of Wisconsin. These experiments consisted of shock waves traveling at greater than Ma 1 that impacted aluminum foam under various configurations. In turn, ABAQUS, ALEGRA, CTH, and DYNA3D were used to simulate one of the experiments in order to validate the codes. Although the behavior of foamed solid and liquid metal is fundamentally dijferent, we considered foamed metal because some disposable components of the ZP-3 (i.e. the RTL) may be designed with metal foam. In addition, the relatively simple experiments should help us determine which codes can better simulate shock waves. In the near future, we will conduct shock experiments using foamed materials such as water, oils, and other metals. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. Omicron, Albuquerque, NM 87199 USA. RP Rodriguez, SB (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM sbrodri@sandia.gov NR 8 TC 0 Z9 0 U1 0 U2 1 PU AMER NUCLEAR SOCIETY PI LA GRANGE PK PA 555 N KENSINGTON AVENUE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD APR PY 2005 VL 47 IS 3 BP 656 EP 661 PG 6 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 911CF UT WOS:000227978200057 ER PT J AU Brooks, JN Allain, JP Bastasz, R Doerner, R Evans, T Hassanein, A Kaita, R Luckhardt, S Maingi, R Majeski, R Morley, NB Narula, M Rognlien, T Ruzic, D Stubbers, R Ulrickson, M Wong, CPC Whyte, D Ying, A AF Brooks, JN Allain, JP Bastasz, R Doerner, R Evans, T Hassanein, A Kaita, R Luckhardt, S Maingi, R Majeski, R Morley, NB Narula, M Rognlien, T Ruzic, D Stubbers, R Ulrickson, M Wong, CPC Whyte, D Ying, A TI Overview of the ALPS program SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 17th Topical Meeting on the Technology of Fusion Energy CY SEP 14-16, 2004 CL Madison, WI ID LIQUID LITHIUM; DIII-D; SURFACE; EROSION; DIVERTOR; LIMITER AB The US Advanced Limiter-divertor Plasma-facing Systems (ALPS) program is developing the science of liquid metal surface divertors for near and long term tokamaks. These systems may help solve the demanding heat removal, particle removal, and erosion issues of fusion plasma/surface interactions. ALPS combines tokamak experiments, lab experiments, and modeling. We are designing both static and flowing liquid lithium divertors for the National Spherical Torus Experiment (NSTX) at Princeton. We are also studying tin, gallium, and tin-lithium systems. Results to date are extensive and generally encouraging, e.g., showing: 1) good tokamak performance with a liquid Li limiter, 2) high D pumping in Li and non-zero He/Li pumping, 3) well-characterized temperature-dependent liquid metal surface composition and sputter yield data, 4) predicted stable low-recycle improved-plasma NSTX-Li performance, 5) high temperature capability Sn or Ga potential with reduced ELM T disruption response concerns. In the MHD area, analysis predicts good NSTX static Li performance, with dynamic systems being evaluated. C1 Argonne Natl Lab, Argonne, IL 60439 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. Princeton Plasma Phys Lab, Princeton, NJ USA. Sandia Natl Labs, Livermore, CA 94550 USA. Univ Calif Los Angeles, Los Angeles, CA USA. Univ Calif San Diego, San Diego, CA 92103 USA. Univ Illinois, Urbana, IL 61801 USA. RP Brooks, JN (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM brooks@anl.gov OI Allain, Jean Paul/0000-0003-1348-262X NR 18 TC 27 Z9 27 U1 0 U2 6 PU AMER NUCLEAR SOCIETY PI LA GRANGE PK PA 555 N KENSINGTON AVENUE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD APR PY 2005 VL 47 IS 3 BP 669 EP 677 PG 9 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 911CF UT WOS:000227978200059 ER PT J AU Hassanein, A Allain, JP Insepov, Z Konkashbaev, I AF Hassanein, A Allain, JP Insepov, Z Konkashbaev, I TI Plasma/liquid-metal interactions during tokamak operation SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 17th Topical Meeting on the Technology of Fusion Energy CY SEP 14-16, 2004 CL Madison, WI SP Amer Nucl Soc Fusion Energy Div, Amer Nucl Soc Wisconsin Local Sect, Atomic Energy Soc Japan Fusion Energy Div, US DOE, Univ Wisconsin Madison ID PLASMA-FACING COMPONENTS; LIQUID LITHIUM; EROSION; INSTABILITIES; DISRUPTION; HYDROGEN; DIVERTOR; SURFACE; HE AB One of the critical technological challenges of future tokamak fusion devices is the ability for plasma-facing components to handle both normal and abnormal plasma/surface interaction events that compromise their lifetime and operation of the machine. Under normal operation plasma/surface interactions that are important include: sputtering, particle implantation and recycling, He pumping and ELM (edge localized modes)-induced erosion. In abnormal or off-normal operation: disruptions and vertical displacement events (VDEs) are important. To extend PFC lifetime under these conditions, liquid-metals have been considered as candidate PFCs (Plasma-Facing Components), including: liquid lithium, tin-lithium, gallium and tin. Liquid lithium has been measured to have nonlinear increase of physical sputtering with rise in temperature. Such increase can be a result of exposure to ELM-level particle fluxes. The significant increase in particle flux to the divertor and nearby PFCs can enhance sputtering erosion by an order of magnitude or more. In addition from the standpoint of hydrogen recycling and helium pumping liquid lithium appears to be a good candidate plasma-facing material (PFM). Advanced designs of first wall and divertor systems propose the application of liquid-metals as an alternate PFC to contend with high-heat flux constraints of large-scale tokamak devices. Additional issues include PFC operation under disruptions and long temporal instabilities such as VDEs. A comprehensive two-fluid model is developed to integrate core and SOL (scrape-off layer) parameters during ELMs with PFC surface evolution using the HEIGHTS package. Special emphasis is made on the application of lithium as a candidate Plasma-facing liquid-metal. C1 Argonne Natl Lab, Argonne, IL 60439 USA. RP Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM hassanein@anl.gov RI Insepov, Zinetula/L-2095-2013; OI Insepov, Zinetula/0000-0002-8079-6293; Allain, Jean Paul/0000-0003-1348-262X NR 31 TC 9 Z9 9 U1 0 U2 10 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 1536-1055 EI 1943-7641 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD APR PY 2005 VL 47 IS 3 BP 686 EP 697 PG 12 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 911CF UT WOS:000227978200061 ER PT J AU Rasmussen, DA Baylor, LR Combs, SK Fredd, E Goulding, RH Hosea, J Swain, DW AF Rasmussen, DA Baylor, LR Combs, SK Fredd, E Goulding, RH Hosea, J Swain, DW TI ITER ion cyclotron heating and fueling systems SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 17th Topical Meeting on the Technology of Fusion Energy CY SEP 14-16, 2004 CL Madison, WI ID HIGH-FIELD-SIDE; PELLET INJECTION TECHNOLOGY; JET; OPERATION; TOKAMAK; LAUNCH AB The ITER burning plasma and advanced operating regimes require robust and reliable heating and current drive and fueling systems. The ITER design documents [1, 2] describe the requirements and reference designs for the ion cyclotron and pellet fueling systems. Development and testing programs are required to optimize, validate and qualify these systems for installation on ITER. The ITER ion cyclotron system offers significant technology challenges. The antenna must operate in a nuclear environment and withstand heat loads and disruption forces beyond present-day designs. It must operate for long pulse lengths and be highly reliable, delivering power to a plasma load with properties that will change throughout the discharge. The ITER ion cyclotron system consists of one eight-strap antenna, eight rf sources (20 MW, 35-65 MHz), associated high-voltage DC power supplies, transmission lines and matching and decoupling components. The ITER fueling system consists of a gas injection system and multiple pellet injectors for edge fueling and deep core fueling. Pellet injection will be the primary ITER fuel delivery system. The fueling requirements will require significant extensions in pellet injector pulse length (similar to 3000 s), throughput (400 torr-L/s,) and reliability. The proposed design is based on a centrifuge accelerator fed by a continuous screw extruder. Inner wall pellet injection with the use of curved guide tubes will he utilized for deep fueling. C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Rasmussen, DA (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA. EM Rasmussenda@ornl.gov RI Goulding, Richard/C-5982-2016 OI Goulding, Richard/0000-0002-1776-7983 NR 18 TC 1 Z9 1 U1 0 U2 3 PU AMER NUCLEAR SOCIETY PI LA GRANGE PK PA 555 N KENSINGTON AVENUE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD APR PY 2005 VL 47 IS 3 BP 753 EP 757 PG 5 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 911CF UT WOS:000227978200072 ER PT J AU Akino, N Ebisawa, N Honda, A Ikeda, Y Kawai, M Kazawa, M Mogaki, K Ohga, T Umeda, N Usui, K Yamamoto, T Grisham, L AF Akino, N Ebisawa, N Honda, A Ikeda, Y Kawai, M Kazawa, M Mogaki, K Ohga, T Umeda, N Usui, K Yamamoto, T Grisham, L TI Long pulse operation of NBI systems for JT-60U SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 17th Topical Meeting on the Technology of Fusion Energy CY SEP 14-16, 2004 CL Madison, WI ID BEAM INJECTION SYSTEM AB In the neutral beam injection (NBI) system, an extension of the pulse duration up to 30 sec has been intended to study quasi-steady state plasma on JT-60U. The four positive-ion based (P-NBI) units, which tangentially inject neutral beam to plasma, were mainly modified on the electric power supplies and the beam limiters to extend the pulse duration up to 30 sec with 2 MW at 80 keV per each. The seven P-NBI units, each of which perpendicularly injects for 10 sec, were conducted to operate in series for the total pulse duration of 30 sec. The ion source of the negative-ion based (N-NBI) unit, whose target beam energy is 500 keV for 10 see, was also modified to reduce the heat load of the grid for long pulse operation. The reduction of the re-ionization of the neutral beam in the beam drift duct was a key to achieve a long pulse injection. It was found that the pressure rise in the beam drf duct, which gives the re-ionization rate, depended on the temperature of the re-ionization plates during NBI injection. Up to now, it was attained successfully that the pulse duration of the tangential P-NBI unit was extended up to 30 sec. 310 MJ of the total integrated injection energy into JT-60U plasma was achieved, including the negative-ion based NBI operation for 17 sec at 366 keV. C1 Japan Atom Energy Res Inst, Naka Fus Res Estab, Naka, Ibaraki 3110193, Japan. Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Akino, N (reprint author), Japan Atom Energy Res Inst, Naka Fus Res Estab, Naka, Ibaraki 3110193, Japan. EM akinon@fusion.naka.jaeri.go.jp NR 8 TC 7 Z9 7 U1 0 U2 1 PU AMER NUCLEAR SOCIETY PI LA GRANGE PK PA 555 N KENSINGTON AVENUE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD APR PY 2005 VL 47 IS 3 BP 758 EP 762 PG 5 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 911CF UT WOS:000227978200073 ER PT J AU Burruss, JR Abla, G Flanagan, S Keahey, K Leggett, T Ludesche, C McCune, D Papka, ME Peng, Q Randerson, L Schissel, DP AF Burruss, JR Abla, G Flanagan, S Keahey, K Leggett, T Ludesche, C McCune, D Papka, ME Peng, Q Randerson, L Schissel, DP TI Developments in remote collaboration and computation SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 17th Topical Meeting on the Technology of Fusion Energy CY SEP 14-16, 2004 CL Madison, WI AB The National Fusion Collaboratory (NFC) is creating and deploying collaborative software tools to unite magnetic fusion research in the United States. In particular, the NFC is developing and deploying a national FES "Grid" (FusionGrid) for secure sharing of computation, visualization, and data resources over the Internet. The goal of FusionGrid is to allow scientists at remote sites to participate as fully in experiments, machine design, and computational activities as if they were working on site thereby creating a unified virtual organization of the geographically dispersed U.S. fusion community. C1 Gen Atom Co, San Diego, CA 92186 USA. Argonne Natl Lab, Argonne, IL 60439 USA. Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Burruss, JR (reprint author), Gen Atom Co, POB 85608, San Diego, CA 92186 USA. EM burruss@fusion.gat.com NR 8 TC 0 Z9 0 U1 1 U2 2 PU AMER NUCLEAR SOCIETY PI LA GRANGE PK PA 555 N KENSINGTON AVENUE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD APR PY 2005 VL 47 IS 3 BP 814 EP 818 PG 5 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 911CF UT WOS:000227978200083 ER PT J AU Leangsuksun, CB Shen, LX Liu, T Scott, SL AF Leangsuksun, CB Shen, LX Liu, T Scott, SL TI Achieving high availability and performance computing with an HA-OSCAR cluster SO FUTURE GENERATION COMPUTER SYSTEMS LA English DT Article DE cluster computing; Petri net modeling; stochastic reward nets; high availability; dependability AB High availability (HA) computing has long gained much attention in enterprise and mission critical systems. HA goals are to maximize the uptime, thus undoubtedly complementing high-performance computing (HPC) objectives. HA-OSCAR is a project that aims to improve HA in commercial-off-the-shelf (COTS)-based HPC environments. In this paper, we introduce a multi-head HPC cluster architecture. Server redundancy is an initial key aspect aiming toward downtime reduction. Two HA-OSCAR types, active-standby and active-active, are studied. We evaluate system dependability for given two models. Stochastic Reward Nets (SRN) are used to model the system availability. We describe our SRN modeling using Stochastic Petri Net Package, and compute several interesting results that characterize HA-OSCAR availability. (c) 2004 Elsevier B.V. All rights reserved. C1 Louisiana Tech Univ, Comp Sci Program, Ruston, LA 71272 USA. Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. RP Leangsuksun, CB (reprint author), Louisiana Tech Univ, Comp Sci Program, Ruston, LA 71272 USA. EM box@latech.edu NR 13 TC 6 Z9 6 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 2005 VL 21 IS 4 BP 597 EP 606 DI 10.1016/j.future.2003.12.026 PG 10 WC Computer Science, Theory & Methods SC Computer Science GA 912UN UT WOS:000228105500014 ER PT J AU Antony, A Blom, J de Laat, C Lee, J AF Antony, A Blom, J de Laat, C Lee, J TI Exploring practical limitations of TCP over transatlantic networks SO FUTURE GENERATION COMPUTER SYSTEMS-THE INTERNATIONAL JOURNAL OF GRID COMPUTING AND ESCIENCE LA English DT Article DE TCP; TCP response behavior; HSTCP; grid networking AB Tomorrow's large physics and astronomy projects will require to transport tremendous amounts of data over long distances in near real time. Traditional TCP implementations have severe problems in reaching the necessary performance. In the recent past, researchers have shown that TCP implementations can be scaled to achieve multi-gigabit per second speeds over high-bandwidth high-delay networks. The ability of TCP to scale to high speeds opens possibilities for very large data transfers over vast distances. We analyze here whether TCP can fulfill this task and what problems we are faced with. We also examine TCP in the context of dedicated links (Lambdas). (c) 2004 Published by Elsevier B.V. C1 NIKHEF H, NL-1098 SJ Amsterdam, Netherlands. Univ Amsterdam, NL-1098 SJ Amsterdam, Netherlands. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Antony, A (reprint author), NIKHEF H, 409 Kruislaan, NL-1098 SJ Amsterdam, Netherlands. EM antony@nikhef.nl; jblom@science.uva.nl; delaat@science.uva.nl; JRLee@lbl.gov NR 9 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 EI 1872-7115 J9 FUTURE GENER COMP SY JI Futur. Gener. Comp. Syst. PD APR PY 2005 VL 21 IS 4 BP 489 EP 499 DI 10.1016/j.future.2004.10.004 PG 11 WC Computer Science, Theory & Methods SC Computer Science GA 912UN UT WOS:000228105500005 ER PT J AU Dahari, H Major, M Zhang, XN Mihalik, K Rice, CM Perelson, AS Feinstone, SM Neumann, AU AF Dahari, H Major, M Zhang, XN Mihalik, K Rice, CM Perelson, AS Feinstone, SM Neumann, AU TI Mathematical modeling of primary hepatitis C infection: Noncytolytic clearance and early blockage of virion production SO GASTROENTEROLOGY LA English DT Article ID B VIRUS-INFECTION; DYNAMICS IN-VIVO; CD8(+) T-CELLS; TERM-FOLLOW-UP; HCV-RNA LEVELS; VIRAL CLEARANCE; LIVER-TRANSPLANTATION; CHIMPANZEE SERA; PLUS RIBAVIRIN; KINETICS AB Background B Aims: Although hepatitis C virus kinetics and immune determinants during primary infection have been described, the virus-host interplay is not fully understood. We used mathematical modeling to elucidate and quantify virus-host dynamics. Methods: Ten chimpanzees were infected intrahepatically with H77-RNA (n = 3) or intravenously with infected serum. Blood samples were taken 1-3 times per week for 6 months. A new model was fitted to the observed HCV RNA and alanine aminotransferase (ALT) kinetics. Results: After infection, viral levels increased in a biphasic manner with a transient decline in between. This can be explained by a partial block (mean, 91%) of virion production, possibly due to an endogenous type I interferon response. After reaching maximum levels, a long viral plateau (mean, 6A log cp/mL) can be explained by blind homeostasis and lack of susceptible cells. Modest elevations in ALT levels (21-93 IU/L) were concurrently observed, indicating a shorter half-life of infected versus noninfected hepatocytes (mean ratio, 2.6). Following the ALT flare, viral titers rapidly declined to a lower (mean, 4.5 log cp/mL; n = 6) or undetectable level (n = 4). This decline is compatible with increased cell death (mean minimal estimate half-life, 28.7 days) and non-cytolytic clearance (mean maximal estimate half-life, 24.1 days) of infected cells. Conclusions: Our results quantify virus-host dynamics during primary HCV infection and suggest that endogenous type I interferon slows virus production in the early acute phase. Partial or effective virus control correlates with the half-life of infected cells regulated by both cytolytic and noncytolytic mechanisms. C1 Bar Ilan Univ, Fac Life Sci, IL-52900 Ramat Gan, Israel. Santa Fe Inst, Santa Fe, NM 87501 USA. US FDA, Ctr Biol Evaluat & Res, Lab Hepatitis Viruses, Bethesda, MD 20014 USA. Rockefeller Univ, Ctr Study Hepatitis C, Lab Virol & Infect Dis, New York, NY 10021 USA. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM USA. RP Neumann, AU (reprint author), Bar Ilan Univ, Fac Life Sci, IL-52900 Ramat Gan, Israel. EM neumann@mail.biu.ac.il FU NCI NIH HHS [CA85833]; NCRR NIH HHS [RR06555] NR 48 TC 56 Z9 57 U1 0 U2 2 PU W B SAUNDERS CO PI PHILADELPHIA PA INDEPENDENCE SQUARE WEST CURTIS CENTER, STE 300, PHILADELPHIA, PA 19106-3399 USA SN 0016-5085 J9 GASTROENTEROLOGY JI Gastroenterology PD APR PY 2005 VL 128 IS 4 BP 1056 EP 1066 DI 10.1053/j.gastro.2005.01.049 PG 11 WC Gastroenterology & Hepatology SC Gastroenterology & Hepatology GA 914SS UT WOS:000228248600028 PM 15825086 ER PT J AU Lowenstein, TK Timofeeff, MN Kovalevych, VM Horita, J AF Lowenstein, TK Timofeeff, MN Kovalevych, VM Horita, J TI The major-ion composition of Permian seawater SO GEOCHIMICA ET COSMOCHIMICA ACTA LA English DT Article ID PALO-DURO BASIN; SOUTHEASTERN NEW-MEXICO; FLUID INCLUSIONS; SECULAR VARIATION; SALADO FORMATION; SEA-WATER; MARINE; HALITE; EVAPORITES; CHEMISTRY AB The major-ion (Mg2+, Ca2+, Na+, K+, SO42-, and Cl-) composition of Permian seawater was determined from chemical analyses of fluid inclusions in marine halites. New data from the Upper Permian San Andres Formation of Texas (274-272 Ma) and Salado Formation of New Mexico (251 Ma), analyzed by the environmental scanning electron microscopy (ESEM) X-ray energy-dispersive spectrometry (EDS) method, along with published chemical compositions of fluid inclusions in Permian marine halites from North America (two formations of different ages) and the Central and Eastern European basins (eight formations of four different ages) show that Permian seawater shares chemical characteristics with modem seawater, including SO42- > Ca2+ at the point of gypsum precipitation, evolution into Mg2+-Na+-K+SO42--Cl- brines, and Mg2+/K+ ratios similar to 5. Permian seawater, however, is slightly depleted in SO42- and enriched in Ca2+, although modeling results do not rule out Ca2+ concentrations close to those in present-day seawater. Na+ and Mg2+ in Permian seawater are close to (slightly below) their concentrations in modem seawater. Permian and modem seawater are both classified as aragonite seas, with Mg2+/Ca2+ ratios > 2, conditions favorable for precipitation of aragonite and magnesian calcite as ooids and cements. The chemistry of Permian seawater was modeled using the chemical composition of brine inclusions for three periods: Lower Permian Asselian-Sakmarian (296-283 Ma), Lower Permian Artinskian-Kungurian (283-274 Ma), and Upper Permian Tatarian (258-251 Ma). Parallel changes in the chemistry of brine inclusions from equivalent age evaporites in North America, Central Europe, and Eastern Europe show that seawater underwent secular variations in chemistry over the 50 million years of the Permian. Modeled SO42- concentrations are 20 mmol per kg H2O (mmolal) and 19 mmolal in the Asselian-Sakmarian and Artinskian-Kungurian, with higher concentrations in the Upper Permian Tatarian (23 mmolal). Modeled Ca2+ is at or above its concentration in modem seawater throughout the Permian. Mg2+ is close to (slightly below) its concentration in modem seawater (55 mmolal) in the Asselian-Sakmarian (52 mmolal), and Tatarian (52 mmolal), but slightly higher than modem seawater in the Artinskian-Kungurian (60 mmolal). Mg2+/Ca2+ ratios are 3.5 (total range = 2.7 to 5.5) in the Lower Permian and rose slightly to 3.7 (total range = 3.1 to 5.8) in the Upper Permian, primarily due to decreases in Ca2+. These results are consistent with models that predict oscillations in the major-ion composition of Phanerozoic seawater on the basis of changes in the midocean ridge/river water flux ratio driven by changes in the rate of midocean ridge crust production. The Permian was characterized by low sea levels, icehouse conditions, and southern hemisphere glaciation. Such conditions, analogous to the present ice age, and the similarities between Permian seawater and modem seawater, all suggest that general Phanerozoic supercycles, driven by mantle convection and global volcanicity, also control the major-ion chemistry of seawater. Copyright (c) 2005 Elsevier Ltd. C1 SUNY Binghamton, Dept Geol Sci & Environm Studies, Binghamton, NY 13902 USA. Natl Acad Sci Ukraine, Inst Geol & Geochem Combustible Minerals, UA-79053 Lvov, Ukraine. Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Lowenstein, TK (reprint author), SUNY Binghamton, Dept Geol Sci & Environm Studies, Binghamton, NY 13902 USA. EM lowenst@binghamton.edu NR 65 TC 53 Z9 63 U1 1 U2 18 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 1 PY 2005 VL 69 IS 7 BP 1701 EP 1719 DI 10.1016/j.gca.2004.09.015 PG 19 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 916EC UT WOS:000228367200005 ER PT J AU Cooper, DC Neal, AL Kukkadapu, RK Brewe, D Coby, A Picardal, FW AF Cooper, DC Neal, AL Kukkadapu, RK Brewe, D Coby, A Picardal, FW TI Effects of sediment iron mineral composition on microbially mediated changes in divalent metal speciation: Importance of ferrihydrite SO GEOCHIMICA ET COSMOCHIMICA ACTA LA English DT Article ID FINE-STRUCTURE SPECTROSCOPY; AQUEOUS ZN(II) SORPTION; RAY-ABSORPTION SPECTRA; REDUCING BACTERIUM; CLAY-MINERALS; SHEWANELLA-PUTREFACIENS; SURFACE PRECIPITATION; DISSIMILATORY FE(III); REDUCTIVE DISSOLUTION; STRUCTURAL FE(III) AB Dissimilatory metal reducing bacteria (DMRB) can influence geochemical processes that affect the speciation and mobility of metallic contaminants within natural environments. Most investigations into the effect of DMRB on sediment geochemistry utilize various synthetic oxides as the Fe-III source (e.g., ferrihydrite, goethite, hematite). These synthetic materials do not represent the mineralogical composition of natural systems, and do not account for the effect of sediment mineral composition on microbially mediated processes. Our experiments with a DMRB (Shewanella putrefaciens 200) and a divalent metal (Zn-II) indicate that, while complexity in sediment mineral composition may not strongly impact the degree of "microbial iron reducibility," it does alter the geochemical consequences of such microbial activity. The ferrihydrite and clay mineral content are key factors. Microbial reduction of a synthetic blend of goethite and ferrihydrite (VHSA-G) carrying previously adsorbed Zn-II increased both [Zn-II-aq] and the proportion of adsorbed Zn-II that is insoluble in 0.5 M HCl. Microbial reduction of Fe-III in similarly treated iron-bearing clayey sediment (Fe-K-Q) and hematite sand, which contained minimal amounts of ferrihydrite, had no similar effect. Addition of ferrihydrite increased the effect of microbial Fe-III reduction on Zn-II association with a 0.5 M HCl insoluble phase in all sediment treatments, but the effect was inconsequential in the Fe-K-Q. Zinc k-edge X-ray absorption spectroscopy (XAS) data indicate that microbial Fe-III reduction altered Zn-II bonding in fundamentally different ways for VHSA-G and Fe-K-Q. In VHSA-G, ZnO6 octahedra were present in both sterile and reduced samples; with a slightly increased average Zn-O coordination number and a slightly higher degree of long-range order in the reduced sample. This result may be consistent with enhanced Zn-II substitution within goethite in the microbially reduced sample, though these data do not show the large increase in the degree of Zn-O-metal interactions expected to accompany this change. In Fe-K-Q, microbial Fell, reduction transforms Zn-O polyhedra from octahedral to tetrahedral coordination and leads to the formation of a ZnCl2 moiety and an increased degree of multiple scattering. This study indicates that, while many sedimentary iron minerals are easily reduced by DMRB, the effects of microbial Fe-III reduction on trace metal geochemistry are dependent on sediment mineral composition. Copyright (c) 2005 Elsevier Ltd. C1 Idaho Natl Lab, Geosci Res, Idaho Falls, ID 83415 USA. Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. Environm Mol Sci Lab, Richland, WA 99352 USA. Argonne Natl Lab, Argonne, IL 60439 USA. Indiana Univ, Sch Publ & Environm Affairs, Bloomington, IN 47405 USA. RP Cooper, DC (reprint author), Idaho Natl Lab, Geosci Res, POB 1625,MS 2107, Idaho Falls, ID 83415 USA. EM craig.cooper@inl.gov RI Neal, Andrew/C-7596-2011 NR 70 TC 25 Z9 26 U1 1 U2 19 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 1 PY 2005 VL 69 IS 7 BP 1739 EP 1754 DI 10.1016/j.gca.2004.09.013 PG 16 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 916EC UT WOS:000228367200007 ER PT J AU Bischoff, JL Wooden, J Murphy, F Williams, RW AF Bischoff, JL Wooden, J Murphy, F Williams, RW TI U/Th dating by SHRIMP RG ion-microprobe mass spectrometry using single ion-exchange beads SO GEOCHIMICA ET COSMOCHIMICA ACTA LA English DT Article ID VOLCANIC-ROCKS; URANIUM; TH-230/TH-232; CALDERA; ZIRCONS; RATIOS AB We present a new analytical method for U-series isotopes using the SHRIMP RG (Sensitive High mass Resolution Ion MicroProbe) mass spectrometer that utilizes the preconcentration of the U-series isotopes from a sample onto a single ion-exchange bead. Ion-microprobe mass spectrometry is capable of producing Th ionization efficiencies in excess of 2%. Analytical precision is typically better than alpha spectroscopy, but not as good as thermal ionization mass spectroscopy (TIMS) and inductively coupled plasma multicollector mass spectrometry (ICP-MS). Like TIMS and ICP-MS the method allows analysis of small samples sizes, but also adds the advantage of rapidity of analysis. A major advantage of ion-microprobe analysis is that U and Th isotopes are analyzed in the same bead, simplifying the process of chemical separation. Analytical time on the instrument is similar to 60 min per sample, and a single instrument-loading can accommodate 15-20 samples to be analyzed in a 24-h day. An additional advantage is that the method allows multiple reanalyses of the same bead and that samples can be archived for reanalysis at a later time. Because the ion beam excavates a pit only a few mu m deep, the mount can later be repolished and reanalyzed numerous times. The method described of preconcentrating a low concentration sample onto a small conductive substrate to allow ion-microprobe mass spectrometry is potentially applicable to many other systems. Copyright (c) 2005 Elsevier Ltd. C1 US Geol Survey, Menlo Pk, CA 94025 USA. Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Bischoff, JL (reprint author), US Geol Survey, 345 Middlefield Rd, Menlo Pk, CA 94025 USA. EM jbischoff@usgs.gov NR 16 TC 6 Z9 6 U1 0 U2 4 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 1 PY 2005 VL 69 IS 7 BP 1841 EP 1846 DI 10.1016/j.gca.2004.09.017 PG 6 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 916EC UT WOS:000228367200014 ER PT J AU Saito, H Yoshino, K Ishida, T Nagano, T Sirichuaychoo, W Jongskul, A Haraguchi, N AF Saito, H Yoshino, K Ishida, T Nagano, T Sirichuaychoo, W Jongskul, A Haraguchi, N TI Geostatistical estimation of tropical peat-soil volume at Bacho, Thailand: impact of spatial support size and censored information SO GEODERMA LA English DT Article DE indicator kriging; cumulative distribution function; E-type estimate; change of support; organic carbon ID CARBON AB The peat-soil volume at the Bacho site in Thailand was estimated using indicator geostatistics. The original peat layer thickness data include two types of censored observations: the physical and measurement limits. To avoid assigning values arbitrarily to them, the indicator approach was used, in which all observations are transformed into either 0 or I depending upon the exceedence of any given threshold. In this study, peat-soil thickness values are estimated using blocks with different sizes (i.e., change of support). Indicator kriging is applied to construct conditional cumulative distribution functions (ccdf) defines peat layer thickness at centers of estimation blocks. From the point ccdf obtained, an optimal estimate of peat layer thickness at each block is obtained by taking the mean of the point ccdf. The ccdf value beyond the maximum threshold is modeled by the linear model as it fits well to the original cumulative distribution of data. The choice of the extrapolation model needs to be guided by available information. The total peat-soil volume is estimated simply summing up the volume at each block (optimal thickness x area of the block). The estimated volumes are almost constant when the block size less than 200 m is used, indicating that the mean of the point ccdf at the center of the block can be used as the representative value of the block. When much larger block sizes are used, the ccdf at the center of the block cannot be used to estimate the block value. In such a case, the block ccdf need to be derived using different approaches such as stochastic simulation. The estimated total peat-soil volume within the investigation boundary at the Bacho site is 2.14 x 10(7) m(3), when the block size smaller than200 m are used. Using the average organic carbon content value measured at the site, the total organic carbon storage is estimated 1.22 x 10(9) kg C. (c) 2004 Elsevier B.V. All rights reserved. C1 Sandia Natl Labs, Geohydrol Dept, Albuquerque, NM 87185 USA. Univ Tsukuba, Tsukuba, Ibaraki 3058573, Japan. Utsunomiya Univ, Fac Agr, Utsunomiya, Tochigi 3218505, Japan. Tokyo Univ Agr, Fac Int Agr & Food Studies, Tokyo 1568502, Japan. Minist Agr & Cooperat, Dept Land Dev, Bangkok 10900, Thailand. Land Dev Reg Off 10th, Sarajevo 71000, Bosnia & Herceg. Natl Agr Res Ctr, Kyushu Okinawa Reg, Dept Agroenvironm Res, Lab Resource Evaluat, Kumamoto 8611192, Japan. RP Saito, H (reprint author), Sandia Natl Labs, Geohydrol Dept, POB 5800,MS 0735, Albuquerque, NM 87185 USA. EM hsaito@sandia.gov NR 18 TC 1 Z9 2 U1 1 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0016-7061 J9 GEODERMA JI Geoderma PD APR PY 2005 VL 125 IS 3-4 BP 235 EP 247 DI 10.1016/j.geoderma.2004.08.005 PG 13 WC Soil Science SC Agriculture GA 904NE UT WOS:000227504200005 ER PT J AU Wenk, HR Lonardelli, I Vogel, SC Tullis, J AF Wenk, HR Lonardelli, I Vogel, SC Tullis, J TI Dauphine twinning as evidence for an impact origin of preferred orientation in quartzite: An example from Vredefort, South Africa SO GEOLOGY LA English DT Article DE Vredefort impact site; Dauphine twinning; quartz crystals; preferred orientation ID TEXTURE ANALYSIS; DOME; PSEUDOTACHYLITE; STRESS; METAMORPHISM; DIFFRACTION; STISHOVITE; EVOLUTION; LAMELLAE; COESITE AB Large meteorite impacts cause great changes to geologic features on Earth, ranging from cratering and ejecta blankets to phase transformations in minerals. In this report we describe the effect of a shock wave on the crystallographic orientation of quartz crystals in quartzite from the Vredefort impact site in South Africa. Preferred orientation of bulk quartzite samples was measured by time-of-flight neutron diffraction. With a random distribution of c-axes, a weak but distinct difference between the orientation distribution of positive and negative rhombs was observed, as illustrated with pole figures and inverse pole figures. Results for the natural Vredefort sample are compared with deformation experiments in which the reorientation occurs as a result of mechanical Dauphine twinning under stress. We conclude that stresses during the impact produced twinning and that the direction of the compressive shock wave can be inferred from the preferred orientation pattern. Specifically, positive rhombs become aligned perpendicular to the direction of compressive stress. C1 Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. Los Alamos Natl Lab, Lujan Ctr, Los Alamos, NM 87545 USA. Brown Univ, Dept Geol Sci, Providence, RI 02912 USA. RP Wenk, HR (reprint author), Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. RI Lujan Center, LANL/G-4896-2012 NR 39 TC 24 Z9 27 U1 1 U2 4 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 2005 VL 33 IS 4 BP 273 EP 276 DI 10.1130/G21163.1 PG 4 WC Geology SC Geology GA 913CE UT WOS:000228127100009 ER PT J AU Webb, SM Tebo, BM Bargar, JR AF Webb, SM Tebo, BM Bargar, JR TI Structural influences of sodium and calcium ions on the biogenic manganese oxides produced by the marine Bacillus sp., strain SG-1 SO GEOMICROBIOLOGY JOURNAL LA English DT Article DE biomineralization; Mn oxidation; XAS; XRD ID ABSORPTION FINE-STRUCTURE; NA-RICH BIRNESSITE; HEXAGONAL BIRNESSITE; HYPORHEIC ZONE; OXIDATION; EXAFS; SPECTROSCOPY; LEAD; DIFFRACTION; MECHANISMS AB Natural manganese oxide nanoparticles and grain coatings profoundly impact contaminant cycling in the environment through their ability to degrade organic compounds and sequester metal ions. Previous studies of biogenic manganese oxides have shown that the interlayer cation may have an important effect on the resulting oxide structure. The effect of Na and Ca ions was investigated to determine their fundamental roles in the stabilization of the phyllomanganate biooxide structure, its unit cell symmetry, and order/disorder relations. Biogenic oxides were created by incubating Mn(II) with spores of the marine Bacillus sp., strain SG-1 and the resulting oxide structures examined using X-ray absorption spectroscopy and X-ray diffraction to determine the short-range and long-range atomic structure. Phyllomanganates were observed exclusively, with differing degrees of layer stacking disorder, degree of crystallinity, and layer symmetry, depending on the cation present. In general, Ca was found to promote biooxide long-range order. We conclude that the presence of Ca in these oxides will confer greater stability to these bacteriogenic manganese bioxodes. C1 Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. Univ Calif San Diego, Scripps Inst Oceanog, La Jolla, CA 92093 USA. RP Webb, SM (reprint author), Stanford Synchrotron Radiat Lab, 2575 Sand Hill Rd,MS 69, Menlo Pk, CA 94025 USA. EM samwebb@slac.stanford.edu RI Webb, Samuel/D-4778-2009; Tebo, Bradley/A-8432-2017 OI Webb, Samuel/0000-0003-1188-0464; Tebo, Bradley/0000-0002-6301-4325 NR 44 TC 31 Z9 32 U1 3 U2 17 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-JUN PY 2005 VL 22 IS 3-4 BP 181 EP 193 DI 10.1080/01490450590946013 PG 13 WC Environmental Sciences; Geosciences, Multidisciplinary SC Environmental Sciences & Ecology; Geology GA 923BN UT WOS:000228883800011 ER PT J AU Lawrence, DJ Hawke, BR Hagerty, JJ Elphic, RC Feldman, WC Prettyman, TH Vaniman, DT AF Lawrence, DJ Hawke, BR Hagerty, JJ Elphic, RC Feldman, WC Prettyman, TH Vaniman, DT TI Evidence for a high-Th, evolved lithology on the Moon at Hansteen Alpha SO GEOPHYSICAL RESEARCH LETTERS LA English DT Article ID LUNAR-SURFACE; MELTS; CRUST; IRON; AREA AB We have revisited a previous interpretation of lunar Th abundances at Hansteen Alpha, which is thought to be a nonmare volcanic construct. Previous studies concluded that while Th abundances were higher than the surrounding mare basalts, Th abundances at Hansteen Alpha were not high enough to be indicative of known, evolved rock types. However, a forward modeling analysis of the Lunar Prospector gamma-ray data provides evidence that Hansteen Alpha may have Th abundances up to 25 mu g/g. This indicates Hansteen Alpha may be composed of a rhyolitic, volcanic lithology. We propose that a possible formation process for Hansteen Alpha is underplating where basaltic magma intrudes into and partially melts the overlying crust. The resulting partial melt is compositionally and thermally buoyant and can be erupted to produce rhyolite. Based on Earth-analogues, underplating could explain both the composition and the relatively large volume ( similar to 100 km(3)) of material represented by Hansteen Alpha. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Univ Hawaii, Hawaii Inst Geophys & Planetol, Honolulu, HI 96822 USA. RP Lawrence, DJ (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM djlawrence@lanl.gov OI Prettyman, Thomas/0000-0003-0072-2831 NR 32 TC 24 Z9 24 U1 1 U2 2 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0094-8276 EI 1944-8007 J9 GEOPHYS RES LETT JI Geophys. Res. Lett. PD APR 1 PY 2005 VL 32 IS 7 AR L07201 DI 10.1029/2004GL022022 PG 4 WC Geosciences, Multidisciplinary SC Geology GA 916DF UT WOS:000228364900001 ER PT J AU Eskenazi, B Kidd, SA Marks, AR Sloter, E Block, G Wyrobek, AJ AF Eskenazi, B Kidd, SA Marks, AR Sloter, E Block, G Wyrobek, AJ TI Antioxidant intake is associated with semen quality in healthy men SO HUMAN REPRODUCTION LA English DT Article DE age; antioxidants; diet; semen quality; sperm ID ASCORBIC-ACID PROTECTS; SEMINAL PLASMA; VITAMIN-E; MALE-INFERTILITY; DOUBLE-BLIND; CONTROLLED-TRIAL; ZINC-SULFATE; HUMAN-SPERM; REPRODUCTION; ASTHENOZOOSPERMIA AB BACKGROUND: We seek to determine whether dietary and supplement intake of specific micronutrients (zinc and folate) and antioxidants (vitamins C, E and beta-carotene) is associated with semen quality. METHODS: Ninety-seven healthy, non-smoking men provided semen and were interviewed. Average daily nutrient intake from food and supplements was derived from a self-administered food frequency questionnaire. Intake levels were summarized as low, moderate and high. Semen volume, sperm concentration, total sperm count, motility, progressive motility and total progressively motile sperm count (TPMS) were measured. RESULTS: After controlling for covariates, a high intake of antioxidants was associated with better semen quality but, in almost all cases, there was no clear dose relationship in that moderate intake groups had the poorest semen quality. For example, positive associations were observed between vitamin C intake and sperm number as reflected in the higher mean count (P=0.04), concentration (P=0.05) and TPMS (P=0.09); between vitamin E intake and progressive motility (P=0.04) and TPMS (P=0.05); and between beta-carotene intake and sperm concentration (P=0.06) and progressive motility (P=0.06). Folate and zinc intake were not associated with improved semen quality. CONCLUSIONS: In a convenience sample of healthy non-smoking men from a non-clinical setting, higher antioxidant intake was associated with higher sperm numbers and motility. C1 Univ Calif Berkeley, Sch Publ Hlth, Berkeley, CA 94720 USA. Lawrence Livermore Natl Lab, Biol & Biotechnol Res Program, Livermore, CA 94550 USA. W Virginia Univ, Genet & Dev Biol Program, Morgantown, WV 26506 USA. RP Eskenazi, B (reprint author), Univ Calif Berkeley, Sch Publ Hlth, 140 Earl Warren Hall, Berkeley, CA 94720 USA. EM eskenazi@berkeley.edu RI Block, Gladys/E-3304-2010; 谢, 飞/C-7706-2009; OI Marks, Amy/0000-0002-3047-5379 FU NIA NIH HHS [1 U01 AG12554]; NIEHS NIH HHS [P42 ES04705] NR 36 TC 102 Z9 108 U1 2 U2 10 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0268-1161 J9 HUM REPROD JI Hum. Reprod. PD APR PY 2005 VL 20 IS 4 BP 1006 EP 1012 DI 10.1093/humrep/deh725 PG 7 WC Obstetrics & Gynecology; Reproductive Biology SC Obstetrics & Gynecology; Reproductive Biology GA 911BG UT WOS:000227975500026 PM 15665024 ER PT J AU Katipamula, S Brambley, MR AF Katipamula, S Brambley, MR TI Methods for fault detection, diagnostics, and prognostics for building systems - A review, part II SO HVAC&R RESEARCH LA English DT Review ID AIR-CONDITIONING SYSTEMS; HANDLING UNITS; RECIPROCATING CHILLERS; HEATING-SYSTEMS; NEURAL NETWORKS; HVAC SYSTEMS; MODEL; VENTILATION; ARX; PERFORMANCE AB This paper is the second of a two part review of methods for automated fault detection and diagnostics (FDD) and prognostics whose intent is to increase awareness of the HVAC&R research and development community to the body of FDD and prognostics developments in other fields as well as advancements in the field of HVAC&R. The first part of the review focused on generic FDD and prognostics, provided a framework for categorizing methods, described them, and identified their primary strengths and weaknesses (Katipamula and Brambley 2005). In this paper we address research and applications specific to the fields of HVAC&R, provide a brief discussion on the current state of diagnostics in buildings, and discuss the future of automated diagnostics in buildings. C1 Pacific NW Natl Fdn, Richland, WA USA. RP Katipamula, S (reprint author), Pacific NW Natl Fdn, Richland, WA USA. NR 77 TC 86 Z9 87 U1 6 U2 20 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA SN 1078-9669 EI 1938-5587 J9 HVAC&R RES JI HVAC&R Res. PD APR PY 2005 VL 11 IS 2 BP 169 EP 187 DI 10.1080/10789669.2005.10391133 PG 19 WC Thermodynamics; Construction & Building Technology; Engineering, Mechanical SC Thermodynamics; Construction & Building Technology; Engineering GA 915WV UT WOS:000228343000002 ER PT J AU Chow, WW Koch, SW AF Chow, WW Koch, SW TI Theory of semiconductor quantum-dot laser dynamics SO IEEE JOURNAL OF QUANTUM ELECTRONICS LA English DT Article DE hot carrier; laser theory; nonequilibrium carrier dynamics; quantum-dot lasers; semiconductor lasers ID MICROCAVITY LASERS; CARRIER TRANSPORT; WELL LASER; RELAXATION; GAIN; MODULATION; 1.3-MU-M; SYSTEMS AB A theory for describing nonequilibrium dynamics in a semiconductor quantum-dot laser is presented. This theory is applied to a microcavity laser with a gain region consisting of an inhomogeneous distribution of quantum dots, a quantum-well wetting layer, and injection pumped bulk regions. Numerical results are presented and the effects of spectral hole burning, plasma heating, and many-body effects are analyzed. C1 Sandia Natl Labs, Semicond Mat & Device Sci Dept, Albuquerque, NM 87185 USA. Univ Marburg, Dept Phys, D-35032 Marburg, Germany. Univ Marburg, Ctr Mat Sci, D-35032 Marburg, Germany. RP Chow, WW (reprint author), Sandia Natl Labs, Semicond Mat & Device Sci Dept, Albuquerque, NM 87185 USA. EM wwchow@sandia.gov NR 36 TC 63 Z9 64 U1 5 U2 15 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0018-9197 J9 IEEE J QUANTUM ELECT JI IEEE J. Quantum Electron. PD APR PY 2005 VL 41 IS 4 BP 495 EP 505 DI 10.1109/JQE.2005.843948 PG 11 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA 909PB UT WOS:000227870800004 ER PT J AU Laiz, H Wunsch, TF Kinard, JR Lipe, TE AF Laiz, H Wunsch, TF Kinard, JR Lipe, TE TI 1-A and-120 mA thin-film multijunction thermal converters SO IEEE TRANSACTIONS ON INSTRUMENTATION AND MEASUREMENT LA English DT Article; Proceedings Paper CT 24th Conference on Precision Electromagnetic Measurements (CPEM2004) CY JUN 27-JUL 02, 2004 CL London, ENGLAND DE AC-DC difference; current converter; thermal converter; thermal current converter; thermoelement AB We report on the development of thin-film multijunction thermal converters for the measurement of ac currents up to 10 A without relying on parallel current shunts. The materials and designs chosen for these devices have been optimized to provide high accuracy over a wide range of input levels and frequencies. Preliminary measurements on a 10-A chip made with a copper-gold heater indicate that its ac-dc difference is nearly zero from 10 Hz to 100 kHz, and that the ac-dc difference is independent of input current level. C1 Inst Nacl Tecnol Ind, INTI, RA-1650 San Martin, Argentina. Sandia Natl Labs, Albuquerque, NM 87185 USA. NIST, Gaithersburg, MD 20899 USA. RP Laiz, H (reprint author), Inst Nacl Tecnol Ind, INTI, RA-1650 San Martin, Argentina. NR 5 TC 3 Z9 3 U1 0 U2 5 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0018-9456 J9 IEEE T INSTRUM MEAS JI IEEE Trans. Instrum. Meas. PD APR PY 2005 VL 54 IS 2 BP 803 EP 806 DI 10.1109/TIM.2004.843354 PG 4 WC Engineering, Electrical & Electronic; Instruments & Instrumentation SC Engineering; Instruments & Instrumentation GA 907VY UT WOS:000227747400082 ER PT J AU Kushner, MJ Hebner, GA AF Kushner, MJ Hebner, GA TI Fourth triennial special issue on images in plasma science SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Editorial Material C1 Iowa State Univ, Coll Engn, Ames, IA 50011 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Kushner, MJ (reprint author), Iowa State Univ, Coll Engn, Ames, IA 50011 USA. RI Kushner, Mark/A-7362-2008; Kushner, Mark/D-4547-2015 NR 0 TC 0 Z9 0 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 2005 VL 33 IS 2 BP 224 EP 225 DI 10.1109/TPS.2005.845885 PN 1 PG 2 WC Physics, Fluids & Plasmas SC Physics GA 916ST UT WOS:000228407100001 ER PT J AU Stange, S Kim, Y Ferreri, V Rosocha, LA Coates, DM AF Stange, S Kim, Y Ferreri, V Rosocha, LA Coates, DM TI Flame images indicating combustion enhancement by dielectric barrier discharges SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article DE dielectric barrier discharge; electric fields and flames; plasma-assisted combustion; silent discharge plasma AB The capability of a plasma to enhance combustion has significant practical implications. We present pictures showing the effect of a dielectric barrier discharge applied to propane prior to combustion. The plasma causes an increase in the flame propagation rate, attributed to the production of reactive radicals and fuel fragments in the plasma. C1 Los Alamos Natl Lab, Plasma Phys Grp, Los Alamos, NM 87545 USA. RP Stange, S (reprint author), Los Alamos Natl Lab, Plasma Phys Grp, Los Alamos, NM 87545 USA. EM sstange@lant.gov NR 4 TC 20 Z9 29 U1 1 U2 6 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 2005 VL 33 IS 2 BP 316 EP 317 DI 10.1109/TPS.2005.845940 PN 1 PG 2 WC Physics, Fluids & Plasmas SC Physics GA 916ST UT WOS:000228407100047 ER PT J AU Duan, YX Huang, C Yu, QS AF Duan, YX Huang, C Yu, QS TI Low-temperature direct current glow discharges at atmospheric pressure SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article DE atmospheric pressure; direct current (dc); glow discharge; low-temperature plasma ID PLASMA SOURCE AB Low-temperature direct current (dc) glow discharges were successfully generated at one atmospheric pressure with very low-power consumption in the level of several watts up to tens of watts. The glow discharges can be ignited and sustained in both continuous and pulsed modes, and can be run with several plasma gases including argon, helium, nitrogen, and air. Depending on the gas flow rate ranged from tens of millimeters per minute to several liters per minute, the glow discharges can be created and sustained in between the two planar electrodes or blown out of the discharge chamber to form low-temperature plasma brushes. The dc current to sustain the glow discharges is in the range of several milliamps to tens of milliamps. Temperature measurements using a thermocouple thermometer showed that the gas temperatures of the plasma brushes are close to room temperature when running with relatively high gas flow rates. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Univ Missouri, Ctr Surface Sci & Plasma Technol, Dept Chem Engn, Columbia, MO 65211 USA. RP Duan, YX (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. EM ydual@lanl.gov; yuq@missouri.edu NR 7 TC 56 Z9 59 U1 4 U2 26 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 2005 VL 33 IS 2 BP 328 EP 329 DI 10.1109/TPS.2005.845893 PN 1 PG 2 WC Physics, Fluids & Plasmas SC Physics GA 916ST UT WOS:000228407100053 ER PT J AU Barnat, EV Hebner, GA AF Barnat, EV Hebner, GA TI Two-dimensional profiles of electric fields in a radio frequency argon plasma above nonuniformities present on a surface SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article AB Laser-induced fluorescence-dip spectroscopy was used to measure two-dimensional (2-D) maps of the electric field present in an argon discharge above a rafio frequency-powered, nonuniform surface. Electric fields were obtained from experimentally measured Stark shifts of the energy of argon Rydberg states. The 2-D maps of the electric fields demonstrated that nonuniformities present on an electrode have long-range effects on the structure of the sheath. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Barnat, EV (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM evbarna@sandia.gov NR 4 TC 2 Z9 2 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 2005 VL 33 IS 2 BP 392 EP 393 DI 10.1109/TPS.2005.845346 PN 1 PG 2 WC Physics, Fluids & Plasmas SC Physics GA 916ST UT WOS:000228407100085 ER PT J AU Hebner, GA Riley, ME Marder, BM AF Hebner, GA Riley, ME Marder, BM TI Attractive interactions between negatively charged dust particles levitated at the plasma-sheath boundary layer SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article DE dust plasma; ion wakefield charging; plasma crystal AB The magnitude and structure of the ion wakefield potential below a single negatively-charged dust particle levitated in the plasma sheath region was calculated and measured. Attractive and repulsive components of the interaction force were extracted from a trajectory analysis of low-energy collisions between different mass particles in a well-defined electrostatic potential. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Hebner, GA (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM gahebne@sandia.gov NR 2 TC 2 Z9 2 U1 0 U2 4 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 2005 VL 33 IS 2 BP 396 EP 397 DI 10.1109/TPS.2005.845006 PN 1 PG 2 WC Physics, Fluids & Plasmas SC Physics GA 916ST UT WOS:000228407100087 ER PT J AU Zweben, SJ Bush, CE Maqueda, RJ Munsat, T Stotler, DP Lowrance, JL Mastrocola, VJ Renda, G AF Zweben, SJ Bush, CE Maqueda, RJ Munsat, T Stotler, DP Lowrance, JL Mastrocola, VJ Renda, G TI Images of edge turbulence in NSTX SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article DE edge plasma; imaging; National Spherical Torus Experiment (NSTX); turbulence AB The two-dimensional structure of edge plasma turbulence has been measured in the National Spherical Torus Experiment (NSTX) by viewing the emission of the D. spectral line of deuterium. Images have been made at framing rates of up to 250 000 frames/s using an ultra-high speed charged coupled device camera developed by Princeton Scientific Instruments. A sequence of images showing the transition between L-mode and H-mode states is shown. C1 Princeton Plasma Phys Lab, Princeton, NJ 08540 USA. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. Nova Photon, Princeton, NJ 08540 USA. Princeton Sci Instruments, Monmouth Jct, NJ 08852 USA. RP Zweben, SJ (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08540 USA. EM Szweben@pppl.gov RI Stotler, Daren/J-9494-2015 OI Stotler, Daren/0000-0001-5521-8718 NR 5 TC 3 Z9 3 U1 0 U2 3 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 2005 VL 33 IS 2 BP 446 EP 447 DI 10.1109/TPS.2005.845140 PN 1 PG 2 WC Physics, Fluids & Plasmas SC Physics GA 916ST UT WOS:000228407100112 ER PT J AU Hemsing, EW Furno, I Intrator, TR AF Hemsing, EW Furno, I Intrator, TR TI Fast camera images of flux ropes during plasma relaxation SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article DE cylindrical; dissipation; flux ropes; helicity; instability; mode structures; relaxation AB Images of visible light emission from flux ropes during plasma relaxation are presented. Multiple images are used to gain insight into the dynamics of driven/dissipative plasma relaxation processes in finite-beta plasmas. A fast-gated (40-200 ns) intensified charge coupled device (ICCD) camera generates time-resolved images of 1-3 flux ropes in the reconnection scaling experiment (RSX) device. During relaxation, flux ropes are observed to evolve toward states characterized by the presence of single and multiple helical mode structures. C1 Los Alamos Natl Lab, P24 Plasma Phys Grp, Los Alamos, NM 87545 USA. RP Hemsing, EW (reprint author), Los Alamos Natl Lab, P24 Plasma Phys Grp, POB 1663, Los Alamos, NM 87545 USA. EM ehemsing@physics.ucla.edu NR 4 TC 12 Z9 12 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 2005 VL 33 IS 2 BP 448 EP 449 DI 10.1109/TPS.2005.845143 PN 1 PG 2 WC Physics, Fluids & Plasmas SC Physics GA 916ST UT WOS:000228407100113 ER PT J AU Bonomo, F Chapman, BE Franz, P Marrelli, L Martin, P Piovesan, P Predebon, I Spizzo, G White, RB AF Bonomo, F Chapman, BE Franz, P Marrelli, L Martin, P Piovesan, P Predebon, I Spizzo, G White, RB TI Imaging of a double helical structure in the reversed field pinch SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article DE magnetohydrodynamic (MHD); Monte Carlo methods; reversed field pinch; soft X-ray tomography ID POLOIDAL CURRENT DRIVE AB X-ray tomography and Poincare reconstructions with the ORBIT code allow imaging of coherent structures emerging in a magnetized fusion plasma when chaos in the magnetic field is reduced. C1 Consorzio RFX, Assoc EURATOM ENEA Fus, Corso Stati Uniti, I-35127 Padua, Italy. Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. Princeton Univ, Plasma Phys Lab, Princeton, NJ 08540 USA. RP Bonomo, F (reprint author), Consorzio RFX, Assoc EURATOM ENEA Fus, Corso Stati Uniti, I-35127 Padua, Italy. EM federica.bonomo@igi.cnr.it RI Marrelli, Lionello/G-4451-2013; White, Roscoe/D-1773-2013; Spizzo, Gianluca/B-7075-2009 OI Marrelli, Lionello/0000-0001-5370-080X; White, Roscoe/0000-0002-4239-2685; Spizzo, Gianluca/0000-0001-8586-2168 NR 11 TC 2 Z9 2 U1 0 U2 4 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 2005 VL 33 IS 2 BP 458 EP 459 DI 10.1109/TPS.2005.845334 PN 1 PG 2 WC Physics, Fluids & Plasmas SC Physics GA 916ST UT WOS:000228407100118 ER PT J AU Predebon, I Marrelli, L White, RB Martin, P AF Predebon, I Marrelli, L White, RB Martin, P TI Trapped particles in the RFP single helicity states SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article ID REVERSED-FIELD PINCH; DIFFUSION; PARADIGM AB Images of the trapped particle fraction in single helicity states of the reversed field pinch configuration are presented. This study is carried out with the Hamiltonian Monte Carlo code ORBIT. The various kinds of trajectories strongly influence radial particle transport in the core, and are determined by field shape and perturbation strength. C1 Consorzio RFX, Assoc Euratom ENEA Fus, I-35127 Padua, Italy. Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Predebon, I (reprint author), Consorzio RFX, Assoc Euratom ENEA Fus, I-35127 Padua, Italy. EM italo.pre-debon@igi.cnr.it RI Marrelli, Lionello/G-4451-2013; White, Roscoe/D-1773-2013 OI Marrelli, Lionello/0000-0001-5370-080X; White, Roscoe/0000-0002-4239-2685 NR 10 TC 0 Z9 0 U1 1 U2 3 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 2005 VL 33 IS 2 BP 460 EP 461 DI 10.1109/TPS.2005.845333 PN 1 PG 2 WC Physics, Fluids & Plasmas SC Physics GA 916ST UT WOS:000228407100119 ER PT J AU Munsat, T Mazzucato, E Park, H Domier, CW Johnson, M Luhmann, NC Wang, J Xia, Z Classen, IGJ Donne, AJH van de Pol, MJ AF Munsat, T Mazzucato, E Park, H Domier, CW Johnson, M Luhmann, NC Wang, J Xia, Z Classen, IGJ Donne, AJH van de Pol, MJ TI 2-D imaging of electron temperature in tokamak plasmas SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article DE electron cyclotron emission; microwave diagnostics; sawtooth instability ID OSCILLATIONS; TOMOGRAPHY AB By taking advantage of recent developments in millimeter wave imaging technology, an electron cyclotron emission imaging (ECEI) instrument, capable of simultaneously measuring 128 channels of localized electron temperature over a two-dimensional (2-D) map in the poloidal plane, has been developed for the TEXTOR tokamak. Data from the new instrument, detailing the magnetohydrodynamic (MHD) activity associated with a sawtooth crash, is presented. C1 Univ Colorado, Dept Phys, Boulder, CO 80309 USA. Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. Univ Calif Davis, Dept Appl Sci, Davis, CA 95616 USA. EURATOM, FOM, Inst Plasma Phys, NL-3430 BE Nieuwegein, Netherlands. RP Munsat, T (reprint author), Univ Colorado, Dept Phys, Boulder, CO 80309 USA. EM tmunsat@pppl.gov NR 7 TC 0 Z9 0 U1 0 U2 7 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 2005 VL 33 IS 2 BP 466 EP 467 DI 10.1109/TPS.2005.845948 PN 1 PG 2 WC Physics, Fluids & Plasmas SC Physics GA 916ST UT WOS:000228407100122 ER PT J AU Balakin, AA Fraiman, GA Fisch, NJ AF Balakin, AA Fraiman, GA Fisch, NJ TI Three-dimensional simulation of backward Raman amplification SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article DE laser amplifier; plasma applications; Raman lasers ID LASER-PULSES AB Three-dimensional (3-D) simulations for the backward Raman amplification (BRA) are presented. The images illustrate the effects of pump depletion, pulse diffraction, nonhomogeneous plasma density, and plasma ionization. C1 Russian Acad Sci, Inst Phys Appl, Nizhnii Novgorod 603950, Russia. Princeton Univ, Dept Astrophys Sci, Princeton, NJ 08543 USA. Princeton Univ, Plasma Phys Lab, Princeton, NJ 08543 USA. RP Balakin, AA (reprint author), Russian Acad Sci, Inst Phys Appl, Nizhnii Novgorod 603950, Russia. EM balakin@appl.sci-nnov.ru; fraiman@appl.sci-nnov.ru; fisch@princeton.edu RI Balakin, Alexey/Q-9326-2016 OI Balakin, Alexey/0000-0001-6252-7279 NR 4 TC 3 Z9 3 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 2005 VL 33 IS 2 BP 488 EP 489 DI 10.1109/TPS.2005.845905 PN 1 PG 2 WC Physics, Fluids & Plasmas SC Physics GA 916ST UT WOS:000228407100133 ER PT J AU Markusic, TE Berkery, JW Choueiri, EY AF Markusic, TE Berkery, JW Choueiri, EY TI Visualization of current sheet evolution in a pulsed plasma accelerator SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article DE current density; magnetic field measurement; photography; plasma engines; plasma sheaths; visualization AB High-speed photography and magnetic field probes were used to visualize and study the formation and propagation of current sheets in a pulsed plasma accelerator. Magnetic field measurements complement photographic records, as the latter indicate the location of the plasma but not necessarily current, whereas magnetic field data provide an unambiguous picture of the current location, but do not directly yield the location of the plasma. The observed current sheet evolution was found to be rich in features and has produced fundamental insight into the phenomena of current sheet canting and trailing wake formation. C1 NASA, Martin Space Flight Ctr, Propuls Res Ctr, Huntsville, AL 35810 USA. Princeton Univ, Dept Mech & Aerosp Engn, Elect Propuls & Plasma Dynam Lab, Princeton, NJ 08544 USA. RP Markusic, TE (reprint author), NASA, Martin Space Flight Ctr, Propuls Res Ctr, Huntsville, AL 35810 USA. EM markusic@msfc.nasa.gov; choueiri@princeton.edu RI Berkery, John/B-7930-2011 NR 6 TC 4 Z9 4 U1 1 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 2005 VL 33 IS 2 BP 528 EP 529 DI 10.1109/TPS.2005.845898 PN 1 PG 2 WC Physics, Fluids & Plasmas SC Physics GA 916ST UT WOS:000228407100153 ER PT J AU Kaganovich, ID Startsev, E Davidson, RC AF Kaganovich, ID Startsev, E Davidson, RC TI Images of complex interactions of an intense ion beam with plasma electrons SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article ID NEUTRALIZATION AB Ion beam propagation in a background plasma is an important scientific issue for many practical applications. The process of ion beam charge and current neutralization is complex because plasma electrons move in the strong electric and magnetic fields of the beam. Computer simulation images of plasma interaction with an intense ion beam pulse are presented. C1 Princeton Univ, Plasma Phys Lab, Princeton, NJ 08543 USA. RP Kaganovich, ID (reprint author), Princeton Univ, Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. NR 6 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 2005 VL 33 IS 2 BP 556 EP 557 DI 10.1109/TPS.2005.845936 PN 1 PG 2 WC Physics, Fluids & Plasmas SC Physics GA 916ST UT WOS:000228407100167 ER PT J AU Pikuz, SA Shelkovenko, TA Sinars, DB Hammer, DA AF Pikuz, SA Shelkovenko, TA Sinars, DB Hammer, DA TI Time-dependence of X-pinch structure in one test from two radiographic images SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article DE exploding-wire z-pinch; X-pinch plasma; X-ray radiography ID DYNAMICS AB X-pinches have been developed as point sources of soft X-rays for radiography, and are now routinely used for that purpose. Spatial resolution as good as 2 mu m and time resolution as good as a few 10 s of picoseconds has been obtained. Here, we present images from one of a very small number of tests in which a 450-kA, 100-ns pulse was divided among three X-pinches in parallel, and each of the three emitted an X-ray burst that was used for radiography of one or both of the other two. C1 Cornell Univ, Plasma Studies Lab, Ithaca, NY 14853 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Pikuz, SA (reprint author), Cornell Univ, Plasma Studies Lab, Ithaca, NY 14853 USA. EM dah5@cornell.edu RI Pikuz, Sergey/M-8231-2015; Shelkovenko, Tatiana/M-8254-2015 NR 8 TC 4 Z9 4 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 2005 VL 33 IS 2 BP 580 EP 581 DI 10.1109/TPS.2005.845111 PN 1 PG 2 WC Physics, Fluids & Plasmas SC Physics GA 916ST UT WOS:000228407100179 ER PT J AU Collins, LA Kress, JD Mazevet, SF Desjarlais, MP AF Collins, LA Kress, JD Mazevet, SF Desjarlais, MP TI Quantum molecular dynamics simulations of dense plasmas SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article DE aluminum; deuterium; hydrogen; liquids; plasma properties; quantum theory AB Quantum molecular dynamics simulations accurately describe the delicate balance of atoms, molecules, ions, and electrons encountered in dense plasmas. Images of the electron probability densities and optical absorption coefficients in dense plasmas are presented. C1 Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. Sandia Natl Labs, Pulsed Power Sci Ctr, Albuquerque, NM 87185 USA. RP Collins, LA (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM jdk@lanl.gov NR 4 TC 0 Z9 0 U1 0 U2 6 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 2005 VL 33 IS 2 BP 586 EP 587 DI 10.1109/TPS.2005.845919 PN 1 PG 2 WC Physics, Fluids & Plasmas SC Physics GA 916ST UT WOS:000228407100182 ER PT J AU Gitomer, SJ AF Gitomer, SJ TI Special issue on selected oral contributed papers from ICOPS 2004 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, Los Alamos, NM 87545 USA. NR 0 TC 0 Z9 0 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 2005 VL 33 IS 2 BP 590 EP 592 DI 10.1109/TPS.2005.847565 PN 2 PG 3 WC Physics, Fluids & Plasmas SC Physics GA 916SX UT WOS:000228407500001 ER PT J AU Scime, EE Zaniewski, AM Skoug, RM Thomsen, M Pollock, CJ AF Scime, EE Zaniewski, AM Skoug, RM Thomsen, M Pollock, CJ TI Ion temperature imaging of the Earth's magnetosphere SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article; Proceedings Paper CT 31st IEEE International Conference on Plasma Science (ICOPS 2004) CY JUN 28-JUL 01, 2004 CL Baltimore, MD SP IEEE DE magnetic storms; magnetosphere; plasma properties ID NEUTRAL ATOM IMAGES; TIME RING CURRENT; STORM-TIME; TRANSMISSION GRATINGS; SPACE PLASMAS; DST INDEX; MISSION; ASSOCIATION; SUBSTORM; DECAY AB Detection of neutral atom emission from hot plasmas has evolved to the point where it is now possible to image hot plasmas in neutral atom emission. In this paper, we review the qualitative and quantitative spatially resolved information that can be obtained from neutral atom images, e.g., hot ion transport and ion temperatures. A challenging aspect of neutral atom imaging of the earth's quiet time magnetosphere is that the combination of small neutral fluxes and spacecraft motion necessitates the development of algorithms capable of summing neutral emission obtained from different vantage points over many months to obtain statistically significant images. The image summing algorithm and typical summed images are also presented in this work. C1 W Virginia Univ, Dept Phys, Morgantown, WV 26506 USA. Los Alamos Natl Lab, Los Alamos, NM 87544 USA. SW Res Inst, Space Sci & Engn Div, San Antonio, TX 78228 USA. RP Scime, EE (reprint author), W Virginia Univ, Dept Phys, Morgantown, WV 26506 USA. NR 31 TC 0 Z9 0 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 2005 VL 33 IS 2 BP 593 EP 598 DI 10.1109/TPS.2005.844597 PN 2 PG 6 WC Physics, Fluids & Plasmas SC Physics GA 916SX UT WOS:000228407500002 ER PT J AU Klepper, CC Carlson, EP Hazelton, RC Yadlowsky, EJ Feng, B Taher, MA Meyer, HM AF Klepper, CC Carlson, EP Hazelton, RC Yadlowsky, EJ Feng, B Taher, MA Meyer, HM TI H-alpha emission as a feedback control sensor for reactive sputter deposition of nano-structured, diamond-like carbon coatings SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article; Proceedings Paper CT 31st IEEE International Conference on Plasma Science (ICOPS 2004) CY JUN 28-JUL 01, 2004 CL Baltimore, MD SP IEEE DE atomic physics; coatings; closed loop systems; plasma measurements; process control; sputtering; thin films ID CONTAINING HYDROCARBON COATINGS; CERAMIC NANOCOMPOSITE COATINGS; TRIBOLOGY AB This paper discusses the potential use of the hydrogen atomic line emission at 656.3 mn (H-alpha) as an effective in-situ sensor for a closed-loop control system to improve the reproducibility of reactive sputter deposition of nano-structured, metal-containing, hydrogenated, diamond-like carbon (Me:DLC:H) coatings. The paper includes experimental results showing a good correlation between H-alpha emission in the process plasma and the formation of metal-carbide, an important component of these coatings. The first attempts at actual feedback-control of the process showed that this sensor can be effective, at least over the stage of the deposition when mostly carbides are formed in the coating. A spectrally resolved analysis of the H-alpha emission for the various stages of the deposition have shown that the emission profile is dominated by a "hot" component (similar to 10-20 eV), which can be attributed to dissociative excitation of molecular hydrogen (H-2). The molecular hydrogen is understood to evolve from the coating as a result of carbon incorporation from the reactive gas (C2H2) and is particularly sensitive to metal carbide formation in the film, when most of the hydrogen is released from the surface in molecular form. C1 HY Tech Res Corp, Radford, VA 24141 USA. Caterpillar Inc, Adv Mat Technol, Mossville, IL 61525 USA. Caterpillar Inc, Technol & Solut Div, Adv Mat Technol, 6 Sigma Black Belt,Surface Engn & Tribol, Mossville, IL 61525 USA. High Temp Mat Lab, Oak Ridge, TN 37831 USA. Oak Ridge Natl Lab, Div Met & Ceram, Oak Ridge, TN 37831 USA. RP Klepper, CC (reprint author), HY Tech Res Corp, Radford, VA 24141 USA. EM cklepper@hytechresearch.com; ecarlson@hytechresearch.com; bhazelton@hytechresearch.com; eyadlowsky@hytechresearch.com; feng_bao@cat.com; Taher_Mahmoud_A@cat.com; meyerhmiii@oml.gov RI Klepper, C.Christopher/I-9904-2016 OI Klepper, C.Christopher/0000-0001-9107-8337 NR 15 TC 3 Z9 3 U1 1 U2 3 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 2005 VL 33 IS 2 BP 799 EP 807 DI 10.1109/TPS.2005.844531 PN 2 PG 9 WC Physics, Fluids & Plasmas SC Physics GA 916SX UT WOS:000228407500028 ER PT J AU Humphries, S Russell, S Carlsten, B Earley, L AF Humphries, S Russell, S Carlsten, B Earley, L TI Focusing of high-perveance planar electron beams in a miniature wiggler magnet array SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article DE bean transport; charge-particle simulation; high-current beam; planar beam; wiggler magnet focusing ID POWER MICROWAVE DEVICES; SHEET BEAM; AMPLIFIERS AB The transport of planar electron beams is a topic of increasing interest for applications to high-power, high-frequency microwave devices. This paper describes two- and three-dimensional simulations of electron-beam transport in a notched wiggler magnet array. The calculations include self-consistent effects of beam-generated fields. The simple notched wiggler configuration can provide vertical and horizontal confinement of high-perveance sheet electron beams with small transverse dimensions. The feasibility calculations address a beam system to drive a 95-GHz traveling-wave tube experiment under construction at Los Alamos National Laboratory, Los Alamos, NM. C1 Field Precis, Albuquerque, NM 87192 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Humphries, S (reprint author), Field Precis, Albuquerque, NM 87192 USA. NR 22 TC 17 Z9 19 U1 1 U2 6 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 2005 VL 33 IS 2 BP 882 EP 891 DI 10.1109/TPS.2005.845088 PN 3 PG 10 WC Physics, Fluids & Plasmas SC Physics GA 916TD UT WOS:000228408100004 ER PT J AU Ekdahl, C Abeyta, EO Bender, H Broste, W Carlson, C Caudill, L Chan, KCD Chen, YJ Dalmas, D Durtschi, G Eversole, S Eylon, S Fawley, W Frayer, D Gallegos, R Harrison, J Henestroza, E Holzscheiter, M Houck, T Hughes, T Humphries, S Johnson, D Johnson, J Jones, K Jacquez, E McCuistian, BT Meidinger, A Montoya, N Mostrom, C Moy, K Nielsen, K Oro, D Rodriguez, L Rodriguez, P Sanchez, M Schauer, A Simmons, D Smith, HV Studebaker, J Sturgess, R Sullivan, G Swinney, C Temple, R Tom, CY Yu, SS AF Ekdahl, C Abeyta, EO Bender, H Broste, W Carlson, C Caudill, L Chan, KCD Chen, YJ Dalmas, D Durtschi, G Eversole, S Eylon, S Fawley, W Frayer, D Gallegos, R Harrison, J Henestroza, E Holzscheiter, M Houck, T Hughes, T Humphries, S Johnson, D Johnson, J Jones, K Jacquez, E McCuistian, BT Meidinger, A Montoya, N Mostrom, C Moy, K Nielsen, K Oro, D Rodriguez, L Rodriguez, P Sanchez, M Schauer, A Simmons, D Smith, HV Studebaker, J Sturgess, R Sullivan, G Swinney, C Temple, R Tom, CY Yu, SS TI Initial electron-beam results from the DARHT-II linear induction accelerator SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article DE accelerator; accelerator measurement systems; induction accelerators; particle beams; stability AB The DARHT-II linear-induction accelerator has been successfully operated at 1.2-1.3 kA and 12.5-12.7 MeV to demonstrate the production and acceleration of an electron beam. Beam pulse lengths for these experiments were varied from 0.5 mu s to 1.2 mu s full-width half-maximum. A low-frequency inductance-capacitance (LC) oscillation of diode voltage and current resulted in an oscillation of the beam position through interaction with an accidental (static) magnetic dipole in the diode region. There was no growth in the amplitude of this oscillation after propagating more than 44 m through the accelerator, and there was no loss of beam current that could be measured. The results of these initial experiments are presented in this paper. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Bechtel, Los Alamos, NM 87544 USA. Mission Res Corp, Albuquerque, NM 87110 USA. RP Ekdahl, C (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM cekdahl@lanl.gov NR 19 TC 14 Z9 14 U1 1 U2 2 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0093-3813 J9 IEEE T PLASMA SCI JI IEEE Trans. Plasma Sci. PD APR PY 2005 VL 33 IS 2 BP 892 EP 900 DI 10.1109/TPS.2005.845115 PN 3 PG 9 WC Physics, Fluids & Plasmas SC Physics GA 916TD UT WOS:000228408100005 ER PT J AU Lee, D Park, JM Hong, SH Kim, Y AF Lee, D Park, JM Hong, SH Kim, Y TI Numerical simulation on mode transition of atmospheric dielectric barrier discharge in helium-oxygen mixture SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article DE atmospheric helium.; dielectric barrier discharge; glow mode; numerical simulation; oxygen additive; Townsend mode ID GLOW-DISCHARGE; CHARGED-PARTICLES; PRESSURE; AFTERGLOW; PLASMA; TEMPERATURE; CHEMISTRY; EQUATION AB A one-dimensional numerical simulation of a homogeneous dielectric barrier discharge has been carried out for a nonequilibrium. helium-oxygen mixture plasma to understand the influences of oxygen additive on its discharge characteristics at atmospheric pressure. The numerical results obtained by solving continuity equations for plasma species and Poisson equation show that, depending on the amount of oxygen added, the homogeneous barrier discharge turns out to have two fundamental modes: glow and Townsend. When oxygen is rare, the discharge has similar characteristics to the direct current glow discharge at low pressure. As the oxygen additive increases, the discharge characteristics of the glow mode are destroyed and changed into the Townsend mode. The reason for this mode transition is due to the fact that oxygen plays an important role both in quenching helium metastables and in attaching electrons on it in the plasma. As a practical method of sustaining the glow mode even with high oxygen concentration in the discharge, adjustment of the frequency of applied driving voltage is introduced. The numerical simulation reveals that the glow mode recovers from the Townsend mode by increasing the frequency while the amount of oxygen is highly contained. Finally, discharge operation regimes for the glow and Townsend modes are numerically obtained, which are dependent on both oxygen additive and applied frequency. C1 Seoul Natl Univ, Dept Nucl Engn, Seoul 151742, South Korea. Los Alamos Natl Lab, Plasma Phys Grp, Los Alamos, NM 87545 USA. RP Lee, D (reprint author), Seoul Natl Univ, Dept Nucl Engn, Seoul 151742, South Korea. EM hongsh@snu.ac.kr NR 29 TC 59 Z9 61 U1 5 U2 22 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 2005 VL 33 IS 2 BP 949 EP 957 DI 10.1109/TPS.2006.8444493 PN 3 PG 9 WC Physics, Fluids & Plasmas SC Physics GA 916TD UT WOS:000228408100011 ER PT J AU Kung, CC Bernabei, S Gumbas, J Greenough, N Fredd, E Wilson, JR Hosea, J AF Kung, CC Bernabei, S Gumbas, J Greenough, N Fredd, E Wilson, JR Hosea, J TI Compact power detection probe for the RF plasma heating waveguide array SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article DE compact power detection probe; radio frequency (RF) plasma heating; reduced height waveguide array AB Reduced height waveguide arrays are commonly used in fusion plasma radio frequency heating in the lower hybrid frequency range. In order to distinguish the incident wave and the reflected wave, power detection with high directivity in each reduced height waveguide is required. Due to the confined space in a stack of reduced height waveguides, power detection with high directivity in the reduced height waveguide is extremely difficult, especially from the wide side of the waveguide by using a conventional E probe. A new compact probe, which employs current loops, to monitor the incident and reflected wave from the narrow side of the reduced height waveguide has been developed. According to the test data, greater than 35 dB of directivity was measured with this compact probe at 4.6 GHz. C1 Princeton Univ, Plasma Phys Lab, Princeton, NJ 08543 USA. RP Kung, CC (reprint author), Princeton Univ, Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. NR 7 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 2005 VL 33 IS 2 BP 969 EP 975 DI 10.1109/TPS.2005.844491 PN 3 PG 7 WC Physics, Fluids & Plasmas SC Physics GA 916TD UT WOS:000228408100014 ER PT J AU Xu, WS Huang, ZY Cui, Y Wang, HZ AF Xu, WS Huang, ZY Cui, Y Wang, HZ TI Harmonic resonance mode analysis SO IEEE TRANSACTIONS ON POWER DELIVERY LA English DT Article DE eigenvalue; harmonic resonance; harmonics; modal analysis; power quality ID SYSTEMS; SIMULATION AB Harmonic resonance often manifests as high harmonic voltages in a power system. It was found that such resonance phenomenon is associated with the singularity of the network admittance matrix. The singularity, in turn, is due to the fact that one of the eigenvalues of the matrix approaches zero. By analyzing the characteristics of the eigenvalue, one can find useful information on the nature and extent of the resonance. The objective of this paper is to present our findings on this interesting subject. Based on the results, a technique called Resonance Mode Analysis is proposed. Analytical and case study results have confirmed that the proposed method is a valuable tool for power system harmonic analysis. C1 Univ Alberta, Edmonton, AB T6G 2G7, Canada. Shandong Univ, Jinan 250100, Shandong, Peoples R China. Pacific NW Natl Lab, Richland, WA 99352 USA. RP Xu, WS (reprint author), Univ Alberta, Edmonton, AB T6G 2G7, Canada. EM wxu@ece.ualberta.ca; zhenyu.huang@pnl.gov; yucui@ece.ualberta.ca NR 7 TC 29 Z9 40 U1 2 U2 3 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0885-8977 J9 IEEE T POWER DELIVER JI IEEE Trans. Power Deliv. PD APR PY 2005 VL 20 IS 2 BP 1182 EP 1190 DI 10.1109/TPWRD.2004.834856 PN 1 PG 9 WC Engineering, Electrical & Electronic SC Engineering GA 912RA UT WOS:000228095900085 ER PT J AU Freitas, W Xu, WS Affonso, CM Huang, ZY AF Freitas, W Xu, WS Affonso, CM Huang, ZY TI Comparative analysis between ROCOF and vector surge relays for distributed generation applications SO IEEE TRANSACTIONS ON POWER DELIVERY LA English DT Article DE distributed generation; islanding detection; rate of change of frequency (ROCOF) relays; vector-surge (VS) relays AB This paper presents a comprehensive comparative analysis between rate-of-change-of-frequency (ROCOF) and vector-surge (VS) relays for distributed generation islanding detection. The analysis is based, on the concepts of detection-time versus active power-imbalance curves and critical active power imbalance. Such curves are obtained through dynamic simulations. The performance of these devices considering different scenarios is determined and compared. Factors such as voltage-dependent loads, generator inertia constant, and multidistributed generator systems are analyzed. False operation of these relays due to faults in adjacent feeders is also addressed. Results show that ROCOF relays are more reliable to detect islanding than vector surge relays when the active power imbalance in the islanded system is small. However, ROCOF relays are more susceptible to false operation than VS relays. C1 State Univ Campinas, Dept Elect Energy, BR-13081970 Campinas, SP, Brazil. Univ Alberta, Dept Elect & Comp Engn, Edmonton, AB T6G 2V4, Canada. Pacific NW Natl Lab, Energy Sci & Technol Div, Richland, WA 99352 USA. RP Freitas, W (reprint author), State Univ Campinas, Dept Elect Energy, BR-13081970 Campinas, SP, Brazil. EM walmir@ieee.org; wxu@ee.ualberta.ca; carolina@dsce.fee.unicamp.br; zhenyu.huang@pnl.gov RI Freitas, Walmir/A-2516-2008 OI Freitas, Walmir/0000-0002-2042-6741 NR 8 TC 116 Z9 121 U1 1 U2 5 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0885-8977 J9 IEEE T POWER DELIVER JI IEEE Trans. Power Deliv. PD APR PY 2005 VL 20 IS 2 BP 1315 EP 1324 DI 10.1109/TPWRD.2004.834869 PN 2 PG 10 WC Engineering, Electrical & Electronic SC Engineering GA 912RC UT WOS:000228096100013 ER PT J AU Enginarlar, E Li, JS Meerkov, SM AF Enginarlar, E Li, JS Meerkov, SM TI How lean can lean buffers be? SO IIE TRANSACTIONS LA English DT Article ID SERIAL PRODUCTION LINES; SPACE ALLOCATION; SYSTEMS; CAPACITIES; STORAGE; OPTIMIZATION; PERFORMANCE; BOTTLENECKS; THROUGHPUT; ALGORITHMS AB This paper provides a quantitative characterization of the smallest, i.e., lean, buffer capacity necessary and sufficient to attain a desired throughput in serial production lines with identical exponential machines. The development is carried out in terms of normalized buffer capacity and production line efficiency. The smallest normalized buffer capacity required to ensure the desired line efficiency is referred to as the Lean Level of Buffering (LLB). Exact formulas for the LLB in two- and three-machine lines are presented and an approximate expression for the LLB in lines with more than three machines is derived. Along with these analytical results, several qualitative insights into the nature of lean buffering in serial production lines are presented. C1 Univ Michigan, Dept Elect Engn & Comp Sci, Ann Arbor, MI 48109 USA. Los Alamos Natl Lab, Decis Applicat Div, Los Alamos, NM 87545 USA. GM Res & Dev Ctr, Mfg Syst Res Lab, Warren, MI 48090 USA. RP Meerkov, SM (reprint author), Univ Michigan, Dept Elect Engn & Comp Sci, Ann Arbor, MI 48109 USA. EM smm@eecs.umich.edu NR 31 TC 16 Z9 16 U1 0 U2 1 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 0740-817X J9 IIE TRANS JI IIE Trans. PD APR PY 2005 VL 37 IS 4 BP 333 EP 342 DI 10.1080/07408170590916878 PG 10 WC Engineering, Industrial; Operations Research & Management Science SC Engineering; Operations Research & Management Science GA 919UF UT WOS:000228642400005 ER PT J AU Guerra, C Pascucci, V AF Guerra, C Pascucci, V TI Line-based object recognition using Hausdorff distance: from range images to molecular secondary structures SO IMAGE AND VISION COMPUTING LA English DT Article DE 3D object recognition; range images; Hausdorff distance; geometric pattern matching; molecular recognition ID PROTEINS; SEGMENTS; MOTION AB Object recognition algorithms are fundamental tools in automatic matching of geometric shapes within a background scene. Many approaches have been proposed in the past to solve the object recognition problem. Two of the key aspects that distinguish them in terms of their practical usability are: (i) the type of input model description and (ii) the comparison criteria used. In this paper we introduce a novel scheme for 3D object recognition based on line segment representation of the input shapes and comparison using the Hausdorff distance. This choice of model representation provides the flexibility to apply the scheme in different application areas. We define several variants of the Hausdorff distance to compare the models within the framework of well-defined metric spaces. We present a matching algorithm that efficiently finds a pattern in a 3D scene. The algorithm approximates a minimization procedure of the Hausdorff distance. The output error due to the approximation is guaranteed to be within a known constant bound. Practical results are presented for two classes of objects: (i) polyhedral shapes extracted from segmented range images and (ii) secondary structures of large molecules. In both cases the use of our approximate algorithm allows to match correctly the pattern in the background while achieving the efficiency necessary for practical use of the scheme. In particular the performance is improved substantially with minor degradation of the quality of the matching. (C) 2004 Elsevier B.V All rights reserved. C1 Univ Padua, Dept Informat Engn, Padua, Italy. Lawrence Livermore Natl Lab, CASC, Livermore, CA USA. RP Guerra, C (reprint author), Univ Padua, Dept Informat Engn, Via Gradenigo 6-A, Padua, Italy. EM guerra@dei.unipd.it NR 34 TC 12 Z9 12 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0262-8856 J9 IMAGE VISION COMPUT JI Image Vis. Comput. PD APR 1 PY 2005 VL 23 IS 4 BP 405 EP 415 DI 10.1016/j.imavis.2004.11.002 PG 11 WC Computer Science, Artificial Intelligence; Computer Science, Software Engineering; Computer Science, Theory & Methods; Engineering, Electrical & Electronic; Optics SC Computer Science; Engineering; Optics GA 900NR UT WOS:000227222100004 ER PT J AU Sun, X Khaleel, MA Davies, RW AF Sun, X Khaleel, MA Davies, RW TI Modeling of stone-impact resistance of monolithic glass ply using continuum damage mechanics SO INTERNATIONAL JOURNAL OF DAMAGE MECHANICS LA English DT Article DE continuum damage mechanics; monolithic glass ply; glass-impact resistance; stair-stepping experiments; strain gage measurements ID SMALL STEEL SPHERES; LOW-VELOCITY IMPACT; LAMINATED GLASS; SURFACES; FRACTURE; SUBJECT AB The stone-impact resistance of a monolithic glass ply is studied using a combined experimental and computational approach. Instrumented stone-impact tests are first carried out in a controlled environment. Explicit finite element analyses are then used to simulate the interactions of the indentor and the glass layer during the impact event, and a continuum damage mechanics (CDM) model is used to describe the constitutive behavior of glass. The experimentally measured strain histories for low-velocity impact serves as validation of the modeling procedures. Next, stair-stepping impact experiments are performed with two indenter sizes on two glass ply thicknesses, and the test results are used to calibrate the critical stress parameters used in the CDM constitutive model. The purpose of this study is to establish the modeling procedures and the CDM critical stress parameters under impact loading conditions. The modeling procedures and the CDM model will be used in our future studies to predict through-thickness damage evolution patterns for different laminated windshield designs in automotive applications. C1 Battelle Mem Inst, Columbus, OH 43201 USA. Pacific NW Natl Lab, Richland, WA 99352 USA. RP Sun, X (reprint author), Battelle Mem Inst, 505 King Ave, Columbus, OH 43201 USA. EM sunx@battelle.org OI khaleel, mohammad/0000-0001-7048-0749 NR 13 TC 18 Z9 21 U1 0 U2 5 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 2005 VL 14 IS 2 BP 165 EP 178 DI 10.1177/1056789505048601 PG 14 WC Materials Science, Multidisciplinary; Mechanics SC Materials Science; Mechanics GA 918SJ UT WOS:000228567600004 ER PT J AU Ritchie, RO AF Ritchie, RO TI Incomplete self-similarity and fatigue-crack growth SO INTERNATIONAL JOURNAL OF FRACTURE LA English DT Article DE fatigue-crack growth; incomplete similarity; Paris law; scaling laws ID PROPAGATION; MECHANISMS; DUCTILE; STEEL; MODEL AB The Paris power law, which relates fatigue-crack growth rates to the applied stress-intensity range, is an example of a scaling law with the inherent property of incomplete similarity. Previous considerations of dimensions and self-similarity have suggested that the assumed 'materials constants' in this law are also a function of specimen size. In this note, the question of the size-dependence of the Paris law is re-examined, and through comparison to a larger body of fatigue-crack growth data in steels, physical explanations why such scaling effects may exist are deduced. C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. RP Ritchie, RO (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RI Ritchie, Robert/A-8066-2008 OI Ritchie, Robert/0000-0002-0501-6998 NR 28 TC 36 Z9 36 U1 0 U2 7 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0376-9429 J9 INT J FRACTURE JI Int. J. Fract. PD APR PY 2005 VL 132 IS 3 BP 197 EP 203 DI 10.1007/s10740-005-2266-y PG 7 WC Materials Science, Multidisciplinary; Mechanics SC Materials Science; Mechanics GA 948PU UT WOS:000230729000001 ER PT J AU Staszczak, A Dobaczewski, J Nazarewicz, W AF Staszczak, A Dobaczewski, J Nazarewicz, W TI Skyrme-Hartree-Fock calculations of fission barriers of the heaviest and superheavy nuclei SO INTERNATIONAL JOURNAL OF MODERN PHYSICS E-NUCLEAR PHYSICS LA English DT Article; Proceedings Paper CT 11th Nuclear Physics Workshop CY SEP 23-26, 2004 CL Kazimierz, POLAND ID HARMONIC-OSCILLATOR BASIS; MEAN-FIELD MODELS; EQUATIONS; PROGRAM; HFODD; VERSION AB Self-consistent Skyrme-Hartree-Fock (SHF) calculations of static fission barriers are presented for even-even Fermium isotopes as well as for superheavy even-even N=184 isotones. In the particle-hole channel, we use the SLy4 Skyrme parametrization, while in the particle-particle channel we take a T=1 seniority pairing force treated in the BCS approximation. The influence of reflection-asymmetric and triaxial degrees of freedom on the static fission paths are investigated. C1 Marie Curie Sklodowska Univ, Inst Phys, PL-20031 Lublin, Poland. Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. Univ Warsaw, Inst Theoret Phys, PL-00681 Warsaw, Poland. Joint Inst Heavy Ion Res, Oak Ridge, TN 37831 USA. RP Staszczak, A (reprint author), Marie Curie Sklodowska Univ, Inst Phys, Pl M Curie Sklodowskiej 1, PL-20031 Lublin, Poland. EM stas@tytan.umes.lublin.pl; jacek.dobaczewski@fuw.edu.pl; witek@utk.edu NR 15 TC 29 Z9 29 U1 0 U2 1 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 0218-3013 J9 INT J MOD PHYS E JI Int. J. Mod. Phys. E-Nucl. Phys. PD APR PY 2005 VL 14 IS 3 BP 395 EP 402 DI 10.1142/S0218301305003181 PG 8 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 933HN UT WOS:000229619600015 ER PT J AU Davis, J Stark, D Edmonds, N AF Davis, J Stark, D Edmonds, N TI Method of interaction in a modular architecture for sensor systems (mass) SO INTERNATIONAL JOURNAL OF SOFTWARE ENGINEERING AND KNOWLEDGE ENGINEERING LA English DT Article; Proceedings Paper CT 1st International Embedded and Hybrid Systems Conference CY MAY 11-13, 2005 CL Singapore, SINGAPORE DE modular design; embedded systems; wireless sensor networks AB The system level hardware architecture of individual nodes in a distributed wireless sensor network has not received adequate attention. A novel hardware architecture based on the concept of task specific modular computing provides both the high flexibility and power efficiency required for effective distributed sensing solutions. This paper presents this newly developed architecture and provides an analysis of two possible methods for module interaction. Results from simulations based on this analysis are given. Finally, a brief description of the hardware and software design and prototype implementation of the modular architecture for sensor systems (MASS) is given to show the ease of use of the conceptual architecture. C1 Sandia Natl Labs, Embedded Reasoning Inst, Livermore, CA 94550 USA. RP Davis, J (reprint author), Sandia Natl Labs, Embedded Reasoning Inst, Livermore, CA 94550 USA. EM jzdavis@sandia.gov; dpstark@sandia.gov; ngedmon@sandia.gov NR 8 TC 0 Z9 0 U1 0 U2 0 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 0218-1940 J9 INT J SOFTW ENG KNOW JI Int. J. Softw. Eng. Knowl. Eng. PD APR PY 2005 VL 15 IS 2 BP 419 EP 424 DI 10.1142/S0218194005002099 PG 6 WC Computer Science, Artificial Intelligence; Computer Science, Software Engineering; Engineering, Electrical & Electronic SC Computer Science; Engineering GA 930YX UT WOS:000229454100040 ER PT J AU Belkin, MA Shen, YR AF Belkin, MA Shen, YR TI Non-linear optical spectroscopy as a novel probe for molecular chirality SO INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY LA English DT Review ID CIRCULAR-DICHROISM SPECTROSCOPY; FREQUENCY VIBRATIONAL SPECTROSCOPY; SURFACE 2ND-HARMONIC GENERATION; 2ND HARMONIC-GENERATION; RAMAN-SCATTERING; ROTATORY POWER; LIQUIDS; RESONANCE; REFLECTION; MODEL AB Optical second-harmonic generation and sum-frequency generation as novel spectroscopic tools to probe molecular chirality are currently being developed. The latter in particular allows studies of chirality associated with both electronic and vibrational transitions of molecules in isotropic bulk, thin films, and monolayers. We review here the recent theoretical and experimental progress in the field. It is shown theoretically and experimentally that both processes can have monolayer sensitivity to detect chirality in electronic and vibrational transitions and that the sensitivity of the sum-frequency spectroscopy of chirality in vibrational transitions can be greatly enhanced through vibrational-electronic double-resonance. Measurements with short-pulsed lasers provide opportunities for time-resolved in situ studies of chirality. C1 Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Belkin, MA (reprint author), Harvard Univ, Div Engn & Appl Sci, Cambridge, MA 02138 USA. EM mbelkin@deas.harvard.edu; shenyr@socrates.berkeley.edu RI Belkin, Mikhail/E-9041-2013 OI Belkin, Mikhail/0000-0003-3172-9462 NR 78 TC 72 Z9 72 U1 2 U2 30 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0144-235X J9 INT REV PHYS CHEM JI Int. Rev. Phys. Chem. PD APR PY 2005 VL 24 IS 2 BP 257 EP 299 DI 10.1080/01442350500270601 PG 43 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 981VD UT WOS:000233115200002 ER PT J AU Turner, DD AF Turner, DD TI Arctic mixed-phase cloud properties from AERI lidar observations: Algorithm and results from SHEBA SO JOURNAL OF APPLIED METEOROLOGY LA English DT Article ID EMITTED RADIANCE INTERFEROMETER; NONSPHERICAL ICE PARTICLE; SURFACE HEAT-BUDGET; RADIATIVE PROPERTIES; STRATUS CLOUD; RESOLVING SIMULATIONS; INFRARED OBSERVATIONS; INDEPENDENT SPHERES; OPTICAL-CONSTANTS; DOPPLER RADAR AB A new approach to retrieve microphysical properties from mixed-phase Arctic Clouds is presented. This mixed-phase cloud property retrieval algorithm (MIXCRA) retrieves cloud optical depth, ice fraction, and the effective radius of the water and ice particles from ground-based, high-resolution infrared radiance and lidar cloud boundary observations. The theoretical basis for this technique is that the absorption coefficient of ice is greater than that of liquid water from 10 to 13 μ m, whereas liquid water is more absorbing than ice from 16 to 25 μ m. MIXCRA retrievals are only valid for optically thin (τ(visible) < 6) single-layer Clouds when the precipitable water vapor is less than 1 cm. MIXCRA was applied to the Atmospheric Emitted Radiance Interferometer (AERI) data that were collected during the Surface Heat Budget of the Arctic Ocean (SHEBA) experiment from November 1997 to May 1998, where 63% of all of the cloudy scenes above the SHEBA site met this specification. The retrieval determined that approximately 48% of these clouds were mixed phase and that a significant number of clouds (during all 7 months) contained liquid water, even for cloud temperatures as low as 240 K. The retrieved distributions of effective radii for water and ice particles in single-phase clouds are shown to be different than the effective radii in mixed-phase clouds. C1 Pacific NW Natl Lab, Phys Grp, Richland, WA 99352 USA. RP Turner, DD (reprint author), Pacific NW Natl Lab, Phys Grp, POB 999,MS K9-24, Richland, WA 99352 USA. EM dave.turner@pnl.gov NR 57 TC 82 Z9 83 U1 0 U2 8 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0894-8763 J9 J APPL METEOROL JI J. Appl. Meteorol. PD APR PY 2005 VL 44 IS 4 BP 427 EP 444 DI 10.1175/JAM2208.1 PG 18 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 924JP UT WOS:000228975400003 ER PT J AU Armitage, R Yang, Q Weber, ER AF Armitage, R Yang, Q Weber, ER TI Analysis of the carbon-related "blue" luminescence in GaN SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID MOLECULAR-BEAM EPITAXY; YELLOW LUMINESCENCE; DOPED GAN; PHOTOLUMINESCENCE; VACANCIES; LAYERS AB The properties of a broad 2.86-eV photoluminescence band in carbon-doped GaN were studied as a function of C-doping level, temperature, and excitation density. For GaN:C grown by molecular-beam epitaxy (MBE) the 2.86-eV band is observed in Si codoped layers exhibiting high n-type conductivity as well as in semi-insulating material. The peak position of the "blue" luminescence is constant with temperature in MBE GaN, but in semi-insulating GaN:C grown by metal-organic vapor-phase epitaxy it shifts from 3.0 to 2.86 eV with increasing temperature in the range of 12-150 K. The 2.86-eV band undergoes thermal quenching from 200 to 400 K with an activation energy of similar to 150 meV. The characteristics of the 2.86-eV band are consistent with deep donor-deep acceptor recombination originating from carbon defects, under the assumption that the concentrations of these defects are low compared to the total carbon concentration in heavily C-doped samples. For low excitation density (4 W/cm(2)) the 2.86-eV band intensity decreases as a function of HeCd laser exposure time over a period of many minutes. However, no transient effects are observed for 20 W/cm(2) excitation density. The transient behavior can be best explained using a model based on charge-trapping-induced Coulomb barriers which impede the diffusion of carriers to the 2.86-eV luminescence centers. (C) 2005 American Institute of Physics. C1 Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Sci Mat, Berkeley, CA 94720 USA. RP Armitage, R (reprint author), Kyoto Univ, Dept Elect Sci & Engn, Kyoto, Japan. EM weber@socrates.berkeley.edu NR 24 TC 35 Z9 36 U1 2 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 1 PY 2005 VL 97 IS 7 AR 073524 DI 10.1063/1.1856224 PG 9 WC Physics, Applied SC Physics GA 915GX UT WOS:000228287300035 ER PT J AU Buonassisi, T Istratov, AA Heuer, M Marcus, MA Jonczyk, R Isenberg, J Lai, B Cai, ZH Heald, S Warta, W Schindler, R Willeke, G Weber, ER AF Buonassisi, T Istratov, AA Heuer, M Marcus, MA Jonczyk, R Isenberg, J Lai, B Cai, ZH Heald, S Warta, W Schindler, R Willeke, G Weber, ER TI Synchrotron-based investigations of the nature and impact of iron contamination in multicrystalline silicon solar cells SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID X-RAY MICROPROBE; LOCK-IN THERMOGRAPHY; CRYSTALLINE SILICON; TRANSITION-METALS; CHEMICAL NATURE; GRAIN-BOUNDARY; SHAPED SILICON; POWER LOSSES; COPPER; RECOMBINATION AB Synchrotron-based microprobe techniques were used to obtain systematic information about the size distribution, spatial distribution, shape, electrical activity, chemical states, and origins of iron-rich impurity clusters in multicrystalline silicon (mc-Si) materials used for cost-effective solar cells. Two distinct groups of iron-rich cluster have been identified in both materials: (a) the occasional large (diameter >= 1 mu m) particles, either oxidized and/or present with multiple other metal species reminiscent of stainless steels or ceramics, which are believed to originate from a foreign source such as the growth surfaces, production equipment, or feedstock, and (b) the more numerous, homogeneously distributed, and smaller iron silicide precipitates (diameter <= 800 nm, often <= 100 nm), originating from a variety of possible formation mechanisms involving atomically dissolved iron in the melt or in the crystal. It was found that iron silicide nanoprecipitates account for bulk Fe concentrations as high as 10(14)-10(15) cm(-3) and can have a large negative impact on device performance because of their high spatial density and homogeneous distribution along structural defects. The large (diameter >= 1 mu m) particles, while containing elevated amounts-if not the majority-of metals, are low in spatial density and thus deemed to have a low direct impact on cell performance, although they may have a large indirect impact via the dissolution of Fe, thus assisting the formation of iron silicide nanoprecipitates. These results demonstrate that it is not necessarily the total Fe content that limits the mc-Si device performance but the distribution of Fe within the material. (C) 2005 American Institute of Physics. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Mat Sci & Engn, Elect Res Lab, Berkeley, CA 94720 USA. Univ Leipzig, D-04275 Leipzig, Germany. Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. GE Energy, Newark, DE 19702 USA. Fraunhofer Inst Solar Energy Syst, D-79110 Freiburg, Germany. Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Univ Calif Berkeley, Lawrence Berkeley Lab, Mail Stop 62R0203,1 Cyclotron Rd, Berkeley, CA 94720 USA. EM buonassisi@alumni.nd.edu RI Buonassisi, Tonio/J-2723-2012 NR 56 TC 64 Z9 65 U1 1 U2 13 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 1 PY 2005 VL 97 IS 7 AR 074901 DI 10.1063/1.1866489 PG 11 WC Physics, Applied SC Physics GA 915GX UT WOS:000228287300094 ER PT J AU Deshpande, DC Malshe, AP Stach, EA Radmilovic, V Alexander, D Doerr, D Hirt, D AF Deshpande, DC Malshe, AP Stach, EA Radmilovic, V Alexander, D Doerr, D Hirt, D TI Investigation of femtosecond laser assisted nano and microscale modifications in lithium niobate SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID TRANSMISSION ELECTRON-MICROSCOPY; 3-DIMENSIONAL OPTICAL MEMORY; TRANSPARENT MATERIALS; PULSE ABLATION; WAVE-GUIDES; UV LASER; SILICON; SURFACE; GRATINGS; GLASSES AB A study of the physicochemical modifications at micro and nano scales as a result of femtosecond laser processing is essential to explore the viability of this process to write surface and subsurface structures in transparent media. To this end, scanning probe and transmission electron microscopy and spectroscopy techniques were used to study these modifications in lithium niobate. A variable power Ti:Sapphire system (800 nm,300 fs) was used to determine the ablation threshold of (110) lithium niobate, and to write these structures in the substrate for subsequent analysis. Higher processing energies were used to amplify the laser-induced effects for a clear understanding. Evidences of a number of simultaneously occurring mechanisms such as melting, ablation, and shockwave propagation are observed in the scanning electron microscope (SEM) micrographs. X-ray diffraction (XRD), Auger and electron dispersive spectroscopy (EDS) studies indicate loss of lithium and oxygen from the immediate surface of the processed region. Raman spectroscopy analysis indicates an unchanged chemical composition in the bulk, though at a loss of crystallinity. The surface and subsurface damage structures display a different nature of the amorphous and damaged material subregions, as observed in the respective transmission electron microscopy micrographs. A variation in oxygen counts is observed in the amorphous subregions, indicative of oxygen liberation and elemental segregation during the process. The oblate subsurface structure contains a void at the top, indicative of localized explosive melting and rapid quenching of the affected material. Thus, femtosecond laser writing produces different structures on the surface and the subsurface of the material. These results provide physicochemical insight towards writing chemically and spatially precise structures using femtosecond lasers, and will have direct implications in optical memory and waveguide writing and related applications. (C) 2005 American Institute of Physics. C1 Univ Arkansas, Dept Mech Engn, SERC Durable Micro & Nano Syst, Fayetteville, AR 72701 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA. Univ Nebraska, SERC Durable Micro & Nano Syst, Lincoln, NE 68588 USA. Univ Nebraska, Ctr Electroopt, Lincoln, NE 68588 USA. Mat Res Lab, Struthers, OH 44471 USA. RP Malshe, AP (reprint author), Univ Arkansas, Dept Mech Engn, SERC Durable Micro & Nano Syst, Fayetteville, AR 72701 USA. EM apm2@engr.uark.edu RI Stach, Eric/D-8545-2011 OI Stach, Eric/0000-0002-3366-2153 NR 30 TC 47 Z9 48 U1 0 U2 16 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 2005 VL 97 IS 7 AR 074316 DI 10.1063/1.1882763 PG 9 WC Physics, Applied SC Physics GA 915GX UT WOS:000228287300088 ER PT J AU Dhar, S Feldman, LC Chang, KC Cao, Y Porter, LM Bentley, J Williams, JR AF Dhar, S Feldman, LC Chang, KC Cao, Y Porter, LM Bentley, J Williams, JR TI Nitridation anisotropy in SiO2/4H-SiC SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID SILICON-CARBIDE; NITRIC-OXIDE; BAND-EDGES; INTERFACE; ENERGY; DECOMPOSITION; SPECTROSCOPY; OXIDATION; POLYTYPE; STATES AB Nitrogen incorporation at the SiO2/SiC interface due to annealing in NO is measured and shown to be a strong function of crystal face. The annealing process involves two major solid-state chemical reactions: nitrogen uptake at the interface and N loss associated with second-order oxidation. An ad hoc kinetics model explains the experimental observations of anisotropy and nitrogen saturation. (C) 2005 American Institute of Physics. C1 Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. Carnegie Mellon Univ, Dept Mat Sci & Engn, Pittsburgh, PA 15213 USA. Oak Ridge Natl Lab, Div Met & Ceram, Oak Ridge, TN 37831 USA. Auburn Univ, Dept Phys, Auburn, AL 36849 USA. RP Vanderbilt Univ, Dept Phys & Astron, 221 Kirkland Hall, Nashville, TN 37235 USA. EM sarit.dhar@vanderbilt.edu RI Porter, Lisa/C-9729-2010 OI Porter, Lisa/0000-0002-0970-0420 NR 26 TC 11 Z9 11 U1 0 U2 6 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 1 PY 2005 VL 97 IS 7 AR 074902 DI 10.1063/1.1863423 PG 6 WC Physics, Applied SC Physics GA 915GX UT WOS:000228287300095 ER PT J AU Hu, J Stradins, P Branz, HM Wang, Q Huie, B Weinberg-Wolf, JR Harley, ECT Wang, KD Han, DX AF Hu, J Stradins, P Branz, HM Wang, Q Huie, B Weinberg-Wolf, JR Harley, ECT Wang, KD Han, DX TI Switching behavior of microcrystalline silicon deposited by hot-wire chemical vapor deposition SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID AMORPHOUS-SILICON; RAMAN AB We study current-induced changes in electrical and structural properties of a p-type microcrystalline silicon (mu c-Si) films sandwiched between two metal contacts. After switching, the resistance decreases from above 1 M Omega to below 1 k Omega. The voltage-current characteristics show a saturated voltage region where irreversible changes occur gradually. In this region, transient temperature measurements show that film temperature rises considerably. The resistance of the switched state depends strongly on device area, suggesting that structural changes responsible for switching involve a large fraction of the device area. Micro-Raman studies show that film crystallinity increases during switching. This increase in crystallinity may indicate that the electrical switching process involves the formation of percolation paths through an amorphous incubation layer formed during film growth. This switching mechanism is quite different from the metallic filament formation observed in amorphous silicon switches. (C) 2005 American Institute of Physics. C1 Natl Renewable Energy Lab, Golden, CO 80401 USA. Univ N Carolina, Dept Phys & Astron, Chapel Hill, NC 27599 USA. Boston Coll, Dept Phys, Chestnut Hill, MA 02467 USA. RP MVSyst Inc, 17301 W Colfax Ave,Unit 305, Golden, CO 80401 USA. EM qi_wang@nrel.gov NR 14 TC 0 Z9 0 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0021-8979 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD APR 1 PY 2005 VL 97 IS 7 AR 073709 DI 10.1063/1.1866486 PG 6 WC Physics, Applied SC Physics GA 915GX UT WOS:000228287300044 ER PT J AU Jaffe, JE Droubay, TC Chambers, SA AF Jaffe, JE Droubay, TC Chambers, SA TI Oxygen vacancies and ferromagnetism in CoxTi1-xO2-x-y SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID INITIO MOLECULAR-DYNAMICS; DOPED TIO2 ANATASE; EPITAXIAL-GROWTH; ELECTRON-GAS; TRANSITION; METALS; PSEUDOPOTENTIALS; ENERGY AB Cobalt-doped titanium dioxide, or CTO, has emerged in the past 2 years as a semiconducting, transparent, room-temperature ferromagnet. Very recently it has been shown that the magnetism in CTO often originates in surface nanoparticles or Co-rich regions that have a much-enhanced substitutional Co content up to 40% of Ti sites, so that magnetic CTO is not a true dilute magnetic semiconductor (DMS), but rather a fairly high-density spin system. In this work we describe a computational study of Co-rich CTO using the generalized gradient approximation to the density functional theory within the supercell model. Our total energy calculations show a strong tendency for Co-atom clustering or segregation on Ti sites. There is also a strong tendency for the oxygen vacancies to form complexes with the Co atoms. In addition, we find that the oxygen stoichiometry plays an essential role in determining the system's magnetic order. The largest ordered moments require at least enough oxygen vacancies to put all of the Co atoms in the +2 charge state, as they indeed appear to be experimentally, so that the conventional DMS mechanism could only apply via n-type carriers. We find a small but not negligible spin density associated with Ti atoms near the vacancy sites, suggesting an F-center-mediated interaction between the much larger Co moments. We also present experimental data showing that the ferromagnetic remanence and coercive field increase with the n-type conductivity. (C) 2005 American Institute of Physics. C1 Pacific NW Natl Lab, Fundamental Sci Directorate, Div Chem Sci, Richland, WA 99352 USA. RP Pacific NW Natl Lab, Fundamental Sci Directorate, Div Chem Sci, POB 999, Richland, WA 99352 USA. EM john.jaffe@pnl.gov RI Droubay, Tim/D-5395-2016 OI Droubay, Tim/0000-0002-8821-0322 NR 21 TC 88 Z9 92 U1 3 U2 22 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 1 PY 2005 VL 97 IS 7 AR 073908 DI 10.1063/1.1868056 PG 6 WC Physics, Applied SC Physics GA 915GX UT WOS:000228287300058 ER PT J AU Kalinin, SV Gruverman, A Rodriguez, BJ Shin, J Baddorf, AP Karapetian, E Kachanov, M AF Kalinin, SV Gruverman, A Rodriguez, BJ Shin, J Baddorf, AP Karapetian, E Kachanov, M TI Nanoelectromechanics of polarization switching in piezoresponse force microscopy SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID FERROELECTRIC DOMAIN; NANOSTRUCTURES; REVERSAL AB Nanoscale polarization switching in ferroelectric materials by piezoresponse force microscopy in weak and strong indentation limits is analyzed using exact solutions for coupled electroelastic fields under the tip. Tip-induced domain switching is mapped on the Landau theory of phase transitions, with domain size as an order parameter. For a point charge interacting with a ferroelectric surface, switching by both first and the second order processes is possible, depending on the charge-surface separation. For a realistic tip, the domain nucleation process is first order in charge magnitude and polarization switching occurs only above a certain critical tip bias. In pure ferroelectric or ferroelastic switching, the late stages of the switching process can be described using a point charge model and arbitrarily large domains can be created. However, description of domain nucleation and the early stages of growth process when the domain size is comparable with the tip curvature radius (weak indentation) or the contact radius (strong indentation) requires the exact field structure. For higher order ferroic switching (e.g., ferroelectroelastic), the domain size is limited by the tip-sample contact area, thus allowing precise control of domain size. (C) 2005 American Institute of Physics. C1 Oak Ridge Natl Lab, Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. N Carolina State Univ, Dept Mat Sci & Engn, Raleigh, NC 27695 USA. Suffolk Univ, Dept Math & Comp Sci, Boston, MA 02108 USA. Tufts Univ, Dept Mech Engn, Medford, MA 02155 USA. RP Oak Ridge Natl Lab, Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. EM sergei2@ornl.gov RI Kalinin, Sergei/I-9096-2012; Rodriguez, Brian/A-6253-2009; Gruverman, alexei/P-3537-2014; Kachanov, Mark/F-7571-2015; Baddorf, Arthur/I-1308-2016 OI Kalinin, Sergei/0000-0001-5354-6152; Rodriguez, Brian/0000-0001-9419-2717; Gruverman, alexei/0000-0003-0492-2750; Kachanov, Mark/0000-0002-6354-0341; Baddorf, Arthur/0000-0001-7023-2382 NR 25 TC 38 Z9 39 U1 0 U2 17 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 1 PY 2005 VL 97 IS 7 AR 074305 DI 10.1063/1.1866483 PG 6 WC Physics, Applied SC Physics GA 915GX UT WOS:000228287300077 ER PT J AU Kaspar, TC Droubay, T Wang, CM Heald, SM Lea, AS Chambers, SA AF Kaspar, TC Droubay, T Wang, CM Heald, SM Lea, AS Chambers, SA TI Co-doped anatase TiO2 heteroepitaxy on Si(001) SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID ROOM-TEMPERATURE FERROMAGNETISM; TITANATE THIN-FILMS; EPITAXIAL-GROWTH; BAND OFFSETS; SEMICONDUCTORS; OXIDES; SILICON; SI; RUTILE AB Pure anatase TiO2 and CoxTi1-xO2 (0.01 < x < 0.04) epitaxial thin films were deposited by oxygen-plasma-assisted molecular beam epitaxy on Si(001) for evaluation as a potential dilute magnetic semiconductor material suitable for Si-based spintronic devices. Epitaxial growth on Si(001) was facilitated by the deposition of 1/4 or 1/2 ML Sr metal on the clean Si(001) surface to form an oxidation resistant silicide layer, followed by deposition of a thin SrTiO3 buffer layer. Using 1/2 ML Sr metal to form the silicide allowed the deposition of 10 ML SrTiO3 without oxidation of the Si interface. Epitaxial anatase could be grown on this heterostructure, although use of the oxygen plasma during deposition resulted in significant SiO2 formation. Pure anatase films consisted of epitaxial anatase surface particles on a continuous anatase film. For Co-doped films, Co segregation to surface particles of epitaxial anatase was observed by Auger electron spectroscopy and transmission electron microscopy (TEM); faceting of the particles was observed for low Co doping concentrations. Although no secondary phases containing Co were observed in Co-doped anatase films by x-ray diffraction or TEM, x-ray absorption near edge spectroscopy indicated Co was present in the films as a mixture of Co(0), Co(II), and Co(III). All samples were ferromagnetic at room temperature; for lower Co concentrations, the ferromagnetic remanence (9%) and coercive field (100 Oe) were similar to phase-pure Co:TiO2/LaAlO3. However, the presence of Co(0) under strongly oxidizing growth conditions known to oxidize the Si interface implies that under no deposition conditions can Co metal be eliminated while simultaneously protecting the Si interface from oxidation. (C) 2005 American Institute of Physics. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Pacific NW Natl Lab, Richland, WA 99352 USA. EM tiffany.kaspar@pnl.gov RI Droubay, Tim/D-5395-2016; OI Droubay, Tim/0000-0002-8821-0322; Lea, Alan/0000-0002-4232-1553 NR 44 TC 26 Z9 27 U1 3 U2 21 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 1 PY 2005 VL 97 IS 7 AR 073511 DI 10.1063/1.1868854 PG 10 WC Physics, Applied SC Physics GA 915GX UT WOS:000228287300022 ER PT J AU Knudson, MD Asay, JR Deeney, C AF Knudson, MD Asay, JR Deeney, C TI Adiabatic release measurements in aluminum from 240- to 500-GPa states on the principal Hugoniot SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID EQUATION-OF-STATE; SHOCK-WAVE EXPERIMENTS; IMPACT VELOCITIES; GIANT PLANETS; HIGH PRESSURE; FLYER PLATES; COMPRESSION; DEUTERIUM; MBAR; TANTALUM AB Adiabatic release measurements were performed on aluminum (6061-T6) from similar to 240- to500-GPa(similar to 2.4-5 Mbar) states on the principal Hugoniot. Using a magnetically accelerated flyer plate technique, capable of launching macroscopic aluminum flyer plates (approximately 12x25 mm in lateral dimension and similar to 300 mu m in thickness) to velocities in excess of 20 km/s, direct impact experiments were performed on a low shock impedance, 200-mg/cc silica aerogel to determine the aerogel Hugoniot in the pressure range of similar to 30-75 GPa. Release experiments were then performed in which the aerogel was mounted onto an aluminum base plate, and the initial shock in the base plate was transmitted to the aerogel sample. Given the measured aerogel shock velocities from the release experiments and the measured aerogel Hugoniot from the direct impact experiments, release states on release adiabats of aluminum were ascertained. The results were compared to several equation of state models for aluminum, and a rigorous statistical analysis was performed. The statistical analysis enabled the suitability of these various models in describing the release response of hot, liquid states to be determined. This study enhances our understanding of the release response of aluminum for high-pressure states on the Hugoniot and lends confidence to the use of aluminum as a standard material in impedance-matching experiments. (C) 2005 American Institute of Physics. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM mdknuds@sandia.gov NR 63 TC 38 Z9 41 U1 0 U2 8 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 1 PY 2005 VL 97 IS 7 AR 073514 DI 10.1063/1.1863421 PG 14 WC Physics, Applied SC Physics GA 915GX UT WOS:000228287300025 ER PT J AU Peterson, RS Baker, PA Catledge, SA Vohra, YK Weir, ST AF Peterson, RS Baker, PA Catledge, SA Vohra, YK Weir, ST TI Optical defect centers and surface morphology of isotopically enriched diamond layers in designer diamond anvils SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID CHEMICAL-VAPOR-DEPOSITION; RAMAN-SPECTRUM; C-13 DIAMOND; MECHANISM; GROWTH; SENSOR AB We have studied optical defect centers and surface morphology of isotopically enriched layers grown on diamond anvils by microwave plasma chemical vapor deposition for applications as designer diamond anvils in high-pressure diamond anvil cell devices. Various mixtures of methane isotopes were used to grow homoepitaxial diamond with C-13 molar fractions of 0.01, 0.41, 0.83, and 0.99 as determined from Raman spectroscopy. Defect centers were studied at temperatures between 80 and 320 K using micro-photoluminescence (PL) spectroscopy with an argon ion and krypton laser excitation source. The defect spectra were dominated by zero phonon lines (ZPL) from nitrogen-related defect centers at nominal energies of 1.945 eV (640 nm defect) and 2.156 eV (575 nm defect), especially for the non-(100) surfaces. Polished (100) surfaces fluoresced weakly. ZPL's at 1.77 and 1.68 eV are observed, but not for all isotopically mixed samples. The 1.77 eV ZPL appears to be associated from the original diamonds, while the 1.68 eV ZPL is known to originate with silicon-based defects. Atomic force microscopy of as-grown isotopically enriched layers show rough growth steps in areas with surface roughness of hundred nanometers and smooth areas with surface roughness of few nanometers. Our studies indicate that (100) polished surfaces of isotopically enriched designer diamonds with low concentration of nitrogen defect centers can be fabricated for a variety of applications in high pressure research. (C) 2005 American Institute of Physics. C1 Univ Alabama, Dept Phys, Birmingham, AL 35294 USA. Univ South, Dept Phys & Astron, Sewanee, TN 37383 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Peterson, RS (reprint author), Univ Alabama, Dept Phys, Birmingham, AL 35294 USA. EM ykvohra@uab.edu RI Weir, Samuel/H-5046-2012; OI Baker, Paul/0000-0002-2875-2760 NR 23 TC 2 Z9 2 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 1 PY 2005 VL 97 IS 7 AR 073504 DI 10.1063/1.1872203 PG 8 WC Physics, Applied SC Physics GA 915GX UT WOS:000228287300015 ER PT J AU Wang, CM Shutthanandan, V Thevuthasan, S Droubay, T Chambers, SA AF Wang, CM Shutthanandan, V Thevuthasan, S Droubay, T Chambers, SA TI Microstructure of Co-doped TiO2(110) rutile by ion implantation SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID PRECIPITATED AU NANOCLUSTERS; TIO2 THIN-FILMS; ROOM-TEMPERATURE; FERROMAGNETISM; CU; COBALT; GROWTH; LAYERS; SEMICONDUCTORS; STABILIZATION AB Co-doped rutile TiO2 was synthesized by injecting Co ions into single crystal rutile TiO2 using high energy ion implantation. Microstructures of the implanted specimens were studied in detail using high-resolution transmission electron microscopy (HRTEM), energy dispersive x-ray spectroscopy, electron diffraction, and HRTEM image simulations. The spatial distribution and conglomeration behavior of the implanted Co ions, as well as the point defect distributions induced by ion implantation, show strong dependences on implantation conditions. Uniform distribution of Co ions in the rutile TiO2 lattice was obtained by implanting at 1075 K with a Co ion fluence of 1.25x10(16) Co/cm(2). Implanting at 875 K leads to the formation of Co metal clusters. The precipitated Co metal clusters and surrounding TiO2 matrix exhibit the orientation relationships Co < 110 >parallel to TiO2[001] and Co{111}parallel to TiO2(110). A structural model representing the interface between Co metal clusters and TiO2 is developed based on HRTEM imaging and image simulations. (C) 2005 American Institute of Physics. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA. EM chongmin.wang@pnl.gov RI Droubay, Tim/D-5395-2016 OI Droubay, Tim/0000-0002-8821-0322 NR 32 TC 12 Z9 12 U1 3 U2 14 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 1 PY 2005 VL 97 IS 7 AR 073502 DI 10.1063/1.1866482 PG 6 WC Physics, Applied SC Physics GA 915GX UT WOS:000228287300013 ER PT J AU Yuan, Z Li, L Han, X Wan, S Zhang, W AF Yuan, Z Li, L Han, X Wan, S Zhang, W TI Variation in nitrogen economy of two Stipa species in the semiarid region of northern China SO JOURNAL OF ARID ENVIRONMENTS LA English DT Article DE habitat preference; mean residence time; nitrogen-use efficiency; nitrogen productivity; plant strategies ID NUTRIENT-USE EFFICIENCY; LEAF LIFE-SPAN; MINERAL-NUTRITION; WILD PLANTS; RESORPTION; CANOPY; DETERMINANTS; HABITATS; GROWTH; LEAVES AB How effectively plants utilize nitrogen (N), the most limiting nutrient in natural ecosystems, will largely determine the success of plants in intra- and inter-specific competition. Theory suggests that there should be a trade-off between the two components of nitrogen-use efficiency (NUE, total net primary production per unit N absorbed), i.e., nitrogen productivity (A) and mean residence time (MRT) of nitrogen in plant tissues, and that this trade-off depends on the N availability of the habitats. A field experiment was conducted in 20 grasslands in the semiarid region of northern China to examine A, MRT and NUE in two Stipa species (S. grandis and S. krylovii) in habitats with different soil N availability. Our results showed substantial differences in the N economy between S. grandis in dry and N-poor habitats and S. krylovii in wetter and N-rich habitats. S. grandis had a significantly higher A but relatively lower MRT than the less productive species, S. krylovii. NUE of S. grandis was higher than that of S. krylovii due to the fact that the increment of A was higher than the decrement of MRT. Within each species, no parameter correlated with the concentration of total soil nitrogen. There was a negative relationship between A and MRT within species in relation to soil water and nitrogen. Our results suggest that the trade-off between A and MRT depends on the range of soil N availability of the habitats and can apply to grassland vegetations with a narrow range of soil N availability. (C) 2004 Elsevier Ltd. All rights reserved. C1 Chinese Acad Sci, Ctr Ecol, Inst Bot, Lab Quantitat Vegetat Ecol, Beijing 100093, Peoples R China. Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. Flinders Univ S Australia, Sch Biol Sci, Adelaide, SA 5001, Australia. RP Li, L (reprint author), Chinese Acad Sci, Ctr Ecol, Inst Bot, Lab Quantitat Vegetat Ecol, 20 Nanxincun, Beijing 100093, Peoples R China. EM zyyuan@ns.ibcas.ac.cn; linghao@ns.ibcas.ac.cn RI Wan, Shiqiang/B-5799-2009; Zhang, Wen-Hao/B-5805-2009 OI Zhang, Wen-Hao/0000-0003-2708-2221 NR 31 TC 7 Z9 10 U1 0 U2 7 PU ACADEMIC PRESS LTD ELSEVIER SCIENCE LTD PI LONDON PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND SN 0140-1963 J9 J ARID ENVIRON JI J. Arid. Environ. PD APR PY 2005 VL 61 IS 1 BP 13 EP 25 DI 10.1016/j.jaridenv.2004.08.002 PG 13 WC Ecology; Environmental Sciences SC Environmental Sciences & Ecology GA 892KH UT WOS:000226648900002 ER EF