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Sample records for mg 1-1 day-1

  1. Positron annihilation 2D-ACAR study of semi-coherent Li nanoclusters in MgO(1 0 0) and MgO(1 1 0)

    International Nuclear Information System (INIS)

    Falub, C.V.; Mijnarends, P.E.; Eijt, S.W.H.; Huis, M.A. van; Veen, A. van; Schut, H.

    2002-01-01

    Depth selective positron annihilation two-dimensional angular correlation of annihilation radiation (2D-ACAR) is used to determine the electronic structure of Li nanoclusters formed by implantation of 10 16 cm -2 6 Li ions (with an energy of 30 keV) in MgO(1 0 0) and (1 1 0) crystals, and subsequently annealed at 950 K. The 2D-ACAR spectra of Li-implanted MgO obtained with 4 keV positrons reveal the semi-coherent ordering state of the embedded metallic Li nanoclusters. The results agree with ab initio Korringa-Kohn-Rostoker calculations

  2. Positron annihilation 2D-ACAR study of semi-coherent Li nanoclusters in MgO(1 0 0) and MgO(1 1 0)

    Energy Technology Data Exchange (ETDEWEB)

    Falub, C.V. E-mail: c.falub@iri.tudelft.nl; Mijnarends, P.E.; Eijt, S.W.H.; Huis, M.A. van; Veen, A. van; Schut, H

    2002-05-01

    Depth selective positron annihilation two-dimensional angular correlation of annihilation radiation (2D-ACAR) is used to determine the electronic structure of Li nanoclusters formed by implantation of 10{sup 16} cm{sup -2} {sup 6}Li ions (with an energy of 30 keV) in MgO(1 0 0) and (1 1 0) crystals, and subsequently annealed at 950 K. The 2D-ACAR spectra of Li-implanted MgO obtained with 4 keV positrons reveal the semi-coherent ordering state of the embedded metallic Li nanoclusters. The results agree with ab initio Korringa-Kohn-Rostoker calculations.

  3. Positron annihilation 2D-ACAR study of semi-coherent Li nanoclusters in MgO( 1 0 0 ) and MgO( 1 1 0 )

    Science.gov (United States)

    Falub, C. V.; Mijnarends, P. E.; Eijt, S. W. H.; van Huis, M. A.; van Veen, A.; Schut, H.

    2002-05-01

    Depth selective positron annihilation two-dimensional angular correlation of annihilation radiation (2D-ACAR) is used to determine the electronic structure of Li nanoclusters formed by implantation of 10 16 cm -26Li ions (with an energy of 30 keV) in MgO(1 0 0) and (1 1 0) crystals, and subsequently annealed at 950 K. The 2D-ACAR spectra of Li-implanted MgO obtained with 4 keV positrons reveal the semi-coherent ordering state of the embedded metallic Li nanoclusters. The results agree with ab initio Korringa-Kohn-Rostoker calculations.

  4. Epitaxial growth of bcc-FexCo100-x thin films on MgO(1 1 0) single-crystal substrates

    International Nuclear Information System (INIS)

    Ohtake, Mitsuru; Nishiyama, Tsutomu; Shikada, Kouhei; Kirino, Fumiyoshi; Futamoto, Masaaki

    2010-01-01

    Fe x Co 100-x (x=100, 65, 50 at%) epitaxial thin films were prepared on MgO(1 1 0) single-crystal substrates heated at 300 deg. C by ultra-high vacuum molecular beam epitaxy. The film structure and the growth mechanism are discussed. FeCo(2 1 1) films with bcc structure grow epitaxially on MgO(1 1 0) substrates with two types of variants whose orientations are rotated around the film normal by 180 deg. each other for all compositions. Fe x Co 100-x film growth follows the Volmer Weber mode. X-ray diffraction analysis indicates the out-of-plane and the in-plane lattice spacings are in agreement with the values of respective bulk Fe x Co 100-x crystals with very small errors less than ±0.4%, suggesting the strains in the films are very small. High-resolution cross-sectional transmission electron microscopy shows that periodical misfit dislocations are preferentially introduced in the film at the Fe 50 Co 50 /MgO interface along the MgO[1 1-bar 0] direction. The presence of such periodical dislocations decreases the large lattice mismatch of about -17% existing at the FeCo/MgO interface along the MgO[1 1-bar 0] direction.

  5. Epitaxial growth of bcc-Fe{sub x}Co{sub 100-x} thin films on MgO(1 1 0) single-crystal substrates

    Energy Technology Data Exchange (ETDEWEB)

    Ohtake, Mitsuru, E-mail: ohtake@futamoto.elect.chuo-u.ac.j [Faculty of Science and Engineering, Chuo University, 1-13-27 Kasuga, Bunkyo-ku, Tokyo 112-8551 (Japan); Nishiyama, Tsutomu; Shikada, Kouhei [Faculty of Science and Engineering, Chuo University, 1-13-27 Kasuga, Bunkyo-ku, Tokyo 112-8551 (Japan); Kirino, Fumiyoshi [Graduate School of Fine Arts, Tokyo National University of Fine Arts and Music, 12-8 Ueno-koen, Taito-ku, Tokyo 110-8714 (Japan); Futamoto, Masaaki [Faculty of Science and Engineering, Chuo University, 1-13-27 Kasuga, Bunkyo-ku, Tokyo 112-8551 (Japan)

    2010-07-15

    Fe{sub x}Co{sub 100-x} (x=100, 65, 50 at%) epitaxial thin films were prepared on MgO(1 1 0) single-crystal substrates heated at 300 deg. C by ultra-high vacuum molecular beam epitaxy. The film structure and the growth mechanism are discussed. FeCo(2 1 1) films with bcc structure grow epitaxially on MgO(1 1 0) substrates with two types of variants whose orientations are rotated around the film normal by 180 deg. each other for all compositions. Fe{sub x}Co{sub 100-x} film growth follows the Volmer Weber mode. X-ray diffraction analysis indicates the out-of-plane and the in-plane lattice spacings are in agreement with the values of respective bulk Fe{sub x}Co{sub 100-x} crystals with very small errors less than +-0.4%, suggesting the strains in the films are very small. High-resolution cross-sectional transmission electron microscopy shows that periodical misfit dislocations are preferentially introduced in the film at the Fe{sub 50}Co{sub 50}/MgO interface along the MgO[1 1-bar 0] direction. The presence of such periodical dislocations decreases the large lattice mismatch of about -17% existing at the FeCo/MgO interface along the MgO[1 1-bar 0] direction.

  6. FENDL/MG. Library of multigroup cross sections in GENDF and MATXS format for neutron-photon transport calculations. Version 1.1 of March 1995. Summary documentation

    International Nuclear Information System (INIS)

    Pashchenko, A.B.; Wienke, H.; Ganesan, S.

    1996-01-01

    Selected neutron reaction nuclear data evaluations and photon-atomic interaction cross section libraries for elements of interest to the IAEA's program on Fusion Evaluated Nuclear Data Library (FENDL) have been processed into GENDF and MATXS format using the NJOY system by R.E. MacFarlane, in VITAMIN-J group structure with VITAMIN-E weighting spectrum. This document summarizes the resulting multigroup data library FENDL/MG version 1.1. The data are available costfree, upon request from the IAEA Nuclear Data Section, online or on magnetic tape. (author). 7 refs, 1 tab

  7. Structurally characterized 1,1,3,3-tetramethylguanidine solvated magnesium aryloxide complexes: [Mg(mu-OEt)(DBP)(H-TMG)]2, [Mg(mu-OBc)(DBP)(H-TMG)]2, [Mg(mu-TMBA)(DBP)(H-TMG)]2, [Mg(mu-DPP)(DBP)(H-TMG)]2, [Mg(BMP)2(H-TMG)2], [Mg(O-2,6-Ph2C6H3)2 (H-TMG)2].

    Science.gov (United States)

    Monegan, Jessie D; Bunge, Scott D

    2009-04-06

    The synthesis and structural characterization of several 1,1,3,3-tetramethylguanidine (H-TMG) solvated magnesium aryloxide complexes are reported. Bu(2)Mg was successfully reacted with H-TMG, HOC(6)H(3)(CMe(3))(2)-2,6 (H-DBP), and either ethanol, a carboxylic acid, or diphenyl phosphate in a 1:1 ratio to yield the corresponding [Mg(mu-L)(DBP)(H-TMG)](2) where L = OCH(2)CH(3) (OEt, 1), O(2)CC(CH(3))(3) (OBc, 2), O(2)C(C(6)H(2)-2,4,6-(CH(3))(3)) (TMBA, 3), or O(2)P(OC(6)H(5))(2) (DPP, 4). Bu(2)Mg was also reacted with two equivalents of H-TMG and HOC(6)H(3)(CMe(3))-2-(CH(3))-6 (BMP) or HO-2,6-Ph(2)C(6)H(3) to yield [Mg(BMP)(2)(H-TMG)(2)] (5) and [Mg(O-2,6-Ph(2)C(6)H(3))(2)(H-TMG)(2)] (6). Compounds 1-6 were characterized by single-crystal X-ray diffraction. Polymerization of l- and rac-lactide with 1 was found to generate polylactide (PLA). A discussion concerning the relevance of compounds 2 - 4 to the structure of Mg-activated phosphatase enzymes is also provided. The bulk powders for all complexes were found to be in agreement with the crystal structures based on elemental analyses, FT-IR spectroscopy, and (1)H, (13)C and (31)P NMR studies.

  8. AFFECTS OF MECHANICAL MILLING AND METAL OXIDE ADDITIVES ON SORPTION KINETICS OF 1:1 LiNH2/MgH2 MIXTURE

    Energy Technology Data Exchange (ETDEWEB)

    Erdy, C.; Anton, D.; Gray, J.

    2010-12-08

    The destabilized complex hydride system composed of LiNH{sub 2}:MgH{sub 2} (1:1 molar ratio) is one of the leading candidates of hydrogen storage with a reversible hydrogen storage capacity of 8.1 wt%. A low sorption enthalpy of {approx}32 kJ/mole H{sub 2} was first predicted by Alapati et al. utilizing first principle density function theory (DFT) calculations and has been subsequently confirmed empirically by Lu et al. through differential thermal analysis (DTA). This enthalpy suggests that favorable sorption kinetics should be obtainable at temperatures in the range of 160 C to 200 C. Preliminary experiments reported in the literature indicate that sorption kinetics are substantially lower than expected in this temperature range despite favorable thermodynamics. Systematic isothermal and isobaric sorption experiments were performed using a Sievert's apparatus to form a baseline data set by which to compare kinetic results over the pressure and temperature range anticipated for use of this material as a hydrogen storage media. Various material preparation methods and compositional modifications were performed in attempts to increase the kinetics while lowering the sorption temperatures. This paper outlines the results of these systematic tests and describes a number of beneficial additions which influence kinetics as well as NH{sub 3} formation.

  9. Affects of Mechanical Milling and Metal Oxide Additives on Sorption Kinetics of 1:1 LiNH2/MgH2 Mixture

    Directory of Open Access Journals (Sweden)

    Donald L. Anton

    2011-05-01

    Full Text Available The destabilized complex hydride system composed of LiNH2:MgH2 (1:1 molar ratio is one of the leading candidates of hydrogen storage with a reversible hydrogen storage capacity of 8.1 wt%. A low sorption enthalpy of ~32 kJ/mole H2 was first predicted by Alapati et al. utilizing first principle density function theory (DFT calculations and has been subsequently confirmed empirically by Lu et al. through differential thermal analysis (DTA. This enthalpy suggests that favorable sorption kinetics should be obtainable at temperatures in the range of 160 °C to 200 °C. Preliminary experiments reported in the literature indicate that sorption kinetics are substantially lower than expected in this temperature range despite favorable thermodynamics. Systematic isothermal and isobaric sorption experiments were performed using a Sievert’s apparatus to form a baseline data set by which to compare kinetic results over the pressure and temperature range anticipated for use of this material as a hydrogen storage media. Various material preparation methods and compositional modifications were performed in attempts to increase the kinetics while lowering the sorption temperatures. This paper outlines the results of these systematic tests and describes a number of beneficial additions which influence kinetics as well as NH3 formation.

  10. Orientation and magnetic properties of FePt and CoPt films grown on MgO(1 1 0) single-crystal substrate by electron-beam coevaporation

    Energy Technology Data Exchange (ETDEWEB)

    Yu Minghui [Department of Materials Science and Engineering, University of Maryland, College Park, MD 20742 (United States); Department of Physics, University of Texas at Arlington, Arlington, TX 76019 (United States); Advanced Materials Research Institute, University of New Orleans, New Orleans, LA 70148 (United States)], E-mail: myu1@uno.edu; Ohguchi, H.; Zambano, A.; Takeuchi, I. [Department of Materials Science and Engineering, University of Maryland, College Park, MD 20742 (United States); Liu, J.P. [Department of Physics, University of Texas at Arlington, Arlington, TX 76019 (United States); Josell, D.; Bendersky, L.A. [Metallurgy Division, Materials Science and Engineering Laboratory, National Institute of Standards and Technology, Gaithersburg, MD 20899 (United States)

    2007-09-25

    We have studied the orientation and magnetic properties of FePt and CoPt films deposited by electron-beam co-evaporation on MgO(1 1 0) single-crystal substrates at substrate temperatures from 500 to 700 deg. C. We observed that long-range chemical ordering of the L1{sub 0} structure occurred over the entire range of substrate temperatures in FePt films and at 600 deg. C and up in CoPt films. Growth of FePt and CoPt yielded epitaxial films with cube-on-cube orientation of the pseudo-cubic L1{sub 0} lattice with respect to the cubic MgO. X-ray diffraction patterns and magnetization loops of the FePt and CoPt films revealed the existence of L1{sub 0} domains with the tetragonal c axis inclined at 45 deg. to the film plane, orientations (0 h h) and (h 0 h), as well as L1{sub 0} domains with the tetragonal c axis in the plane of the film, orientation (h h 0). The FePt and CoPt films for which X-ray diffraction indicated tetragonal phase was present all exhibited hard magnetic properties with easy axis along the [0 0 1] substrate direction as well as large in-plane magnetocrystalline anisotropy.

  11. Juba teine "1+1 = 1"

    Index Scriptorium Estoniae

    2004-01-01

    15. III Okupatsioonimuuseumis toimuva "1+1=1" teise ürituse kavast. Presentatsioonide õhtu keskendub konkreetse ruumikogemuse vahendamisele kunstis (helis, slaidi-installatsioonis, tänava-aktsioonis, skulptuuris, videos, filmis). Esinevad Cevdet Erek, Andres Lõo, Andres Kurg (arhitektuur ja interjöörid Marko Raadi filmis "Agent Sinikael") jt.

  12. Measurements of the ground-state ionization energy and wavelengths for the 1snp 1P1*-1s21S0 (n=4-9) lines of Mg XI and F VIII

    International Nuclear Information System (INIS)

    Pal'chikov, V.G.; Ya Faenov, A.; Yu Skobelev, I.

    2002-01-01

    The wavelengths of the 1snp 1 P 1 0 -1s 2 1 S 0 transitions in the He-like Mg XI (n = 4-9) and F VIII (n=4-8) have been measured in laser-produced plasmas. The accuracy of the present measurements (0.4-1.6 mA) is a large improvement over previous results. The Rydberg series is used to determine the ground-state ionization energy of F VIII and Mg XI: E i on (F VIII) 953.96±0.11 eV, E i on (Mg XI)=1761.88±0.15 eV. These experimental results are compared with theoretical data calculated by the 1/Z-expansion method and the HFR and MCDF approaches. Fairly good agreement between theory and experiment is observed with a precision up to 5x10 -5 . Radiative corrections to the 1s 2 1 S 0 state are analysed and compared with experiments. It is found that QED corrections to the ground-state ionization energy are significant at the present level of experimental accuracy. (author)

  13. Studio 1:1

    Index Scriptorium Estoniae

    2011-01-01

    Projekteerimis- ja disainistuudiost STUDIO 1:1 (Eindhoven), mis tegeleb avaliku ruumi loomise ja selle kasutamise kujundamisega. Projektidest "Linnulinn - linn lindude segakogukonna jaoks" ja ICT kogemuskeskus "De Verdieping"

  14. WOOD 1:1

    DEFF Research Database (Denmark)

    2013-01-01

    Report from 1:1 workshop at Virserum Konsthall in May 2013 with a team of Master's students from Royal Academy of Fine Arts, School of Architecture, Dpt. 3.......Report from 1:1 workshop at Virserum Konsthall in May 2013 with a team of Master's students from Royal Academy of Fine Arts, School of Architecture, Dpt. 3....

  15. Ternary gallides RE_4Rh_9Ga_5, RE_5Rh_1_2Ga_7 and RE_7Rh_1_8Ga_1_1 (RE=Y, La-Nd, Sm, Gd, Tb). Intergrowth structures with MgCu_2 and CaCu_5 related slabs

    International Nuclear Information System (INIS)

    Seidel, Stefan; Rodewald, Ute C.; Poettgen, Rainer; Janka, Oliver

    2017-01-01

    Fourteen ternary gallides RE_4Rh_9Ga_5, RE_5Rh_1_2Ga_7 and RE_7Rh_1_8Ga_1_1 (RE=Y, La-Nd, Sm, Gd, Tb) were synthesized from the elements by arc-melting, followed by different annealing sequences either in muffle or induction furnaces. The samples were characterized through Guinier powder patterns and the crystal structures of Ce_4Rh_9Ga_5, Ce_5Rh_1_2Ga_7, Ce_7Rh_1_8Ga_1_1, Nd_5Rh_1_0_._4_4_(_4_)Ga_8_._5_6_(_4_), Nd_4Rh_9Ga_5 and Gd_4Rh_9Ga_5 were refined from single crystal X-ray diffractometer data. The new gallides are the n=2, 3 and 5 members of the RE_2_+_n Rh_3_+_3_n Ga_1_+_2_n structure series in the Parthe intergrowth concept. The slabs of these intergrowth structures derive from the cubic Laves phase MgCu_2 (Mg_2Ni_3Si as ternary variant) and CaCu_5 (CeCo_3B_2 as ternary variant). Only the Nd_5Rh_1_0_._4_4_(_4_)Ga_8_._5_6_(_4_) crystal shows Rh/Ga mixing within the Laves type slabs. Magnetic susceptibility measurements reveal Pauli paramagnetism for Y_4Rh_9Ga_5 and Curie-Weiss paramagnetism for Gd_4Rh_9Ga_5 and Tb_4Rh_9Ga_5. Low-temperature data show ferromagnetic ordering at T_C=78.1 (Gd_4Rh_9Ga_5) and 55.8 K (Tb_4Rh_9Ga_5).

  16. CH{sub 4} dehydrogenation on Cu(1 1 1), Cu@Cu(1 1 1), Rh@Cu(1 1 1) and RhCu(1 1 1) surfaces: A comparison studies of catalytic activity

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Riguang; Duan, Tian [Key Laboratory of Coal Science and Technology of Ministry of Education and Shanxi Province, Taiyuan University of Technology, Taiyuan 030024, Shanxi (China); Ling, Lixia [Key Laboratory of Coal Science and Technology of Ministry of Education and Shanxi Province, Taiyuan University of Technology, Taiyuan 030024, Shanxi (China); Research Institute of Special Chemicals, Taiyuan University of Technology, Taiyuan 030024, Shanxi (China); Wang, Baojun, E-mail: wangbaojun@tyut.edu.cn [Key Laboratory of Coal Science and Technology of Ministry of Education and Shanxi Province, Taiyuan University of Technology, Taiyuan 030024, Shanxi (China)

    2015-06-30

    Highlights: • Adsorbed Rh atom on Cu catalyst exhibits better catalytic activity for CH{sub 4} dehydrogenation. • The adsorbed Rh atom is the reaction active center for CH{sub 4} dehydrogenation. • The morphology of Cu substrate has negligible effect on CH{sub 4} dehydrogenation. - Abstract: In the CVD growth of graphene, the reaction barriers of the dehydrogenation for hydrocarbon molecules directly decide the graphene CVD growth temperature. In this study, density functional theory method has been employed to comparatively probe into CH{sub 4} dehydrogenation on four types of Cu(1 1 1) surface, including the flat Cu(1 1 1) surface (labeled as Cu(1 1 1)) and the Cu(1 1 1) surface with one surface Cu atom substituted by one Rh atom (labeled as RhCu(1 1 1)), as well as the Cu(1 1 1) surface with one Cu or Rh adatom (labeled as Cu@Cu(1 1 1) and Rh@Cu(1 1 1), respectively). Our results show that the highest barrier of the whole CH{sub 4} dehydrogenation process is remarkably reduced from 448.7 and 418.4 kJ mol{sup −1} on the flat Cu(1 1 1) and Cu@Cu(1 1 1) surfaces to 258.9 kJ mol{sup −1} on RhCu(1 1 1) surface, and to 180.0 kJ mol{sup −1} on Rh@Cu(1 1 1) surface, indicating that the adsorbed or substituted Rh atom on Cu catalyst can exhibit better catalytic activity for CH{sub 4} complete dehydrogenation; meanwhile, since the differences for the highest barrier between Cu@Cu(1 1 1) and Cu(1 1 1) surfaces are smaller, the catalytic behaviors of Cu@Cu(1 1 1) surface are very close to the flat Cu(1 1 1) surface, suggesting that the morphology of Cu substrate does not obviously affect the dehydrogenation of CH{sub 4}, which accords with the reported experimental observations. As a result, the adsorbed or substituted Rh atom on Cu catalyst exhibit a better catalytic activity for CH{sub 4} dehydrogenation compared to the pure Cu catalyst, especially on Rh-adsorbed Cu catalyst, we can conclude that the potential of synthesizing high-quality graphene with the

  17. Educational Modelling Language 1.1 (EML 1.1)

    NARCIS (Netherlands)

    Koper, Rob; Vogten, Hubert; Martens, Harrie

    2003-01-01

    Package contains the EML 1.1 dtd, schema and documentation as is created for the Edubox Player. It is slightly different from IMS Learning Design and provides an intermediate solution between EML 1.0 and IMD Learning Design. The Edubox Player 3.x works on EML 1.1. This package is stored for

  18. Density functional study of hypophosphite adsorption on Ni (1 1 1) and Cu (1 1 1) surfaces

    International Nuclear Information System (INIS)

    Zeng Yue; Liu Shubin; Ou Lihui; Yi Jianlong; Yu Shanci; Wang Huixian; Xiao Xiaoming

    2006-01-01

    Surface structures and electronic properties of hypophosphite, H 2 PO 2 - , molecularly adsorbed on Ni(1 1 1) and Cu(1 1 1) surfaces are investigated in this work by density functional theory at B3LYP/6-31++g(d, p) level. We employ a four-metal-atom cluster as the simplified model for the surface and have fully optimized the geometry and orientation of H 2 PO 2 - on the metal cluster. Six stable orientations have been discovered on both Ni (1 1 1) and Cu (1 1 1) surfaces. The most stable orientation of H 2 PO 2 - was found to have its two oxygen atoms interact the surface with two P-O bonds pointing downward. Results of the Mulliken population analysis showed that the back donation from 3d orbitals of the transition metal substrate to the unfilled 3d orbital of the phosphorus atom in H 2 PO 2 - and 4s orbital's acceptance of electron donation from one lone pair of the oxygen atom in H 2 PO 2 - play very important roles in the H 2 PO 2 - adsorption on the transition metals. The averaged electron configuration of Ni in Ni 4 cluster is 4s 0.63 4p 0.02 3d 9.35 and that of Cu in Cu 4 cluster is 4s 1.00 4p 0.03 3d 9.97 . Because of this subtle difference of electron configuration, the adsorption energy is larger on the Ni surface than on the Cu surface. The amount of charge transfers due to above two donations is larger from H 2 PO 2 - to the Ni surface than to the Cu surface, leading to a more positively charged P atom in Ni n H 2 PO 2 - than in Cu n H 2 PO 2 - . These results indicate that the phosphorus atom in Ni n H 2 PO 2 - complex is easier to be attacked by a nucleophile such as OH - and subsequent oxidation of H 2 PO 2 - can take place more favorably on Ni substrate than on Cu substrate

  19. Effects of bioaugmentation on enhanced reductive dechlorination of 1,1,1-trichloroethane in groundwater - a comparison of three sites

    DEFF Research Database (Denmark)

    Scheutz, Charlotte; Durant, Neal D.; Broholm, Mette Martina

    2014-01-01

    , microcosms were amended with various concentrations of chloroethanes (TCA or monochloroethane [CA]) and/or chloroethenes (tetrachloroethene [PCE], trichloroethene [TCE], or 1,1-dichloroethene [1,1-DCE]). Results showed that combined electron donor addition and bioaugmentation stimulated dechlorination of TCA...... and 1,1-dichloroethane (1,1-DCA) to CA, and dechlorination of PCE, TCE, 1,1-DCE and cDCE to ethane. Dechlorination of CA was not observed. Bioaugmentation improved the rate and extent of TCA and 1,1-DCA dechlorination at two sites, but did not accelerate dechlorination at a third site where geochemical...... conditions were reducing and Dhc and Dhb were indigenous. TCA at initial concentrations of 5 mg/L inhibited (i.e., slowed the rate of) TCA dechlorination, TCE dechlorination, donor fermentation, and methanogenesis. 1 mg/L TCA did not inhibit dechlorination of TCA, TCE or cDCE. Moreover, complete...

  20. RHM 1(1).indb

    African Journals Online (AJOL)

    mike

    Research in Hospitality Management 2011, 1(1): 43–52 ... Innovating concepts are becoming ever ... hospitality industry the concept of employer branding as ... Keywords: employer branding, hospitality industry, human resources management, strategy ..... is not much evidence on employer branding beyond cases.

  1. RHM 1(1).indb

    African Journals Online (AJOL)

    mike

    Research in Hospitality Management 2011, 1(1): 31–35. Printed in South ... perspective of tourism, this research examines the branding strategies of Qatar. To the Qatari, the ... and attempt to present the case of this country through broad description ... In this paper, the dreamland concept forms a framework for reflecting on ...

  2. 1+1 Gaudin Model

    Directory of Open Access Journals (Sweden)

    Andrei V. Zotov

    2011-07-01

    Full Text Available We study 1+1 field-generalizations of the rational and elliptic Gaudin models. For sl(N case we introduce equations of motion and L-A pair with spectral parameter on the Riemann sphere and elliptic curve. In sl(2 case we study the equations in detail and find the corresponding Hamiltonian densities. The n-site model describes n interacting Landau-Lifshitz models of magnets. The interaction depends on position of the sites (marked points on the curve. We also analyze the 2-site case in its own right and describe its relation to the principal chiral model. We emphasize that 1+1 version impose a restriction on a choice of flows on the level of the corresponding 0+1 classical mechanics.

  3. Chemical and electrical passivation of Si(1 1 1) surfaces

    International Nuclear Information System (INIS)

    Tian Fangyuan; Yang Dan; Opila, Robert L.; Teplyakov, Andrew V.

    2012-01-01

    This paper compares the physical and chemical properties of hydrogen-passivated Si(1 1 1) single crystalline surfaces prepared by two main chemical preparation procedures. The modified RCA cleaning is commonly used to prepare atomically flat stable surfaces that are easily identifiable spectroscopically and are the standard for chemical functionalization of silicon. On the other hand electronic properties of these surfaces are sometimes difficult to control. A much simpler silicon surface preparation procedure includes HF dipping for a short period of time. This procedure yields an atomically rough surface, whose chemical identity is not well-defined. However, the surfaces prepared by this approach often exhibit exceptionally attractive electronic properties as determined by long charge carrier lifetimes. This work utilizes infrared spectroscopy and X-ray photoelectron spectroscopy to investigate chemical modification of the surfaces prepared by these two different procedures with PCl 5 (leading to surface chlorination) and with short- and long-alkyl-chain alkenes (1-decene and 1-octodecene, respectively) and follows the electronic properties of the starting surfaces produced by measuring charge-carrier lifetimes.

  4. Chemical and electrical passivation of Si(1 1 1) surfaces

    Science.gov (United States)

    Tian, Fangyuan; Yang, Dan; Opila, Robert L.; Teplyakov, Andrew V.

    2012-01-01

    This paper compares the physical and chemical properties of hydrogen-passivated Si(1 1 1) single crystalline surfaces prepared by two main chemical preparation procedures. The modified RCA cleaning is commonly used to prepare atomically flat stable surfaces that are easily identifiable spectroscopically and are the standard for chemical functionalization of silicon. On the other hand electronic properties of these surfaces are sometimes difficult to control. A much simpler silicon surface preparation procedure includes HF dipping for a short period of time. This procedure yields an atomically rough surface, whose chemical identity is not well-defined. However, the surfaces prepared by this approach often exhibit exceptionally attractive electronic properties as determined by long charge carrier lifetimes. This work utilizes infrared spectroscopy and X-ray photoelectron spectroscopy to investigate chemical modification of the surfaces prepared by these two different procedures with PCl5 (leading to surface chlorination) and with short- and long-alkyl-chain alkenes (1-decene and 1-octodecene, respectively) and follows the electronic properties of the starting surfaces produced by measuring charge-carrier lifetimes.

  5. Kinetics study of antimony adsorption on Si(1 1 1)

    International Nuclear Information System (INIS)

    Lapena, L.; Mueller, P.; Quentel, G.; Guesmi, H.; Treglia, G.

    2003-01-01

    In this paper, we use mass spectrometry (MS) and reflection high-energy electron (RHEED) to study the kinetics of adsorption of Sb on Si(1 1 1) surface and its relation to the corresponding surface structure. At high temperature (T>800 deg. C) all the impinging Sb 4 molecules completely dissociate at the silicon surface and a 2D gas of Sb monomers reversibly adsorbs on the (1x1) surface. At low temperature (T 4 molecules act as precursors and can be partially reflected or desorbed while a 2D stable layer of Sb monomers irreversibly adsorbs. The surface continuously shifts from a blurred (7x7) surface to a (1x1) structure near completion of the 2D layer. In the intermediate range (600 deg. C< T<800 deg. C) provided that the coverage is large enough (θ ∼ 2/3) the condensation of the 2D gas leads to a 2D (5√3 x 5√3) reconstruction. We show that introducing the formation of a condensed phase in a kinetics model allows us to reproduce our experimental data. Finally, we determine the adsorption geometry from ab initio calculations: Sb is adsorbed on top positions, somewhat passivating the Si surface dangling bonds

  6. Bioavailability of everolimus administered as a single 5 mg tablet versus five 1 mg tablets: a randomized, open-label, two-way crossover study of healthy volunteers.

    Science.gov (United States)

    Thudium, Karen; Gallo, Jorge; Bouillaud, Emmanuel; Sachs, Carolin; Eddy, Simantini; Cheung, Wing

    2015-01-01

    The mammalian target of rapamycin (mTOR) inhibitor everolimus has a well-established pharmacokinetics profile. We conducted a randomized, single-center, open-label, two-sequence, two-period crossover study of healthy volunteers to assess the relative bioavailability of everolimus administered as one 5 mg tablet or five 1 mg tablets. Subjects were randomized 1:1 to receive everolimus dosed as one 5 mg tablet or as five 1 mg tablets on day 1, followed by a washout period on days 8-14 and then the opposite formulation on day 15. Blood sampling for pharmacokinetic evaluation was performed at prespecified time points, with 17 samples taken for each treatment period. Primary variables for evaluation of relative bioavailability were area under the concentration-time curve from time zero to infinity (AUCinf) and maximum blood concentration (Cmax). Safety was assessed by reporting the incidence of adverse events (AEs). Twenty-two participants received everolimus as one 5 mg tablet followed by five 1 mg tablets (n=11) or the opposite sequence (n=11). The Cmax of five 1 mg tablets was 48% higher than that of one 5 mg tablet (geometric mean ratio, 1.48; 90% confidence interval [CI], 1.35-1.62). AUCinf was similar (geometric mean ratio, 1.08; 90% CI, 1.02-1.16), as were the extent of absorption and the distribution and elimination kinetics. AEs, all grade 1 or 2, were observed in 54.5% of subjects. Although the extent of absorption was similar, the Cmax of five 1 mg tablets was higher than that of one 5 mg tablet, suggesting these formulations lead to different peak blood concentrations and are not interchangeable at the dose tested.

  7. Day 1 for the Integrated Multi-Satellite Retrievals for GPM (IMERG) Data Sets

    Science.gov (United States)

    Huffman, G. J.; Bolvin, D. T.; Braithwaite, D.; Hsu, K. L.; Joyce, R.; Kidd, C.; Sorooshian, S.; Xie, P.

    2014-12-01

    The Integrated Multi-satellitE Retrievals for GPM (IMERG) is designed to compute the best time series of (nearly) global precipitation from "all" precipitation-relevant satellites and global surface precipitation gauge analyses. IMERG was developed to use GPM Core Observatory data as a reference for the international constellation of satellites of opportunity that constitute the GPM virtual constellation. Computationally, IMERG is a unified U.S. algorithm drawing on strengths in the three contributing groups, whose previous work includes: 1) the TRMM Multi-satellite Precipitation Analysis (TMPA); 2) the CPC Morphing algorithm with Kalman Filtering (K-CMORPH); and 3) the Precipitation Estimation from Remotely Sensed Information using Artificial Neural Networks using a Cloud Classification System (PERSIANN-CCS). We review the IMERG design, development, testing, and current status. IMERG provides 0.1°x0.1° half-hourly data, and will be run at multiple times, providing successively more accurate estimates: 4 hours, 8 hours, and 2 months after observation time. In Day 1 the spatial extent is 60°N-S, for the period March 2014 to the present. In subsequent reprocessing the data will extend to fully global, covering the period 1998 to the present. Both the set of input data set retrievals and the IMERG system are substantially different than those used in previous U.S. products. The input passive microwave data are all being produced with GPROF2014, which is substantially upgraded compared to previous versions. For the first time, this includes microwave sounders. Accordingly, there is a strong need to carefully check the initial test data sets for performance. IMERG output will be illustrated using pre-operational test data, including the variety of supporting fields, such as the merged-microwave and infrared estimates, and the precipitation type. Finally, we will summarize the expected release of various output products, and the subsequent reprocessing sequence.

  8. A comparative study of the adsorption and hydrogenation of acrolein on Pt(1 1 1), Ni(1 1 1) film and Pt Ni Pt(1 1 1) bimetallic surfaces

    Science.gov (United States)

    Murillo, Luis E.; Chen, Jingguang G.

    In this study we have investigated the reaction pathways for the decomposition and hydrogenation of acrolein (CH 2dbnd CH-CH dbnd O) on Ni/Pt(1 1 1) surfaces under ultra-high vacuum (UHV) conditions using temperature programmed desorption (TPD) and high-resolution electron energy loss spectroscopy (HREELS). While gas-phase hydrogenation products are not observed from clean Pt(1 1 1), the subsurface Pt-Ni-Pt(1 1 1), with Ni residing below the first layer of Pt, is active for the self-hydrogenation of the C dbnd O bond to produce unsaturated alcohol (2-propenol) and the C dbnd C bond to produce saturated aldehyde (propanal), with the latter being the main hydrogenation product without the consecutive hydrogenation to saturated alcohol. For a thick Ni(1 1 1) film prepared on Pt(1 1 1), the self-hydrogenation yields for both products are lower than that from the Pt-Ni-Pt(1 1 1) surface. The presence of pre-adsorbed hydrogen further enhances the selectivity toward C dbnd O bond hydrogenation on the Pt-Ni-Pt(1 1 1) surface. In addition, HREELS studies of the adsorption of the two hydrogenation products, 2-propenol and propanal, are performed on the Pt-Ni-Pt(1 1 1) surface to identify the possible surface intermediates during the reaction of acrolein. The results presented here indicate that the hydrogenation activity and selectivity of acrolein on Pt(1 1 1) can be significantly modified by the formation of the bimetallic surfaces.

  9. 45 CFR 1220.1-1 - Introduction.

    Science.gov (United States)

    2010-10-01

    ... 45 Public Welfare 4 2010-10-01 2010-10-01 false Introduction. 1220.1-1 Section 1220.1-1 Public Welfare Regulations Relating to Public Welfare (Continued) CORPORATION FOR NATIONAL AND COMMUNITY SERVICE PAYMENT OF VOLUNTEER LEGAL EXPENSES General § 1220.1-1 Introduction. Section 419 of the Domestic Volunteer...

  10. Improving surface smoothness and photoluminescence of CdTe(1 1 1)A on Si(1 1 1) substrates grown by molecular beam epitaxy using Mn atoms

    International Nuclear Information System (INIS)

    Wang, Jyh-Shyang; Tsai, Yu-Hsuan; Chen, Chang-Wei; Dai, Zi-Yuan; Tong, Shih-Chang; Yang, Chu-Shou; Wu, Chih-Hung; Yuan, Chi-Tsu; Shen, Ji-Lin

    2014-01-01

    Highlights: • CdTe(1 1 1)A epilayers were grown on Si(1 1 1) substrates by molecular beam epitaxy. • We report an enhanced growth using Mn atoms. • The significant improvements in surface quality and optical properties were found. - Abstract: This work demonstrates an improvement of the molecular beam epitaxial growth of CdTe(1 1 1)A epilayer on Si(1 1 1) substrates using Mn atoms. The reflection high-energy electron diffraction patterns show that the involvement of some Mn atoms in the growth of CdTe(1 1 1)A is even more effective than the use of a buffer layer with a smooth surface for forming good CdTe(1 1 1)A epilayers. 10 K Photoluminescence spectra show that the incorporation of only 2% Mn significantly reduced the intensity of defect-related emissions and considerably increased the integral intensity of exciton-related emissions by a large factor of about 400

  11. 30 CFR 1.1 - Official emblem.

    Science.gov (United States)

    2010-07-01

    ... 30 Mineral Resources 1 2010-07-01 2010-07-01 false Official emblem. 1.1 Section 1.1 Mineral Resources MINE SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR OFFICIAL EMBLEM AND OMB CONTROL NUMBERS... OFFICIAL EMBLEM § 1.1 Official emblem. The following emblem is established and shall be used as the...

  12. 2016 SPD: Day 1

    Science.gov (United States)

    Kohler, Susanna

    2016-06-01

    Editors note: This week were in Boulder, Colorado at the 47th meeting of the AAS Solar Physics Division (SPD). Follow along to catch some of the latest news from the field of solar physics!The 2016 SPD meeting was launched this morning from the University of Colorado Boulder campus. Two of the hot topics at this years meeting include celebration of the recent move of the National Solar Observatorys headquarters to Boulder, and discussion of the future Daniel K. Inouye Solar Telescope (DKIST, formerly the Advanced Technology Solar Telescope, ATST). DKIST, planned for a 2019 completion in Hawaii, is the next big telescope on the horizon for solar physics.Todays press conference had an interesting focus: instruments providing new high-energy observations of the Sun. Representatives from four different instruments were here to talk about some of the latest X-ray solar observations.GRIPSThe GRIPS payload flew at 130,000 ft over Antarctica on a giant balloon in January 2016. [NASA/Albert Shih]First up, Albert Shih (NASA Goddard) described the Gamma-Ray Imager/Polarimeter for Solar flares, or GRIPS. GRIPS is a balloon-borne instrument designed to detect X-rays and gamma rays emitted during solar flares. Up to tens of a percent of the energy in solar flares is emitted in the form of accelerated particles, but the physics behind this process is not well understood. GRIPS observes where the highest-energy particles are accelerated, in an effort to learn more about the process.GRIPS was launched on 19 January, 2016 and flew for roughly 12 days gathering ~1 million seconds of data! The logistics of this instruments flight are especially interesting, since it was launched from Antarctica and carried by a balloon at a whopping elevation of 130,000 ft (to get high enough that the atmosphere doesnt absorb all the photons GRIPS is trying to observe). Though the data from the mission has been retrieved, the bulk of the hardware remains where it landed at the end of January. It must wait for the warmer Antarctic weather in December before a team will be able to reach the instrument and recover it!Over the 12 days it flew, GRIPS observed 21 small, C-class solar flares. Data analysis is currently underway, and the team hopes that these observations will help improve our understanding of the processes underlying these solar flares.The FOXSI mission launches on a sounding rocket, taking roughly five minutes of hard X-ray data of the Sun during its flights. [NASA/FOXSI]FOXSINext, Camilo Buitrago-Casas (UC Berkeley) introduced us to the Focusing Optics X-ray Solar Imager (FOXSI) sounding rocket. More than anything, FOXSI is a test of new instrumentation that may be key to future observations of the Sun in hard X-rays.FOXSI is a focusing telescope something that is significantly more difficult to do with hard X-rays than it is with optical telescopes. Hard X-rays are difficult to bounce off of mirrors since, due to their high energy, they simply pass through the mirrors! The trick is to capture the X-rays at a grazing angle, sending them through a series of nested mirrors that progressively focus the light. Due to this process and new-technology detectors, FOXSI is able to produce very high-quality, low-noise images of some of the hottest solar sources in fine detail.FOXSI has now flown twice, with a third flight planned for 2018. Each flight gains about five minutes of data while the sounding rocket is above the Earths atmosphere in its parabolic trajectory. While this instrument has already produced a wealth of data about tiny solar flares, the ultimate goal is to get FOXSIs technology on a space-based observatory, allowing for dedicated and longer observations of solar flares.NuSTARNext, Lindsay Glesener (University of Minnesota) spoke about the Nuclear Spectroscopic Telescope Array (NuSTAR) space telescope, which actually has this opportunity for long solar observations except that its a little busy. NuSTAR was primarily designed to look at faint sources in the distant universe. But a few times a year, it takes a few hours to look closer to home, turning to point at the Sun.Artists concept of NuSTAR, a high-energy space telescope that occasionally takes a break from observing the distant universe to instead point at the Sun. [NASA]Due to NuSTARs extreme sensitivity, there are obviously some challenges in pointing it directly at a nearby, high-intensity source! Large solar flares would completely swamp the telescopes detectors, but in quiet conditions, NuSTAR is an excellent tool for detecting faint sources.As a result, NuSTAR recently detected the smallest, faintest X-ray flare ever imaged at high energies. Tiny flares such as this one are very different from the enormous eruptions were used to seeing in solar images; these small flares would go unnoticed by a less sensitive instrument. Theyre interesting to study, however, because they might provide the solution to the coronal heating problem the question of how the enormous temperature of the solar corona is sustained. Its thought that continuous eruption of small solar flares could potentially provide the heating necessary to explain the coronas temperature.MinXSSThe last speaker of the press conference was Amir Caspi (Southwest Research Institute), who told us about the Miniature X-ray Solar Spectrometer, or MinXSS. MinXSS is a NASA-funded CubeSat a small but full-feature satellite roughly the size of a loaf of bread. It was deployed from the International Space Station just two weeks ago (16 May), and saw its first light last night (30 May)!MinXSS will detect soft X-rays from the Sun, with the goal of gaining a better understanding solar flares, nanoflares, and how these impact the Earth. When solar X-rays are absorbed by the Earths upper atmosphere, the atmosphere heats up with photons of different energies causing heating in different atmospheric layers. Understanding this interaction isimportant for makingpredictions about how communications signals traveling through the Earths ionosphere might be affected.MinXSSs mission is roughly 6-12 months long, with a second mission planned after the conclusion of the current one. The team is looking forward to MinXSSs entry into science mode in a few days time, and the data that will hopefully follow! You can keep up with the latest news from MinXSS on facebook and twitter.BonusCheck out the gif below that shows the deployment of MinXSS (the one in front) and a second CubeSat, CADRE, from the ISS! This compilation of photos was put together by James Mason, MinXSS project manager. The photos were taken from the ISS by astronaut Tim Peake. [NASA

  13. AAS 227: Day 1

    Science.gov (United States)

    Kohler, Susanna

    2016-01-01

    Editors Note:This week were at the 227th AAS Meeting in Kissimmee, FL. Along with several fellow authors from astrobites.com, I will bewritingupdates on selectedevents at themeeting and posting at the end of each day. Follow along here or at astrobites.com, or catch ourlive-tweeted updates from the @astrobites Twitter account. The usual posting schedule for AAS Nova will resumenext week.Things kicked off last night at our undergraduate reception booth. Thanks to all of you who stopped by we were delightedto have so many people tell us that they already know about and useastrobites, and we were excited to introduce a new cohort of students at AAS to astrobites for the first time.Tuesday morning was the official start of the meeting. Here are just a few of the talks and workshops astrobiters attended today.Opening Address (by Becky Smethurst)The President of the AAS, aka our fearless leader Meg Urry kicked off the meeting this morning at the purely coffee powered hour of 8am this morning. She spoke about the importance of young astronomers at the meeting (heres looking at you reader!) and also the importance of the new Working Group for Accessibility and Disabilities (aka WGAD pronounced like wicked) at the AAS. The Society has made extra effort this year to make the conference accessible to all,a message which was very well received by everyone in attendance.Kavli Lecture: New Horizons Alan Stern (by Becky Smethurst)We were definitely spoilt with the first Plenary lecture at this years conference Alan Stern gave us a a review of the New Horizons mission of the Pluto Fly By (astrobites covered the mission back in July with this post). We were treated to beautiful images, wonderful results and a foray into geology.Before (Hubble) and after #NewHorizons. #thatisall #science #astro alanstern #aas227 pic.twitter.com/kkMt6RsSIR Science News (@topsciencething) January 5, 2016Some awesome facts from the lecture that blew my mind:New Horizons is now 2AU (!) beyond PlutoThe mission was featured on the front pages of 450 newspapers worldwide on every single continent (including Antartica!)New Horizons reached the Moon in9 HOURSafter launch (compared to the ~3 days it took the Apollo missions)The mission controllers were aiming for a 100km window of space all the way from EarthThere was a window of ~400seconds which the probe had to arrive within the probe arrived90 seconds early! Putting tardy astronomers everywhere to shame.Charon was the only satellite of Pluto known at the time of the mission proposalThe canyon found on Charon is not only bigger than the Grand Canyon but bigger than Mariner Valley on Mars which is already4000 km (2500 mi) long and reaches depths of up to 7 km (4 mi)!Charons surface. Tectonic feature runs about 1500 km, around 10 km deep. Eat it, Mars. #aas227 pic.twitter.com/blewwJaXEn Danny Barringer (@HeavyFe_H) January 5, 2016The mountains ringing the Sputnik Planum (aka the heart of Pluto) are over 4km high and are snow capped with methane icePlutos mountain ranges. Means surface nitrogen layer is thin, probably water ice according to @AlanStern. #aas227 pic.twitter.com/0yyHZvpBOE Danny Barringer (@HeavyFe_H) January 5, 2016Plutos atmosphere has a dozendistincthaze layers but how they arecreated is a mystery#aas227 hazes on Pluto wow pic.twitter.com/VPx99ZhPj1 Lisa StorrieLombardi (@lisajsl) January 5, 2016Alan also spoke about the future of New Horizons there is a new mission proposal for a fly by of a Kuiper Belt object 2014MU69 in Jan 2019 which should give us a better understanding of this icy frontier at the edge ofthe Solar System. As a parting gift Alan playedthemost gorgeously detailed fly over video of Plutos surface that had all in the room melting into their flip flops. Its safe to say that the whole room is now Pluto-curious and wondering whether a change of discipline is in order!Press Conference: Black Holes and Exoplanets (by Susanna Kohler)This morning marked the first press conference of the meeting, covering some hot topics in black holes and exoplanets.Hubble (background) and Chandra (purple) image of SDSS J1126+2944. The arrow marks the second black hole. (From http://casa.colorado.edu/~comerford/press)The first speaker was Julie Comerford (University of Colorado Boulder), who told us about SDSS J1126+2944, a galaxy that was shown by Chandra X-ray detections to contain not just one, but two supermassive black holes. This is a sign of a recent merger between two galaxies, which can result in one new, larger galaxy with two nuclei for a while. The second black hole is surrounded by only a small sphere of stars. This may be because the rest have been stripped away in the process of the merger but its also possible that the second black hole is an elusive intermediate mass black hole of only 100-1,000,000 solar masses! Heres the press release.The second speaker was Eric Schlegel (University of Texas, San Antonio), who spoke about the galaxy NGC 5195. Eric discussed an interesting problem: we know that star formation ends in galaxies after a time, but the gas must be cleared out of the galaxy for the star formation to halt. What process does this? Schlegels collaboration found evidence in NGC 5195 for a burping supermassive black hole the shock from the black holes outflow sweeps up the hydrogen gas and blows it out of the galactic center. Heres the press release.NuSTAR image of Andromeda, inset on a UV image by NASAs Galaxy Evolution Explorer. Click for a better look! [NASA/JPL-Caltech/GSFC]Next up was Daniel Wik (NASA/Goddard SFC), who discussed recent high-energy X-ray observations of Andromeda galaxy with NASAs NuSTAR. As Wik described it, NuSTAR is like a CSI detective, working to identify what fraction of the compact remnants in X-ray binaries of Andromeda are neutron stars, and what fraction are black holes. Since X-ray binaries play a crucial role in heating gas in protogalaxies, shaping galaxy formation, its important that we learn more about this population and how it evolves over time. Heres the press release.The final speaker was grad studentSamuel Grunblatt (University of Hawaii Institute for Astronomy), who spoke about measuring the mass of exoplanets around active stars. In radial velocity studies of exoplanets, a planet orbiting its star causes the star to wobble. This signal for an Earth-like planet is as tiny as 9 cm/s! Unfortunately, activity of the star can cause radial velocity noise of 1-10 m/s so to detect Earth-like planets, we need to find a way of subtracting off the noise. Grunblatt talked about an intriguing new method for determining planet masses that controls for the signature of their hosts activity. Heres his paper.Annie Jump Cannon Award Lecture: On the Dynamics of Planets, Stars and Black Holes (by Erika Nesvold)This year, the Annie Jump Cannon Award was given to Smadar Naoz, an assistant professor at UCLA. The Cannon Award is given every year to a young (less than 5 years since PhD), female astronomer for outstanding work in her field. Traditionally, the Cannon Award recipient delivers a lecture on her research, so this year we were lucky to see a dynamic and engaging talk by Smadar Naoz about her research in dynamical theory.You may have heard the common career advice that you should focus on becoming the expert on one particular facet of astronomy: a particular type of object, an observational technique, a type of instrument, etc. Naoz has managed to follow that advice while still managing to study a huge range of astronomical topics, from exoplanets to cosmology. She studies hierarchical triples, systems of three gravitational bodies in which two of the bodies orbit one another very closely, while the third orbits the other two from a much greater distance. For example, a planet in a tight orbit around a star, with a brown dwarf orbiting hundreds of AU away, make up a hierarchical triple system. So does a system in which two black holes orbit each other closely, with a third black hole orbiting farther away. The physics of these systems are all the same, so by studying the equations that govern a hierarchical triple system, Naoz can study a huge variety of astronomical objects.In particular, Naoz studies a mechanism called the Kozai-Lidov mechanism, named after the two researchers who discovered it independently. If the outer body in a hierarchical triple orbits at a high enough inclination to the inner body ( 40 degrees), the Kozai-Lidov mechanism will excite the inclination and eccentricity of the inner body. In fact, the inclination and eccentricity will oscillate opposite one another: as the inclination increases, the eccentricity will decrease, and vice versa. In the course of her research, Naoz discovered a flaw in Kozais original derivations of this mechanism, and derived a more accurate, general set of equations describing the Kozai-Lidov mechanism. These new equations indicate that the eccentricity of the inner object can become extremely high, and that the inclination can become so high that the objects orbit can flip from prograde to retrograde! In other words, the object can start orbiting in the opposite direction around the central body.Wondering how Naoz found the error in Kozai? I happen to know she rederives all the equations in every paper she reads. Wow. #aas227 Erika Nesvold (@erikanesvold) January 5, 2016This work has applications in many different types of systems. For example, over the past decade, observers have discovered a large number of retrograde hot Jupiters, gas giant planets orbiting very close to their star, in the opposite direction from the stars spin. Naoz showed that the new, correct Kozai-Lidov mechanism can explain the orbits of these exoplanets, because it increases the planets eccentricity until its orbit approaches very close to the star, and it flips the inclination into a retrograde orbit. Naoz: A puzzle: how to explain retrograde planets? Kozai mechanism can do that! #aas227 Peter Edmonds (@PeterDEdmonds) January 5, 2016Naoz also showed applications of the Kozai-Lidov mechanisms to dark matter halos around black holes, triple black hole systems, and so-called blue stragglers: main-sequence stars in clusters that are brighter and bluer than they should be. Her body of work is an excellent example of how theorists can adapt general physics theories to a wonderful variety of astronomical problems.holy styrofoam planets batman naoz just explained everything. #aas227 August Muench (@augustmuench) January 5, 2016Harassment in the Astronomical Sciences Town Hall(by Caroline Morley)The Town Hall on Harassment in the Astronomical Sciences involved a sobering panel discussion on the current state on workplace climate in astronomy and the current steps that the AAS and federal agencies are taking to improve it. Christina Richey kicked it off by presenting preliminary results from the CSWA Survey on workplace climate. This survey involved 426 participants, and reveals that many people, especially junior members of the field, experience harassment including both verbal and physical harassment. These results will be published this year. Next up, Dara Norman, a Councilor of the AAS and a member of the AAS Ethics Task Force, spoke about the proposed changes to the current AAS Ethics Statement. These changes will focus on corrective policies to improve the state of the field; they will solicit community feedback this Spring and vote on the changes at the Summer AAS meeting. Last, Jim Ulvestad, representing the federal agencies including NSF, NASA, and the DOE, spoke about the current policies for reporting to federal funding agencies. He reminds us that if an institution accepts money from the federal government, they are required by law to follow laws such as Title VI (covering racial harassment) and Title IX (covering sexual harassment), and that breaches can be reported to the funding agency.Tools and Tips for Better Software (aka Pain Reduction for Code Authors)(by Caroline Morley)This afternoon breakout session included a drinking-from-the-firehose set of short talks that covered everything from source-code management and software testing to building communities that create sustainable code. First, Kenza Arraki discussed software such as Git to do version control to keep track of code changes. (Version Control is my (science) New Years Resolution, so I was happy to learn that there is aCodeAcademy tutorial for Git!). Next up, AdrianPrice-Whelan described the merits of software testing and suggests that we actually do Test-driven development where we write tests for the code first, then write code, run tests and debug until tests all pass. Erik Tollerud spoke on Why Document code and how you might convince yourself to do so (documenting code is another good science New Years Resolution!) The most important rule is to always document as you code because you wont ever go back! Bruce Berriman described the best practices for code release, including, importantly, licensing it and describing it well (with tutorials, examples). Matthew Turk reminded us the importance of building community around code development. Robert Nemiroff ended the talks with a discussion of what to do withdeadcodes. The lowest bar? Put it in your Dropbox and share it with your collaborators and students!For more info on all of these topics and more, consider attending a Software Carpentry workshop.

  14. Use of day 1 early morning cortisol to predict the need for glucocorticoid replacement after pituitary surgery.

    Science.gov (United States)

    Bondugulapati, L N Rao; Campbell, Christopher; Chowdhury, Sharmistha Roy; Goetz, Pablo; Davies, J Stephen; Rees, D Aled; Hayhurst, Caroline

    2016-01-01

    Assessment of adrenal reserve in patients who have undergone pituitary surgery is crucial. However, there is no clear consensus with regards to the type and timing of the test that should be used in the immediate post-operative period. Recently, there has been increased interest in measuring post-operative cortisol levels. We present our data utilising day 1 post-operative early morning cortisol as a tool to assess adrenal reserve in steroid-naive patients. A retrospective analysis of endoscopic pituitary surgery undertaken over a 2-year period. 82 patients underwent 84 surgeries in total. Patients who were already on glucocorticoids pre-operatively and patients with Cushing's disease, pituitary apoplexy and those without follow-up data were excluded, leaving a study group of 44 patients with 45 operations. A 9am day 1 post-operative cortisol value of > 400 nmol/L was taken as an indicator of adequate adrenal reserve. All the patients were reassessed at 6 weeks with a standard short synacthen test (SST) using 250 micrograms of intravenous synacthen. 22 out of 45 patients had a cortisol value of > 400 nmol/L on day 1 post-operatively and were discharged without glucocorticoid supplementation. Of these, only 2 patients subsequently failed the SST when reassessed at 6-8 weeks. The remaining 23 patients had a cortisol value of cortisol levels whereas the remaining fourteen patients showed adequate adrenal reserve. The 9 am cortisol value had high specificity (81.8%) and positive predictive value (90.9%) for integrity of the HPA axis. Sensitivity was 58.8% and negative predictive value was 39.1%. A day 1 post-operative early morning cortisol is a useful tool to predict adrenal reserve post-pituitary surgery, enabling clinicians to avoid unnecessary blanket glucocorticoid replacement.

  15. Results of paclitaxel (day 1 and 8 and carboplatin given on every three weeks in advanced (stage III-IV non-small cell lung cancer

    Directory of Open Access Journals (Sweden)

    Salepci Taflan

    2005-01-01

    Full Text Available Abstract Background Both paclitaxel (P and carboplatin (C have significant activity in non-small cell lung cancer (NSCLC. The weekly administration of P is active, dose intense, and has a favorable toxicity profile. We retrospectively reviewed the data of 51 consecutive patients receiving C and day 1 and 8 P chemotherapy (CT regimen in advanced stage NSCLC to evaluate the efficacy and toxicity. Methods Patients treated in our institutions having pathologically proven NSCLC, no CNS metastases, adequate organ function and performance status (PS ECOG 0–2 were given P 112.5 mg/m2 intravenously (IV over 1 hour on day 1 and 8, followed by C AUC 5 IV over 1 hour, repeated in every three weeks. PC was given for maximum of 6 cycles. Results Median age was 58 (age range 39–77 and 41 patients (80% were male. PS was 0/1/2 in 29/17/5 patients and stage was IIIA/IIIB/IV in 3/14/34 patients respectively. The median number of cycles administered was 3 (1–6. Seven patients (14% did not complete the first 3 cycles either due to death, progression, grade 3 hypersensitivity reactions to P or lost to follow up. Best evaluable response was partial response (PR in 45% and stable disease (SD in 18%. Twelve patients (24% received local RT. Thirteen patients (25% received 2nd line CT at progression. At a median follow-up of 7 months (range, 1–20, 25 (49% patients died and 35 patients (69% progressed. Median overall survival (OS was 11 ± 2 months (95% CI; 6 to 16, 1-year OS ratio was 44%. Median time to progression (TTP was 6 ± 1 months (95% CI; 4 to 8, 1-year progression free survival (PFS ratio was 20%. We observed following grade 3 toxicities: asthenia (10%, neuropathy (4%, anorexia (4%, anemia (4%, hypersensitivity to P (2%, nausea/vomiting (2%, diarrhea (2% and neutropenia (2%. Two patients (4% died of febrile neutropenia. Doses of CT were reduced or delayed in 12 patients (24%. Conclusions P on day 1 and 8 and C every three weeks is practical and fairly

  16. Transformation of 1,1,1-trichloroethane in an anaerobic packed-bed reactor at various concentrations of 1,1,1-trichloroethane, acetate and sulfate

    NARCIS (Netherlands)

    deBest, JH; Jongema, H; Weijling, A; Doddema, HJ; Janssen, DB; Harder, W

    Biotransformation of 1,1,1-trichloroethane (CH3CCl3) was observed in an anaerobic packed-bed reactor under conditions of both sulfate reduction and methanogenesis. Acetate (1 mM) served as an electron donor. CH3CCl3 was completely converted up to the highest investigated concentration of 10 mu M.

  17. 16 CFR 1.1 - Policy.

    Science.gov (United States)

    2010-01-01

    ... 16 Commercial Practices 1 2010-01-01 2010-01-01 false Policy. 1.1 Section 1.1 Commercial Practices FEDERAL TRADE COMMISSION ORGANIZATION, PROCEDURES AND RULES OF PRACTICE GENERAL PROCEDURES Industry... substantial or novel question of fact or law and there is no clear Commission or court precedent; or (2) The...

  18. 40 CFR 721.10086 - Ethane, 2-(difluoromethoxy)-1,1,1-trifluoro-.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Ethane, 2-(difluoromethoxy)-1,1,1... Specific Chemical Substances § 721.10086 Ethane, 2-(difluoromethoxy)-1,1,1-trifluoro-. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as ethane, 2...

  19. Liquid-air partition coefficients of 1,1-difluoroethane (HFC152a), 1,1,1-trifluoroethane (HFC143a), 1,1,1,2-tetrafluoroethane (HFC134a), 1,1,1,2,2-pentafluoroethane (HFC125) and 1,1,1,3,3-pentafluoropropane (HFC245fa).

    Science.gov (United States)

    Ernstgård, Lena; Lind, Birger; Andersen, Melvin E; Johanson, Gunnar

    2010-01-01

    Blood-air and tissue-blood coefficients (lambda) are essential to characterize the uptake and disposition of volatile substances, e.g. by physiologically based pharmacokinetic (PBPK) modelling. Highly volatile chemicals, including many hydrofluorocarbons (HFC) have low solubility in liquid media. These characteristics pose challenges for determining lambda values. A modified head-space vial equilibrium method was used to determine lambda values for five widely used HFCs. The method is based on automated head-space gas chromatography and injection of equal amount of chemical in two head-space vials with identical air phase volumes but different volumes of the liquid phase. The liquids used were water (physiological saline), fresh human blood, and olive oil. The average lambda values (n = 8) were as follows: 1,1-difluoroethane (HFC152a) - 1.08 (blood-air), 1.11 (water-air) and 5.6 (oil-air); 1,1,1-trifluoroethane (HFC143a) - 0.15, 0.15 and 1.90; 1,1,1,2-tetrafluoroethane (HFC134a) - 0.36, 0.35 and 3.5; 1,1,1,2,2-pentafluoroethane (HFC125) - 0.083, 0.074 and 1.71; and 1,1,1,3,3-pentafluoropropane (HFC245fa) - 0.62, 0.58 and 12.1. The lambda values appeared to be concentration-independent in the investigated range (2-200 ppm). In spite of the low lambda values, the method errors were modest, with coefficients of variation of 9, 11 and 10% for water, blood and oil, respectively.

  20. Kinetics of transformation of 1,1,1-trichloroethane by Fe(II) in cement slurries

    International Nuclear Information System (INIS)

    Jung, Bahngmi; Batchelor, Bill

    2009-01-01

    This study examines the applicability of the iron-based degradative solidification/stabilization (DS/S-Fe(II)) process to 1,1,1-trichloroethane (1,1,1-TCA), which is one of common chlorinated aliphatic hydrocarbons (CAHs) of concern at contaminated sites. DS/S-Fe(II) combines contaminant degradation by Fe(II) and immobilization by the hydration reactions of Portland cement. The transformation of 1,1,1-TCA by Fe(II) in 10% Portland cement slurries was studied using a batch slurry reactor system. The effects of Fe(II) dose, pH, and initial concentration of 1,1,1-TCA on the kinetics of 1,1,1-TCA degradation were evaluated. Degradation of 1,1,1-TCA in cement slurries including Fe(II) was very rapid and could be described by a pseudo-first-order rate law. The half-lives for 1,1,1-TCA were measured between 0.4 and 5 h when Fe(II) dose ranged from 4.9 to 39.2 mM. The pseudo-first-order rate constant increased with pH to a maximum near pH 12.5. A saturation rate equation was able to predict degradation kinetics over a wide range of target organic concentrations and at higher Fe(II) doses. The major transformation product of 1,1,1-TCA in mixtures of Fe(II) and cement was 1,1-dichloroethane (1,1-DCA), which indicates that degradation occurred by a hydrogenolysis pathway. A small amount of ethane was observed. The conversion of 1,1,1-TCA to ethane was better described by a parallel reaction model than by a consecutive reaction model

  1. USEEIO v1.1 - Matrices

    Data.gov (United States)

    U.S. Environmental Protection Agency — This dataset provides the basic building blocks for the USEEIO v1.1 model and life cycle results per $1 (2013 USD) demand for all goods and services in the model in...

  2. Association between Vancomycin Day 1 Exposure Profile and Outcomes among Patients with Methicillin-Resistant Staphylococcus aureus Infective Endocarditis

    Science.gov (United States)

    Casapao, Anthony M.; Lodise, Thomas P.; Davis, Susan L.; Claeys, Kimberly C.; Kullar, Ravina; Levine, Donald P.

    2015-01-01

    Given the critical importance of early appropriate therapy, a retrospective cohort (2002 to 2013) was performed at the Detroit Medical Center to evaluate the association between the day 1 vancomycin exposure profile and outcomes among patients with MRSA infective endocarditis (IE). The day 1 vancomycin area under the concentration-time curve (AUC0–24) and the minimum concentration at 24 h (Cmin 24) was estimated for each patient using the Bayesian procedure in ADAPT 5, an approach shown to accurately predict the vancomycin exposure with low bias and high precision with limited pharmacokinetic sampling. Initial MRSA isolates were collected and vancomycin MIC was determined by broth microdilution (BMD) and Etest. The primary outcome was failure, defined as persistent bacteremia (≥7 days) or 30-day attributable mortality. Classification and regression tree analysis (CART) was used to determine the vancomycin exposure variables associated with an increased probability of failure. In total, 139 patients met study criteria; 76.3% had right-sided IE, 16.5% had left-sided IE, and 7.2% had both left and right-sided IE. A total of 89/139 (64%) experienced failure by composite definition. In the CART analysis, failure was more pronounced in patients with an AUC0–24/MIC as determined by BMD of ≤600 relative to those with AUC0–24/MIC as determined by BMD of >600 (69.8% versus 54.7%, respectively, P = 0.073). In the logistic regression analysis, an AUC/MIC as determined by BMD of ≤600 (adjusted odds ratio, 2.3; 95% confidence interval, 1.01 to 5.37; P = 0.047) was independently associated with failure. Given the retrospective nature of the present study, further prospective studies are required but these data suggest that patients with an AUC0–24/MIC as determined by BMD of ≤600 present an increased risk of failure. PMID:25753631

  3. Carbon isotope fractionation of 1,1,1-trichloroethane during base-catalyzed persulfate treatment

    International Nuclear Information System (INIS)

    Marchesi, Massimo; Thomson, Neil R.; Aravena, Ramon; Sra, Kanwartej S.; Otero, Neus; Soler, Albert

    2013-01-01

    Highlights: • Treatability and C fractionation of 1,1,1-TCA by base-catalyzed S 2 O 8 2− was studied. • The rate of degradation of 1,1,1-TCA increased with a higher OH − :S 2 O 8 2− ratio. •Base-catalyzed S 2 O 8 2− can potentially treat recalcitrant compound like 1,1,1-TCA. • An enrichment factor of −7.0‰ independent of the OH − :S 2 O 8 2− ratio was obtained. • Carbon isotope can potentially be used to estimate the ISCO treatment efficacy. -- Abstract: The extent of carbon isotope fractionation during degradation of 1,1,1-trichloroethane (1,1,1-TCA) by a base-catalyzed persulfate (S 2 O 8 2− ) treatment system was investigated. Significant destruction of 1,1,1-TCA was observed at a pH of ∼12. An increase in the NaOH:S 2 O 8 2− molar ratio from 0.2:1 to 8:1 enhanced the reaction rate of 1,1,1-TCA by a factor of ∼5 to yield complete (>99.9%) destruction. An average carbon isotope enrichment fractionation factor which was independent of the NaOH:S 2 O 8 2− molar ratio of −7.0 ± 0.2‰ was obtained. This significant carbon isotope fractionation and the lack of dependence on changes in the NaOH:S 2 O 8 2− molar ratio demonstrates that carbon isotope analysis can potentially be used in situ as a performance assessment tool to estimate the degradation effectiveness of 1,1,1-TCA by a base-catalyzed persulfate system

  4. Metabolism of 1-fluoro-1,1,2-trichloroethane, 1,2-dichloro-1,1-difluoroethane, and 1,1,1-trifluoro-2-chloroethane.

    Science.gov (United States)

    Yin, H; Jones, J P; Anders, M W

    1995-03-01

    1-Fluoro-1,1,2-trichloroethane (HCFC-131a), 1,2-dichloro-1,1-difluoroethane (HCFC-132b), and 1,1,1-trifluoro-2-chloroethane (HCFC-133a) were chosen as models for comparative metabolism studies on 1,1,1,2-tetrahaloethanes, which are under consideration as replacements for ozone-depleting chlorofluorocarbons (CFCs). Male Fischer 344 rats were given 10 mmol/kg ip HCFC-131a or HCFC-132b or exposed by inhalation to 1% HCFC-133a for 2 h. Urine collected in the first 24 h after exposure was analyzed by 19F NMR and GC/MS and with a fluoride-selective ion electrode for the formation of fluorine-containing metabolites. Metabolites of HCFC-131a included 2,2-dichloro-2-fluoroethyl glucuronide, 2,2-dichloro-2-fluoroethyl sulfate, dichlorofluoroacetic acid, and inorganic fluoride. Metabolites of HCFC-132b were characterized as 2-chloro-2,2-difluoroethyl glucuronide, 2-chloro-2,2-difluoroethyl sulfate, chlorodifluoroacetic acid, chlorodifluoroacetaldehyde hydrate, chlorodifluoroacetaldehyde-urea adduct, and inorganic fluoride. HCFC-133a was metabolized to 2,2,2-trifluoroethyl glucuronide, trifluoroacetic acid, trifluoroacetaldehyde hydrate, trifluoroacetaldehyde-urea adduct, inorganic fluoride, and a minor, unidentified metabolite. With HCFC-131a and HCFC-132b, glucuronide conjugates of 2,2,2-trihaloethanols were the major urinary metabolites, whereas with HCFC-133a, a trifluoroacetaldehyde-urea adduct was the major urinary metabolite. Analysis of metabolite distribution in vivo indicated that aldehydic metabolites increased as fluorine substitution increased in the order HCFC-131a < HCFC-132b < HCFC-133a. With NADPH-fortified rat liver microsomes, HCFC-133a and HCFC-132b were biotransformed to trifluoroacetaldehyde and chlorodifluoroacetaldehyde, respectively, whereas HCFC-131a was converted to dichlorofluoroacetic acid. No covalently bound metabolites were detected by 19F NMR spectroscopy.(ABSTRACT TRUNCATED AT 250 WORDS)

  5. Verification report for SIMREP 1.1

    International Nuclear Information System (INIS)

    Tarapore, P.S.

    1987-06-01

    SIMREP 1.1 is a discrete event computer simulation of repository operations in the surface waste-handling facility. The logic for this model is provided by Fluor Technology, Inc., the Architect/Engineer of the salt repository. The verification methods included a line-by-line review of the code, a detailed examination of a generated trace of all simulated events over a given period of operations, and a comparison of the simulation output results with expected values. SIMREP 1.1 performs in the required manner under the given range of input conditions

  6. 26 CFR 303.1-1 - Definitions.

    Science.gov (United States)

    2010-04-01

    ... TAXES UNDER THE TRADING WITH THE ENEMY ACT § 303.1-1 Definitions. (a) General. When used in this part... vested property or liable or charged with liability for internal revenue tax in connection with such... successor in interest by inheritance, devise, bequest, or operation of law, of such owner. (f) Trading With...

  7. USEEIOv1.1 - openLCA

    Data.gov (United States)

    U.S. Environmental Protection Agency — This is a version of the full USEEIO v1.1 model in the openLCA schema serialized as JSON-LD that can be imported into openLCA software (www.openlca.org) v1.5 and...

  8. 26 CFR 302.1-1 - Definitions.

    Science.gov (United States)

    2010-04-01

    ... TAXES UNDER THE INTERNATIONAL CLAIMS SETTLEMENT ACT, AS AMENDED AUGUST 9, 1955 § 302.1-1 Definitions. (a...” includes the officer in whom property is vested pursuant to title II of the International Claims Settlement... claiming an interest in vested property or liable or charged with liability for internal revenue tax in...

  9. General Relativity in (1 + 1) Dimensions

    Science.gov (United States)

    Boozer, A. D.

    2008-01-01

    We describe a theory of gravity in (1 + 1) dimensions that can be thought of as a toy model of general relativity. The theory should be a useful pedagogical tool, because it is mathematically much simpler than general relativity but shares much of the same conceptual structure; in particular, it gives a simple illustration of how gravity arises…

  10. The chemistry of 1,1-dithiolates

    DEFF Research Database (Denmark)

    Henriksen, Lars; Autrup, Herman

    1970-01-01

    The reaction of dipotassium 2-nitroethylene-1,1-dithiolate (III) with α-halogeno aldehydes or ketones leads to derivatives of 3-nitro-thiophene-2-thiols. These reactions proceed by an acid catalyzed cyclization of the initially formed 1-(acylmethylthio)-2-nitroethylene-1-thiolates (IV). The infra...

  11. Epitaxial growth of lithium fluoride on the (1 1 1) surface of CaF 2

    Science.gov (United States)

    Klumpp, St; Dabringhaus, H.

    1999-08-01

    Growth of lithium fluoride by molecular beam epitaxy on the (1 1 1) surface of calcium fluoride crystals was studied by TEM and LEED for crystal temperatures from 400 to 773 K and impinging lithium fluoride fluxes from 3×10 11 to 3×10 14 cm -2 s -1. Growth starts, usually, at the steps on the (1 1 1) surface of CaF 2. For larger step distances and at later growth stages also growth on the terraces between the steps is found. Preferably, longish, roof-like crystallites are formed, which can be interpreted by growth of LiF(2 0 1¯)[0 1 0] parallel to CaF 2(1 1 1)[ 1¯ 0 1]. To a lesser extent square crystallites, i.e. growth with LiF(0 0 1), and, rarely, three-folded pyramidal crystallites, i.e. growth with LiF(1 1 1) parallel to CaF 2(1 1 1), are observed. While the pyramidal crystallites show strict epitaxial orientation with LiF[ 1¯ 0 1]‖CaF 2[ 1¯ 0 1] and LiF[ 1¯ 0 1]‖CaF 2[1 2¯ 1], only about 80% of the square crystallites exhibit an epitaxial alignment, where LiF[1 0 0]‖CaF 2[ 1¯ 0 1] is preferred to LiF[1 1 0]‖CaF 2[ 1¯ 0 1]. The epitaxial relationships are discussed on the basis of theoretically calculated adsorption positions of the lithium fluoride monomer and dimer on the terrace and at the steps of the CaF 2(1 1 1) surface.

  12. The effect of the MgO buffer layer thickness on magnetic anisotropy in MgO/Fe/Cr/MgO buffer/MgO(001)

    Energy Technology Data Exchange (ETDEWEB)

    Kozioł-Rachwał, Anna, E-mail: a.koziolrachwal@aist.go.jp [National Institute of Advanced Industrial Science and Technology, Spintronics Research Center, Tsukuba, Ibaraki 305-8568 (Japan); AGH University of Science and Technology, Faculty of Physics and Applied Computer Science, al. Mickiewicza 30, 30-059 Kraków (Poland); Nozaki, Takayuki; Zayets, Vadym; Kubota, Hitoshi; Fukushima, Akio; Yuasa, Shinji [National Institute of Advanced Industrial Science and Technology, Spintronics Research Center, Tsukuba, Ibaraki 305-8568 (Japan); Suzuki, Yoshishige [National Institute of Advanced Industrial Science and Technology, Spintronics Research Center, Tsukuba, Ibaraki 305-8568 (Japan); Graduate School of Engineering Science, Osaka University, 1-3 Machikaneyama, Toyonaka, Osaka 560-8531 (Japan)

    2016-08-28

    The relationship between the magnetic properties and MgO buffer layer thickness d was studied in epitaxial MgO/Fe(t)/Cr/MgO(d) layers grown on MgO(001) substrate in which the Fe thickness t ranged from 0.4 nm to 1.1 nm. For 0.4 nm ≤ t ≤ 0.7 nm, a non-monotonic coercivity dependence on the MgO buffer thickness was shown by perpendicular magneto-optic Kerr effect magnetometry. For thicker Fe films, an increase in the buffer layer thickness resulted in a spin reorientation transition from perpendicular to the in-plane magnetization direction. Possible origins of these unusual behaviors were discussed in terms of the suppression of carbon contamination at the Fe surface and changes in the magnetoelastic anisotropy in the system. These results illustrate a method to control magnetic anisotropy in MgO/Fe/Cr/MgO(d) via an appropriate choice of MgO buffer layer thickness d.

  13. Comparison of the effects of esomeprazole 40 mg, rabeprazole 20 mg, lansoprazole 30 mg, and pantoprazole 40 mg on intragastrıc pH in extensive metabolizer patients with gastroesophageal reflux disease.

    Science.gov (United States)

    Çelebi, Altay; Aydın, Dinçer; Kocaman, Orhan; Konduk, Buğra Tolga; Şentürk, Ömer; Hülagü, Sadetin

    2016-09-01

    Studies on the therapeutic efficacy of proton pump inhibitors (PPIs) in patients with gastroesophageal reflux disease (GERD) have been recently published. In most of these studies, comparison of only two PPIs have been made. There are few studies on the comparison of four or more PPIs. We aimed to compare the acid inhibitory effects of esomeprazole 40 mg, rabeprazole 20 mg, lansoprazole 30 mg, and pantoprazole 40 mg on days 1 and 5 of treatment in patients with GERD, who were extensive metabolizers in regard to the CYP2C19 genotype. Helicobacter pylori-negative with typical symptoms of GERD patients were randomly divided into four treatment groups. Efficacy analysis on days 1 and 5 were performed on the four groups which comprised 10 (esomeprazole), 11 (rabeprazole), 10 (lansoprazole), and 10 (pantoprazole) patients. On day 1 of PPI treatment, the mean percentage of time with intragastric Ph>4 were 54%, 58%, 60%, and 35% for the groups, respectively, and on day 5, these values were 67%, 60%, 68%, and 59%, respectively. Esomeprazole, rabeprazole, and lansoprazole were found to be superior to pantoprazole on the first day of treatment. Pantoprazole is a less potent proton pump inhibitor than the other PPIs tested on the first day of treatment. When the time needed to raise the intragatric pH to over 4 was evaluated, esomeprazole was found to have the most rapid action, followed by lansoprazole and rabeprazole.

  14. SPARK Version 1.1 user manual

    International Nuclear Information System (INIS)

    Weissenburger, D.W.

    1988-01-01

    This manual describes the input required to use Version 1.1 of the SPARK computer code. SPARK 1.1 is a library of FORTRAN main programs and subprograms designed to calculate eddy currents on conducting surfaces where current flow is assumed zero in the direction normal to the surface. Surfaces are modeled with triangular and/or quadrilateral elements. Lorentz forces produced by the interaction of eddy currents with background magnetic fields can be output at element nodes in a form compatible with most structural analysis codes. In addition, magnetic fields due to eddy currents can be determined at points off the surface. Version 1.1 features eddy current streamline plotting with optional hidden-surface-removal graphics and topological enhancements that allow essentially any orientable surface to be modeled. SPARK also has extensive symmetry specification options. In order to make the manual as self-contained as possible, six appendices are included that present summaries of the symmetry options, topological options, coil options and code algorithms, with input and output examples. An edition of SPARK 1.1 is available on the Cray computers at the National Magnetic Fusion Energy Computer Center at Livermore, California. Another more generic edition is operational on the VAX computers at the Princeton Plasma Physics Laboratory and is available on magnetic tape by request. The generic edition requires either the GKS or PLOT10 graphics package and the IMSL or NAG mathematical package. Requests from outside the United States will be subject to applicable federal regulations regarding dissemination of computer programs. 22 refs

  15. SPARK Version 1. 1 user manual

    Energy Technology Data Exchange (ETDEWEB)

    Weissenburger, D.W.

    1988-01-01

    This manual describes the input required to use Version 1.1 of the SPARK computer code. SPARK 1.1 is a library of FORTRAN main programs and subprograms designed to calculate eddy currents on conducting surfaces where current flow is assumed zero in the direction normal to the surface. Surfaces are modeled with triangular and/or quadrilateral elements. Lorentz forces produced by the interaction of eddy currents with background magnetic fields can be output at element nodes in a form compatible with most structural analysis codes. In addition, magnetic fields due to eddy currents can be determined at points off the surface. Version 1.1 features eddy current streamline plotting with optional hidden-surface-removal graphics and topological enhancements that allow essentially any orientable surface to be modeled. SPARK also has extensive symmetry specification options. In order to make the manual as self-contained as possible, six appendices are included that present summaries of the symmetry options, topological options, coil options and code algorithms, with input and output examples. An edition of SPARK 1.1 is available on the Cray computers at the National Magnetic Fusion Energy Computer Center at Livermore, California. Another more generic edition is operational on the VAX computers at the Princeton Plasma Physics Laboratory and is available on magnetic tape by request. The generic edition requires either the GKS or PLOT10 graphics package and the IMSL or NAG mathematical package. Requests from outside the United States will be subject to applicable federal regulations regarding dissemination of computer programs. 22 refs.

  16. The chemistry of 1,1-dithiolates

    DEFF Research Database (Denmark)

    Henriksen, L.; Autrup, Herman

    1972-01-01

    A series of thieno[3,2-e]-3,4-dihydro-1,2,3-triazin-4-ones (V) and thieno[3,4-e]-3,4-dihydro-1,2,3-triazin-4-ones (VI) were prepared by diazotation of 3-aminothiophene-2-carboxamides (III) and 4-amino-thiophene-3-carboxamides (IV), respectively, both obtained by cyclization of 2-cyanoethylene-1,1...

  17. Release Notes for Whisper-1.1

    Energy Technology Data Exchange (ETDEWEB)

    Brown, Forrest B. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Rising, Michael Evan [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Alwin, Jennifer Louise [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2017-04-27

    Whisper is a statistical analysis package developed in 2014 to support nuclear criticality safety (NCS) validation [1-3]. It uses the sensitivity profile data for an application as computed by MCNP6 [4-6] along with covariance files [7,8] for the nuclear data to determine a baseline upper-subcritical-limit (USL) for the application. Whisper version 1.0 was first developed and used at LANL in 2014 [3]. During 2015-2016, Whisper was updated to version 1.1 [9] and is to be included with the upcoming release of MCNP6.2. This document describes the Whisper-1.1 package that will be included with the MCNP6.2 release during 2017. Specific details are provided on the computer systems supported, the software quality assurance (SQA) procedures, installation, and testing. This document does not address other important topics, such as the importance of sensitivity-uncertainty (SU) methods to NCS validation, the theory underlying SU methodology, tutorials on the usage of MCNP-Whisper, practical approaches to using SU methodology to support and extend traditional validation, etc. There are over 50 documents included with Whisper-1.1 and available in the MCNP Reference Collection on the MCNP website (mcnp.lanl.gov) that address all of those topics and more. In this document, however, a complete bibliography of relevant MCNP-Whisper references is provided.

  18. Carbon isotope fractionation of 1,1,1-trichloroethane during base-catalyzed persulfate treatment

    Energy Technology Data Exchange (ETDEWEB)

    Marchesi, Massimo, E-mail: m2marche@uwaterloo.ca [Department of Civil and Environmental Engineering, University of Waterloo, Waterloo, Ontario, Canada N2L 3G1 (Canada); Department of Earth and Environmental Sciences, University of Waterloo, Waterloo, Ontario, Canada N2L 3G1 (Canada); Thomson, Neil R. [Department of Civil and Environmental Engineering, University of Waterloo, Waterloo, Ontario, Canada N2L 3G1 (Canada); Aravena, Ramon [Department of Earth and Environmental Sciences, University of Waterloo, Waterloo, Ontario, Canada N2L 3G1 (Canada); Sra, Kanwartej S. [Department of Civil and Environmental Engineering, University of Waterloo, Waterloo, Ontario, Canada N2L 3G1 (Canada); Golder Associates Inc, Toronto, Ontario, Canada L5N 5Z7 (Canada); Otero, Neus; Soler, Albert [Departament de Cristal.lographia, Mineralogia i Diposits Minerals, Facultat de Geologia, Universitat de Barcelona, Barcelona, Spain 08028 (Spain)

    2013-09-15

    Highlights: • Treatability and C fractionation of 1,1,1-TCA by base-catalyzed S{sub 2}O{sub 8}{sup 2−} was studied. • The rate of degradation of 1,1,1-TCA increased with a higher OH{sup −}:S{sub 2}O{sub 8}{sup 2−} ratio. •Base-catalyzed S{sub 2}O{sub 8}{sup 2−} can potentially treat recalcitrant compound like 1,1,1-TCA. • An enrichment factor of −7.0‰ independent of the OH{sup −}:S{sub 2}O{sub 8}{sup 2−} ratio was obtained. • Carbon isotope can potentially be used to estimate the ISCO treatment efficacy. -- Abstract: The extent of carbon isotope fractionation during degradation of 1,1,1-trichloroethane (1,1,1-TCA) by a base-catalyzed persulfate (S{sub 2}O{sub 8}{sup 2−}) treatment system was investigated. Significant destruction of 1,1,1-TCA was observed at a pH of ∼12. An increase in the NaOH:S{sub 2}O{sub 8}{sup 2−} molar ratio from 0.2:1 to 8:1 enhanced the reaction rate of 1,1,1-TCA by a factor of ∼5 to yield complete (>99.9%) destruction. An average carbon isotope enrichment fractionation factor which was independent of the NaOH:S{sub 2}O{sub 8}{sup 2−} molar ratio of −7.0 ± 0.2‰ was obtained. This significant carbon isotope fractionation and the lack of dependence on changes in the NaOH:S{sub 2}O{sub 8}{sup 2−} molar ratio demonstrates that carbon isotope analysis can potentially be used in situ as a performance assessment tool to estimate the degradation effectiveness of 1,1,1-TCA by a base-catalyzed persulfate system.

  19. Vibrational properties of epitaxial silicene layers on (1 1 1) Ag

    International Nuclear Information System (INIS)

    Scalise, E.; Cinquanta, E.; Houssa, M.; Broek, B. van den; Chiappe, D.; Grazianetti, C.; Pourtois, G.; Ealet, B.; Molle, A.; Fanciulli, M.; Afanas’ev, V.V.; Stesmans, A.

    2014-01-01

    The electronic and vibrational properties of three different reconstructions of silicene on Ag(1 1 1) are calculated and compared to experimental results. The 2D epitaxial silicon layers, namely the (4 × 4), (√13 × √13) and (2√3 × 2√3) phases, exhibit different electronic and vibrational properties. Few peaks in the experimental Raman spectrum are identified and attributed to the vibrational modes of the silicene layers. The position and behavior of the Raman peaks with respect to the excitation energy are shown to be a fundamental tool to investigate and discern different phases of silicene on Ag(1 1 1).

  20. Abiotic and biotic transformations of 1,1,1-trichloroethane under methanogenic conditions

    International Nuclear Information System (INIS)

    Vogel, T.M.; McCarty, P.L.

    1987-01-01

    A common industrial solvent, 1,1,1-trichloroethane (TCA), is one of the most frequently found contaminants in ground water. The fate of TCA in ground water is complicated by the different possible abiotic and biotic transformations that it may undergo. Abiotic transformation of TCA can result in a mixture of 1,1-dichloro-ethylene (1,1-DCE) and acetic acid, as shown by others. This study confirms that TCA can be biotransformed by reductive dehalogenation to 1,1-dichloroethane (1,1-DCA) and chloroethane (CA) under methanogenic conditions. Also, reductive dehalogenation of 1,1-DCE to vinyl chloride (VC) is confirmed. This study demonstrates that these transformations can occur stoichiometrically. In addition, [ 14 C]TCA, [ 14 C]-1,1-DCA, [ 14 C]-1,1-DCE, [ 14 C]CA, and [ 14 C]VC were at least partially mineralized to 14 CO 2 under similar methanogenic conditions.23 references, 3 figures, 4 tables

  1. The molecular orientation of CO on Pd(1 1 1): a polarization-dependent SFG study

    Science.gov (United States)

    Galletto, Paolo; Unterhalt, Holger; Rupprechter, Günther

    2003-01-01

    The molecular orientation of carbon monoxide adsorbed on Pd(1 1 1) was examined by sum frequency generation (SFG) vibrational spectroscopy utilizing different polarization combinations of the visible and SFG light. This allows to determine the CO tilt angle with respect to the substrate, provided that a proper optical model for the interface can be defined. It is demonstrated that it is essential to invoke the βaac hyperpolarizability into the analysis and that polarization-dependent SFG of CO/Pd(1 1 1) yields information on βaac/ βccc rather than the tilt angle.

  2. Vibrational properties of epitaxial silicene layers on (1 1 1) Ag

    Energy Technology Data Exchange (ETDEWEB)

    Scalise, E., E-mail: emilio.scalise@fys.kuleuven.be [Semiconductor Physics Laboratory, Department of Physics and Astronomy, University of Leuven, Celestijnenlaan 200 D, B-3001 Leuven (Belgium); Cinquanta, E. [Laboratorio MDM, IMM-CNR, via C. Olivetti 2, I-20864 Agrate Brianza (MB) (Italy); Houssa, M.; Broek, B. van den [Semiconductor Physics Laboratory, Department of Physics and Astronomy, University of Leuven, Celestijnenlaan 200 D, B-3001 Leuven (Belgium); Chiappe, D. [Laboratorio MDM, IMM-CNR, via C. Olivetti 2, I-20864 Agrate Brianza (MB) (Italy); Grazianetti, C. [Laboratorio MDM, IMM-CNR, via C. Olivetti 2, I-20864 Agrate Brianza (MB) (Italy); Aix-Marseille University, CNRS-CINaM, Campus de Luminy, Case 913, 13288 Marseille Cedex 09 (France); Pourtois, G. [IMEC, 75 Kapeldreef, B-3001 Leuven (Belgium); Department of Chemistry, Plasmant Research Group, University of Antwerp, B-2610 Wilrijk-Antwerp (Belgium); Ealet, B. [Aix-Marseille University, CNRS-CINaM, Campus de Luminy, Case 913, 13288 Marseille Cedex 09 (France); Molle, A. [Laboratorio MDM, IMM-CNR, via C. Olivetti 2, I-20864 Agrate Brianza (MB) (Italy); Fanciulli, M. [Laboratorio MDM, IMM-CNR, via C. Olivetti 2, I-20864 Agrate Brianza (MB) (Italy); Dipartimento di Scienza dei Materiali, Università degli Studi di Milano Bicocca, via R. Cozzi 53, I-20126 Milano (MI) (Italy); Afanas’ev, V.V.; Stesmans, A. [Semiconductor Physics Laboratory, Department of Physics and Astronomy, University of Leuven, Celestijnenlaan 200 D, B-3001 Leuven (Belgium)

    2014-02-01

    The electronic and vibrational properties of three different reconstructions of silicene on Ag(1 1 1) are calculated and compared to experimental results. The 2D epitaxial silicon layers, namely the (4 × 4), (√13 × √13) and (2√3 × 2√3) phases, exhibit different electronic and vibrational properties. Few peaks in the experimental Raman spectrum are identified and attributed to the vibrational modes of the silicene layers. The position and behavior of the Raman peaks with respect to the excitation energy are shown to be a fundamental tool to investigate and discern different phases of silicene on Ag(1 1 1).

  3. Numerical simulations of N=(1,1) 1+1-dimensional super Yang-Mills theory with large supersymmetry breaking

    International Nuclear Information System (INIS)

    Filippov, I.; Pinsky, S.

    2002-01-01

    We consider the N=(1,1) super Yang-Mills (SYM) theory that is obtained by dimensionally reducing SYM theory in 2+1 dimensions to 1+1 dimensions and discuss soft supersymmetry breaking. We discuss the numerical simulation of this theory using supersymmetric discrete light-cone quantization when either the boson or the fermion has a large mass. We compare our result to the pure adjoint fermion theory and pure adjoint boson discrete light-cone quantization calculations of Klebanov, Demeterfi, Bhanot and Kutasov. With a large boson mass we find that it is necessary to add additional operators to the theory to obtain sensible results. When a large fermion mass is added to the theory we find that it is not necessary to add operators to obtain a sensible theory. The theory of the adjoint boson is a theory that has stringy bound states similar to the full SYM theory. We also discuss another theory of adjoint bosons with a spectrum similar to that obtained by Klebanov, Demeterfi, and Bhanot

  4. SORPTION, DIFFUSION AND PERMEATION OF 1,1,1- TRICHLOROETHANE THROUGH ADSORBENT-FILLED POLYMERIC MEMBRANES

    Science.gov (United States)

    Addition of hydrophobic absorbents such as activated carbon into polymeric mebranes increased the sorption capacity for 1,1,1-trichloroethane premeability of the mebranes used in the Pervaporation mode. Water permeability also increased for all filled membranes due to increased w...

  5. Potential of zero free charge of Pd overlayers on Pt(1 1 1)

    International Nuclear Information System (INIS)

    El-Aziz, A.M.; Hoyer, R.; Kibler, L.A.; Kolb, D.M.

    2006-01-01

    Differential capacitance measurements of Pd overlayers on a Pt(1 1 1) electrode in dilute aqueous NaF solutions have been performed as a function of film thickness in order to determine the potential of zero free charge (pzfc). The pzfc of the first, pseudomorphic Pd monolayer on Pt(1 1 1) is -0.21 V versus SCE. By increasing the amount of deposited Pd, a clear shift of the pzfc to more positive values is observed. After deposition of an equivalent of 10 monolayers, the value approaches that of a massive Pd(1 1 1) electrode (-0.12 V versus SCE). The pzfc's for the various Pd coverages are correlated with surface structure information, derived from STM images (R. Hoyer, L.A. Kibler, D.M. Kolb, Electrochim. Acta 49 (2003) 63). Variations in the pzfc are discussed in the context of an electronic modification by the underlying substrate and are compared with corresponding data for Pd overlayers on Au(1 1 1)

  6. Dehydrochlorination of 1,1,1-trichloroethane and pentachloroethane by microbially reduced ferruginous smectite.

    Science.gov (United States)

    Cervini-Silva, Javiera; Kostka, Joel E; Larson, Richard A; Stucki, Joseph W; Wu, Jun

    2003-05-01

    Reduction of structural Fe(III) in smectite clay minerals has been identified as a means to promote dechlorination of polychlorinated ethanes, but its environmental significance has yet to be fully assessed because Fe reduction has normally been achieved by agents uncommon in the environment (e.g., dithionite). This study reports the dehydrochlorination of pentachloroethane and 1,1,1-trichloroethane in the presence of ferruginous smectite reduced by two cultures of microorganisms, Shewanella oneidensis strain MR-1 (MR-R) and an enrichment culture from rice paddy soils (PS-R), in aqueous suspension under anoxic conditions. Microbially reduced ferruginous smectite facilitated dehydrochlorination of 1,1,1-trichloroethane to 1,1-dichloroethene with up to 60% conversion within 3 h of incubation time. In contrast, no formation of 1,1-dichloroethene was observed after incubation of 1,1,1-trichloroethane with chemically reduced ferruginous smectite for 24 h. Microbially reduced ferruginous smectite by MR-R and PS-R promoted the dehydrochlorination of pentachloroethane to tetrachloroethene by 80 and 15%, respectively, after 3 h of incubation time. The conversion of pentachloroethane to tetrachloroethene in the presence of chemically reduced ferruginous smectite after 24 h was 65%. These results indicate that structural Fe(II) in clay minerals has the potential to be an important reductant controlling the fate of organic chemicals in contaminated sediments.

  7. Helium diffraction study of pentacene films on Au(1 1 1)

    Energy Technology Data Exchange (ETDEWEB)

    Albayrak, E. [Department of Materials and Metallurgical Engineering, Ahi Evran University, Kırşehir 40000 (Turkey); Danışman, M.F., E-mail: danisman@metu.edu.tr [Department of Chemistry, Middle East Technical University, Ankara 06531 (Turkey)

    2014-03-01

    Highlights: • Pentacene films were grown by supersonic molecular beam deposition on Au(1 1 1). • Simultaneous helium scattering and quartz crystal resonance frequency shift measurements were performed. • Helium diffraction results were consistent with a (6 × 3) monolayer structure. • No ordered multilayers could be observed. - Abstract: Here we present a helium atom diffraction study of pentacene films on Au(1 1 1) surface prepared by supersonic molecular beam deposition. Though investigated parameter space was limited no significant difference between the films prepared by different deposition energies was observed. Completion of monolayer coverage was confirmed by simultaneous helium scattering and quartz crystal resonance frequency shift measurements during pentacene film growth on the gold electrode of a quartz resonator. Monolayer films were found to adopt a (6 × 3) unit cell which was also observed for pentacene monolayers on Ag(1 1 1). However no ordered multilayer film structure could be observed which is in contrast with the previous Ag(1 1 1) studies.

  8. Facile electrochemical transfer of large-area single crystal epitaxial graphene from Ir(1 1 1)

    DEFF Research Database (Denmark)

    Koefoed, Line; Kongsfelt, Mikkel; Ulstrup, Søren

    2015-01-01

    they are grown on (diameter ≈7 mm). In addition, the substrate can be reused for further growth cycles. A detailed Raman map analysis of the transferred graphene reveals straight lines, in which the Raman peaks characteristic for graphene are shifted. These lines originate from scratches in the Ir(1 1 1) crystal...

  9. Cardiomyopathy from 1,1-Difluoroethane Inhalation.

    Science.gov (United States)

    Kumar, Suwen; Joginpally, Tejaswini; Kim, David; Yadava, Mrinal; Norgais, Konchok; Laird-Fick, Heather S

    2016-10-01

    Consumer aerosol products can be inhaled for their psychoactive effects, but with attendant adverse health effects including "sudden sniffing death." Cardiomyopathy has rarely been described in association with 1,1-difluoroethane (DFE), a common aerosol propellant. We report a 33-year-old male who developed acute myocardial injury and global hypokinesis along with rhabdomyolysis, acute kidney injury, and fulminant hepatitis after 2 days' nearly continuous huffing. Workup for other causes, including underlying coronary artery disease, was negative. His cardiac function improved over time. The exact mechanism of DFE's effects is uncertain but may include catecholamine-induced cardiomyopathy, coronary vasospasm, or direct cellular toxicity.

  10. VANDAL user guide. V. 1.1

    International Nuclear Information System (INIS)

    Unsworth, M.D.

    1989-02-01

    This document forms Volume 1.1 of the VANDAL User Guide and is intended to provide all the information necessary to define and run a case study. Information is given on the data to be specified, on the structure of the input data files and on how to execute the system. There are three related volumes to this, they are: Volume 1.2 - Input and Execution Appendices; Volume 2.1 - Ouput and Error Messages; and Volume 2.2 - PRA Output Analysis. (author)

  11. User Manual for Whisper-1.1

    Energy Technology Data Exchange (ETDEWEB)

    Brown, Forrest B. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Rising, Michael Evan [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Alwin, Jennifer Louise [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2017-01-26

    Whisper is a statistical analysis package developed in 2014 to support nuclear criticality safety (NCS) validation [1-3]. It uses the sensitivity profile data for an application as computed by MCNP6 [4-6] along with covariance files [7,8] for the nuclear data to determine a baseline upper-subcritical-limit (USL) for the application. Whisper version 1.0 was first developed and used at LANL in 2014 [3]. During 2015- 2016, Whisper was updated to version 1.1 and is to be included with the upcoming release of MCNP6.2. This document describes the user input and options for running whisper-1.1, including 2 perl utility scripts that simplify ordinary NCS work, whisper_mcnp.pl and whisper_usl.pl. For many detailed references on the theory, applications, nuclear data & covariances, SQA, verification-validation, adjointbased methods for sensitivity-uncertainty analysis, and more – see the Whisper – NCS Validation section of the MCNP Reference Collection at mcnp.lanl.gov. There are currently over 50 Whisper reference documents available.

  12. User Manual for Whisper-1.1

    International Nuclear Information System (INIS)

    Brown, Forrest B.; Rising, Michael Evan; Alwin, Jennifer Louise

    2017-01-01

    Whisper is a statistical analysis package developed in 2014 to support nuclear criticality safety (NCS) validation [1-3]. It uses the sensitivity profile data for an application as computed by MCNP6 [4-6] along with covariance files [7,8] for the nuclear data to determine a baseline upper-subcritical-limit (USL) for the application. Whisper version 1.0 was first developed and used at LANL in 2014 [3]. During 2015- 2016, Whisper was updated to version 1.1 and is to be included with the upcoming release of MCNP6.2. This document describes the user input and options for running whisper-1.1, including 2 perl utility scripts that simplify ordinary NCS work, whisper_mcnp.pl and whisper_usl.pl. For many detailed references on the theory, applications, nuclear data & covariances, SQA, verification-validation, adjointbased methods for sensitivity-uncertainty analysis, and more - see the Whisper - NCS Validation section of the MCNP Reference Collection at mcnp.lanl.gov. There are currently over 50 Whisper reference documents available.

  13. Ab initio study of MgH2 formation

    International Nuclear Information System (INIS)

    Novakovic, Nikola; Matovic, Ljiljana; Novakovic, Jasmina Grbovic; Manasijevic, Miodrag; Ivanovic, Nenad

    2009-01-01

    Even if there is considerable literature dealing with structure and properties of MgH 2 compound there are still some uncertain details about nature of bonding governing its formation and decomposition. In order to better understand the processes essential for absorption and desorption of MgH 2 , ab initio DFT based calculations of rutile MgH 2 compound, elemental hcp-Mg, and three different hypothetical hcp-Mg-derived hydrides are performed. Our findings show that all structures are unstable, and that MgH (Wurtzite) is a closest possible candidate for intermediate phase between the hcp-Mg and MgH 2 at 1:1 stoichiometry. An alternative hydration pathway is suggested, including promotion of hcp-Mg to bcc-Mg and consecutive transformation to rutile MgH 2 by means of hydrogen incorporation into Mg matrix. Rutile MgH 2 calculations with various hydrogen vacancies concentration are performed. Calculation shows that at high hydrogen concentration close to 1:2, stable substoichiometric hydride is possible. Calculation also shows that high vacancy (low hydrogen) concentration favors bcc-Mg 2 H over rutile Mg 2 H structure.

  14. Critical N = (1, 1) general massive supergravity

    Science.gov (United States)

    Deger, Nihat Sadik; Moutsopoulos, George; Rosseel, Jan

    2018-04-01

    In this paper we study the supermultiplet structure of N = (1, 1) General Massive Supergravity at non-critical and critical points of its parameter space. To do this, we first linearize the theory around its maximally supersymmetric AdS3 vacuum and obtain the full linearized Lagrangian including fermionic terms. At generic values, linearized modes can be organized as two massless and 2 massive multiplets where supersymmetry relates them in the standard way. At critical points logarithmic modes appear and we find that in three of such points some of the supersymmetry transformations are non-invertible in logarithmic multiplets. However, in the fourth critical point, there is a massive logarithmic multiplet with invertible supersymmetry transformations.

  15. ORCID implementation in Invenio 1.1

    CERN Multimedia

    CERN. Geneva

    2017-01-01

    We present an extension to the Invenio 1.1 software for semi-automatically harvesting ORCID IDs of users and allowing them to upload publications to their respective ORCID profile. This extension was created in the context of the Join2 initiative, however, it can easily be adapted to other Invenio instances because it is only loosely coupled with Invenio itself. It opens its own local webserver to handle the additional endpoints, and calls Invenio API functions and command line programs to interact with the database. We also present a recommended workflow for successfully harvesting ORCID ID in an institution. The implementation is realised in well-documented Python 2.6 and Go and will be published as Free Software.

  16. Test OPTRAN 1-1 results

    International Nuclear Information System (INIS)

    Martinson, Z.R.

    1982-01-01

    The objective of the OPT 1-1 Test Series was to evaluate the extent of damage and the threshold for failure during simulated BWR anticipated transients. Four power transient tests with progressively higher power levels were performed with preirradiated fuel rods at power ramp rates as high as 550 kW/m per second. Six separately shrouded fuel rods fabricated by the General Electric Co., and preirradiated in the Monticello BWR to burnups of about 5000 to 23,000 MWd/t were tested, four at a time. Four of the fuel rods were of typical GE 8 x 8 design, except for fuel length (0.75 m). Two of the rods included design modifications to improve their PCI-resistant characteristics. A lengthy fuel conditioning preceded the transient testing of the fuel rods

  17. Theophylline–gentisic acid (1/1

    Directory of Open Access Journals (Sweden)

    Srinivasulu Aitipamula

    2009-09-01

    Full Text Available In the title 1:1 cocrystal, C7H8N4O2·C7H6O4, the anti-asthmatic drug theophylline (systematic name: 1,3-dimethyl-7H-purine-2,6-dione and a non-steroidal anti-inflammatory drug, gentisic acid (systematic name: 2,5-dihydroxybenzoic acid crystallize together, forming two-dimensional hydrogen-bonded sheets involving N—H...O and O—H...N hydrogen bonds. The overall crystal packing features π–π stacking interactions [centroid–centroid distance = 3.348 (1 Å]. The cocrystal described herein belongs to the class of pharmaceutical cocrystals involving two active pharmaceutical ingredients which has been relatively unexplored to date.

  18. Bond length effects during the dissociation of O2 on Ni(1 1 1)

    International Nuclear Information System (INIS)

    Shuttleworth, I.G.

    2015-01-01

    Graphical abstract: - Highlights: • The dissociation of O 2 on Ni(1 1 1) has been investigated using the Nudged Elastic Band (NEB) technique. • An exceptional correlation has been identified between the O/Ni bond order and the O 2 bond length for a series of sterically different reaction paths. • Direct magnetic phenomena accompany these processes suggesting further mechanisms for experimental control. - Abstract: The interaction between O 2 and Ni(1 1 1) has been investigated using spin-polarised density functional theory. A series of low activation energy (E A = 103–315 meV) reaction pathways corresponding to precursor and non-precursor mediated adsorption have been identified. It has been seen that a predominantly pathway-independent correlation exists between O−Ni bond order and the O 2 bond length. This correlation demonstrates that the O−O interaction predominantly determines the bonding of this system

  19. Selectivity switch for nitrogen functionalization of styrene on Au(1 1 1)

    Science.gov (United States)

    Deng, Xingyi; Friend, Cynthia M.

    2008-03-01

    Functionalization of styrene to form N-containing hydrocarbons, e.g. 2-phenylaziridine, benzonitrile, and benzyl nitrile, is achieved by reaction with adsorbed NH a and N a on Au(1 1 1). Electron-induced decomposition of condensed NH 3 was used to produce NH a, N a and H a on Au(1 1 1) at 110 K. The selectivity of the reactions is strongly dependent on the relative concentrations of the surface species. The addition of NH to styrene results in the production of 2-phenylaziridine, whereas adsorbed N and H atoms lead to the formation of nitriles benzonitrile and benzyl nitrile and, respectively, ethylbenzene. This work clearly establishes the utility of Au for promoting functionalization of olefins with nitrogen.

  20. Magnetic and electronic properties of a Pt-Co bilayer on Pt(1 1 1)

    International Nuclear Information System (INIS)

    Giovanelli, L.; De Santis, M.; Panaccione, G.; Sirotti, F.; Torelli, P.; Vobornik, I.; Larcipretea, R.; Egger, S.; Saint-Lager, M.C.; Dolle, P.; Rossi, G.

    2005-01-01

    Atomically thin Co/Pt(1 1 1) interfaces grown at different temperatures are characterized by very different values of perpendicular magnetic anisotropy as a consequence of the local structure and coordination. Here we present a study of the structural, magnetic and electronic properties for interfaces grown in UHV onto clean Pt(1 1 1) in different kinetic conditions. When one monolayer of Co is deposited at 540 K a thermally activated exchange reaction leads to a sharp Pt-Co double interface giving rise to a strong increase of the magneto-optical response with respect to the Co monolayer deposited at room temperature. The results are interpreted in terms of atomic hybridization as detected by valence band photoelectron spectroscopy

  1. Growth of pentacene on Ag(1 1 1) surface: A NEXAFS study

    International Nuclear Information System (INIS)

    Pedio, M.; Doyle, B.; Mahne, N.; Giglia, A.; Borgatti, F.; Nannarone, S.; Henze, S.K.M.; Temirov, R.; Tautz, F.S.; Casalis, L.; Hudej, R.; Danisman, M.F.; Nickel, B.

    2007-01-01

    Thin films of pentacene (C 22 H 14 ) have become widely used in the field of organic electronics. Here films of C 22 H 14 of thickness ranging from submonolayer to multilayer were thermally deposited on Ag(1 1 1) surface. The determination of molecular geometry in pentacene films on Ag(1 1 1) studied by X-ray absorption at different stages of growth up to one monolayer is presented. XAS spectra at the C K-edge were collected as a function of the direction of the electric field at the surface. The different features of the spectra were assigned to resonances related to the various molecular unoccupied states by the comparison with the absorption coefficient of the pentacene gas phase. The transitions involving antibonding π states show a pronounced angular dependence for all the measured coverages, from submonolayer to multilayer. The spectra analysis indicates a nearly planar chemisorption of the first pentacene layer with a tilt angle of 10 o

  2. Novel surface diffusion characteristics for a robust pentacene derivative on Au(1 1 1) surfaces

    Science.gov (United States)

    Miller, Ryan A.; Larson, Amanda; Pohl, Karsten

    2017-06-01

    Molecular dynamics simulations have been performed in both the ab initio and classical mechanics frameworks of 5,6,7-trithiapentacene-13-one (TTPO) molecules on flat Au(1 1 1) surfaces. Results show new surface diffusion characteristics including a strong preference for the molecule to align its long axis parallel to the sixfold Au(1 1 1) symmetry directions and subsequently diffuse along these close-packed directions, and a calculated activation energy for diffusion of 0.142 eV, about four times larger than that for pure pentacene on Au. The temperature-dependent diffusion coefficients were calculated to help quantify the molecular mobility during the experimentally observed process of forming self-assembled monolayers on gold electrodes.

  3. Pharmacological Characterization of the Discriminative Stimulus of Inhaled 1,1,1-Trichloroethane

    OpenAIRE

    Shelton, Keith L.

    2010-01-01

    The present study examined the involvement of the GABAA, N-methy-d-aspartate (NMDA), nicotinic acetylcholine, and μ-opioid receptor systems in the transduction of the discriminative stimulus effects of the abused inhalant 1,1,1-trichloroethane (TCE). Sixteen B6SJLF1/J mice were trained to discriminate 10 min of exposure to 12,000-ppm inhaled TCE vapor from air. Substitution and antagonism tests and TCE blood concentration analysis were subsequently conducted. TCE blood concentrations decrease...

  4. National Ignition Facility subsystem design requirements transportation and handling, SSDR 1.1.1.3.2

    International Nuclear Information System (INIS)

    Yakuma, S.; McNairy, R.

    1996-01-01

    This Subsystem Design Requirement document is a development specification that establishes the performance, design, development, and test requirements for the Transportation ampersand Material Handling Systems (WBS 1.1.1.3.2) of the NIF Laser System (WBS 1.3 and 1.4). The NIF is a multi-pass, 192-beam, high-power, neodymium-glass laser that meets requirements set forth in the NIF SDR 002 (Laser System). 5 figs

  5. Magnetic properties of a Cr trimer on Au(1 1 1) surface

    International Nuclear Information System (INIS)

    Antal, A.; Udvardi, L.; Ujfalussy, B.; Lazarovits, B.; Szunyogh, L.; Weinberger, P.

    2007-01-01

    A Cr trimer on Au(1 1 1) surface has been studied by means of a relativistic Green's function embedding technique [B. Ujfalussy, B. Lazarovits, L. Szunyogh, G.M. Stocks, P. Weinberger, Phys. Rev. B 70 (2004) 100404(R)]. In terms of the magnetic force theorem we fit parameters of an extended Heisenberg model. We then solve the Landau-Lifshitz-Gilbert equations in order to find the ground-state and to study the spin-dynamical properties of the cluster

  6. Ultrathin alumina film on Cu 9at%Al(1 1 1)

    Science.gov (United States)

    Napetschnig, E.; Schmid, M.; Varga, P.

    2008-05-01

    We have investigated the structure of the clean and the oxidized (1 1 1) surface of a Cu-Al alloy with 9 at% Al by scanning tunneling microscopy (STM), Auger electron spectroscopy (AES), low energy ion scattering (LEIS) and low energy electron diffraction (LEED). Annealing of the clean crystal at 680 °C leads to segregation of Al to the surface. The Al concentration at the annealed surface is 23 ± 2% and domains with a (√3 × √3)R30° superstructure are visible, as well as small Cu(1 1 1) areas and disordered patches. Oxidation at 680 °C leads to the formation of a well-ordered flat alumina film with two very similar oxide structures. One oxide structure has a nearly commensurate rectangular cell rotated by 30° with respect to a close-packed row of the substrate and grows in three different domains. The second structure has a commensurate cell consisting of four equivalent building blocks and has a rectangular centered symmetry. This structure is rotated by 18° with respect to a close-packed row of the substrate and grows in six different domains. The rectangular building blocks of these two oxide structures have a similar thickness, the same surface termination and the same number and arrangement of the atoms as the oxide film on NiAl(1 1 0) [G. Kresse, M. Schmid, E. Napetschnig, M. Shishkin, L. Köhler, P. Varga, Science 308 (2005) 1448]. In contrast to the oxide on NiAl(1 1 0), alumina on the Cu-Al alloy crystal does not show stress-induced domain boundaries and grows in large defect-free domains. Thus, Pd deposited on this oxide nucleates not only on domain boundaries and steps but also on the unperturbed oxide, forming (1 1 1)-oriented clusters.

  7. Bi induced step-flow growth in the homoepitaxial growth of Au(1 1 1)

    International Nuclear Information System (INIS)

    Kamiko, M.; Mizuno, H.; Chihaya, H.; Xu, J.-H.; Kojima, I.; Yamamoto, R.

    2005-01-01

    Homoepitaxial growth of Au on Bi-covered Au(1 1 1) was studied at room temperature using reflection high-energy electron diffraction (RHEED) and Auger electron spectroscopy (AES). From observations of RHEED it is found that the Au(1 1 1) (23 x 1) reconstruction structure changes to a (1 x 1) by about 0.16-0.5 ML deposition of Bi and to a (2√3 x 2√3)R30 deg by about 1.0 ML deposition of Bi, respectively. The surface morphology evolution by Bi deposition leads to a change of Au homoepitaxial growth behavior from layer-by-layer to step flow. This indicates that the surface diffusion distance of Au atoms on the Bi-precovered (1 x 1) and (2√3 x 2√3)R30 deg surfaces is longer than that on the Au(1 1 1) (23 x 1) clean surfaces. A strong surface segregation of Bi was found at top of surface. It is concluded that Bi atoms acted as an effective surfactant in the Au homoepitaxial growth by promoting Au intralayer mass transport

  8. Effect of different seawater Mg

    NARCIS (Netherlands)

    Mewes, A.; Langer, G.; de Nooijer, L.J.; Bijma, J.; Reichart, G.J.

    2014-01-01

    Magnesium, incorporated in foraminiferal calcite (Mg/CaCC), is used intensively to reconstruct past seawater temperatures but, in addition to temperature, the Mg/CaCC of foraminiferal tests also depends on the ratio of Mg and Ca in seawater (Mg/CaSW). The physiological mechanisms responsible for

  9. Rhodium deposition onto a 4-mercaptopyridine SAM on Au(1 1 1)

    Energy Technology Data Exchange (ETDEWEB)

    Manolova, M. [Institute of Electrochemistry, University of Ulm, 89069 Ulm (Germany); Kayser, M. [Institute of Electrochemistry, University of Ulm, 89069 Ulm (Germany); Kolb, D.M. [Institute of Electrochemistry, University of Ulm, 89069 Ulm (Germany)]. E-mail: dieter.kolb@uni-ulm.de; Boyen, H.-G. [Institute of Solid State Physics, University of Ulm, 89069 Ulm (Germany); Ziemann, P. [Institute of Solid State Physics, University of Ulm, 89069 Ulm (Germany); Mayer, D. [BASF Electronic Materials GmbH, 67056 Ludwigshafen (Germany); Wirth, A. [BASF Electronic Materials GmbH, 67056 Ludwigshafen (Germany)

    2007-02-10

    The application of a recently developed method for the deposition of Pd and Pt on top of a SAM, has been successfully extended to Rh, thus proving the versatility of the new concept. Experimental evidence from cyclic voltammetry, in situ STM and ex situ X-ray photoemission spectroscopy is presented for the deposition of monoatomic high rhodium islands onto a 4-mercaptopyridine self-assembled monolayer on a Au(1 1 1) electrode. By repetitive complexation of the Rh ions to the ring-nitrogen and reduction in a Rh-ion free solution, an almost completely covered SAM is obtained. The consequences of making contacts for molecular electronics are briefly discussed.

  10. On the separation of enantiomers of 1,1,1,2-tetrafluoroiodoethane by IR multiphoton excitation

    International Nuclear Information System (INIS)

    Pochert, J.; Quack, M.; Seyfang, G.

    2002-01-01

    The first attempt to separate enantiomers of chiral molecules using IR-multiphoton excitation with circularly polarized light is reported. 1,1,1,2-Tetrafuoroiodoethane CF 3 CHFI has been chosen as its IR-spectroscopy and its IR-photochemistry is well characterized by our previous work. A theoretical model based on a master equation is presented to predict the enrichment factor. The experimental results show that the experimental sensitivity must be improved to reach the limit of the theoretical prediction. (author)

  11. Time-resolved study of formate on Ni( 1 1 1 ) by picosecond SFG spectroscopy

    Science.gov (United States)

    Kusafuka, K.; Noguchi, H.; Onda, K.; Kubota, J.; Domen, K.; Hirose, C.; Wada, A.

    2002-04-01

    Time-resolved vibrational measurements were carried out on formate (HCOO) adsorbed on Ni(1 1 1) surface by combining the sum-frequency generation method and picosecond laser system (time resolution of 6 ps). Rapid intensity decrease (within the time resolution) followed by intensity recovery (time constant of several tens of ps) of CH stretching signal was observed when picosecond 800 nm pulse was irradiated on the sample surface. From the results of temperature and pump fluence dependences of temporal behaviour of signal intensity, we concluded that the observed intensity change was induced by non-thermal process. Mechanism of the temporal intensity change was discussed.

  12. Dissociative properties of 1,1,1,2-tetrafluoroethane obtained by computational chemistry

    Science.gov (United States)

    Hayashi, Toshio; Ishikawa, Kenji; Sekine, Makoto; Hori, Masaru

    2018-06-01

    The electronic properties and dissociative channels of the alternative to the CCl2F2 (CFC-12) refrigerant, 1,1,1,2-tetrafluoroethane (HFC-134a) with a low global warming potential (GWP, 1430), were revealed by computational chemistry. The results show that CF3 + and CHF2 + ions are mainly produced by ionization. The CF3CH2 + ion is produced by ion pair formation and by direct ionization in the energy region higher than approximately 15 eV, but also in small amounts by the ionization of the dissociated CF3CH2 radical. This information is useful for etching process engineers in leading-edge semiconductor manufacturing.

  13. Alkali adsorption on Ni(1 1 1) and their coadsorption with CO and O

    International Nuclear Information System (INIS)

    Politano, A.; Formoso, V.; Chiarello, G.

    2008-01-01

    The adsorption of alkalis (Na, K) on Ni(1 1 1) and their coadsorption with CO and O were studied by high-resolution electron energy loss spectroscopy. Loss measurements of clean alkali adlayers provided the expected behaviour of the alkali-substrate vibration energy as a function of the alkali coverage. This result was achieved by eliminating any trace of CO contamination from the alkali adlayer. As a matter of fact, a significant softening of the alkali-Ni vibration energy was revealed in the alkali + CO coadsorbed phase. Moreover, alkali coadsorption with oxygen caused a weakening of the O-Ni bond and a strengthening of the alkali-Ni bond

  14. Surface morphology and electronic structure of halogen etched InAs (1 1 1)

    Energy Technology Data Exchange (ETDEWEB)

    Eassa, N., E-mail: nashwa.eassa@nmmu.ac.za [Department of Physics, Nelson Mandela Metropolitan University, P.O. Box 77000, Port Elizabeth 6031 (South Africa); Murape, D.M. [Department of Physics, Nelson Mandela Metropolitan University, P.O. Box 77000, Port Elizabeth 6031 (South Africa); Betz, R. [Department of Chemistry, Nelson Mandela Metropolitan University (South Africa); Neethling, J.H.; Venter, A.; Botha, J.R. [Department of Physics, Nelson Mandela Metropolitan University, P.O. Box 77000, Port Elizabeth 6031 (South Africa)

    2012-05-15

    The reaction of halogen-based etchants with n-InAs (1 1 1)A and the resulting surface morphology and surface electronic structure are investigated using field emission scanning electron microscopy and Raman spectroscopy. Using the intensity ratio of the unscreened longitudinal optical (LO) phonon to the transverse optical (TO) phonon in the Raman spectrum, a significant reduction in band bending is deduced after exposure of the InAs surface to HCl:H{sub 2}O, Br-methanol and I-ethanol for moderate times and concentrations. These procedures also lead to smooth and defect-free InAs surfaces. The improvements in surface properties are reversed, however, if the concentrations of the etchants are increased or the etch time is too long. In the worst cases, pit formation and inverted pyramids with {l_brace}1 1 1{r_brace} side facets are observed. The influence of the etchant concentration and etch time on the morphological and electronic properties of the etched surfaces is reported.

  15. Surface morphology and electronic structure of halogen etched InAs (1 1 1)

    International Nuclear Information System (INIS)

    Eassa, N.; Murape, D.M.; Betz, R.; Neethling, J.H.; Venter, A.; Botha, J.R.

    2012-01-01

    The reaction of halogen-based etchants with n-InAs (1 1 1)A and the resulting surface morphology and surface electronic structure are investigated using field emission scanning electron microscopy and Raman spectroscopy. Using the intensity ratio of the unscreened longitudinal optical (LO) phonon to the transverse optical (TO) phonon in the Raman spectrum, a significant reduction in band bending is deduced after exposure of the InAs surface to HCl:H 2 O, Br–methanol and I–ethanol for moderate times and concentrations. These procedures also lead to smooth and defect-free InAs surfaces. The improvements in surface properties are reversed, however, if the concentrations of the etchants are increased or the etch time is too long. In the worst cases, pit formation and inverted pyramids with {1 1 1} side facets are observed. The influence of the etchant concentration and etch time on the morphological and electronic properties of the etched surfaces is reported.

  16. RSCAT_LEVEL_2B_OWV_COMP_12_V1.1:1

    Data.gov (United States)

    National Aeronautics and Space Administration — This dataset contains the RapidScat Level 2B 12.5km Version 1.1 science-quality ocean surface wind vectors. The Level 2B wind vectors are binned on a 12.5 km Wind...

  17. Optimizing the planar structure of (1 1 1) Au/Co/Au trilayers

    International Nuclear Information System (INIS)

    Kumah, D P; Cebollada, A; Clavero, C; Garcia-MartIn, J M; Skuza, J R; Lukaszew, R A; Clarke, R

    2007-01-01

    Au/Co/Au trilayers are interesting for a range of applications which exploit their unusual optical and electronic transport behaviour in a magnetic field. Here we present a comprehensive structural and morphological study of a series of trilayers with 0-7 nm Co layer thickness fabricated on glass by ultrahigh vacuum vapour deposition. We use a combination of in situ electron diffraction, atomic force microscopy and x-ray scattering to determine the optimum deposition conditions for highly textured, flat and continuous layered structures. The 16 nm Au-on-glass buffer layer, deposited at ambient temperature, is found to develop a smooth (1 1 1) texture on annealing at 350 deg. C for 10 min. Subsequent growth of the Co layer at 150 deg. C produces a (1 1 1) textured film with lateral grain size of ∼150 nm in the 7 nm-thick Co layer. A simultaneous in-plane and out-of-plane Co lattice expansion is observed for the thinnest Co layers, converging to bulk values for the thickest films. The roughness of the Co layer is similar to that of the Au buffer layer, indicative of conformal growth. The 6 nm Au capping layer smoothens the trilayer surface, resulting in a surface roughness independent of the Co layer thickness

  18. Stable carbon isotope analysis to distinguish biotic and abiotic degradation of 1,1,1-trichloroethane in groundwater sediments

    DEFF Research Database (Denmark)

    Broholm, Mette Martina; Hunkeler, Daniel; Tuxen, Nina

    2014-01-01

    not appear to be reductive dechlorination via 1,1-DCA. In the biotic microcosms, the degradation of 1,1,1-TCA occurred under iron and sulfate reducing conditions. Biotic reduction of iron and sulfate likely resulted in formation of FeS, which can abiotically degrade 1,1,1-TCA. Hence, abiotic degradation of 1...

  19. Effectiveness of Co intercalation between Graphene and Ir(1 1 1)

    Science.gov (United States)

    Carlomagno, I.; Drnec, J.; Scaparro, A. M.; Cicia, S.; Mobilio, S.; Felici, R.; Meneghini, C.

    2018-04-01

    Graphene can be used to avoid the oxidation of metallic films. This work explores the effectiveness of such stabilizing effect on Cobalt (Co) films intercalated between Graphene and Ir(1 1 1). After intercalation at 300 °C, two Co films are exposed to ambient pressure and investigated using Co-K edge X-ray Absorption Near Edge Spectroscopy. The formation of a disordered oxide phase is observed, and associated to the presence of some non-intercalated Co. Further annealing at 500 °C causes the oxide reduction to metallic Co which further intercalates below the Graphene. Once the intercalation is completed, Graphene prevents the Co from oxidation under ambient pressure conditions.

  20. The surface oxide as a source of oxygen on Rh(1 1 1)

    Energy Technology Data Exchange (ETDEWEB)

    Lundgren, E. [Department of Synchrotron Radiation Research, Institute of Physics, Lund University, Box 118, S-221 00 Lund (Sweden)]. E-mail: edvin.lundgren@sljus.lu.se; Gustafson, J. [Department of Synchrotron Radiation Research, Institute of Physics, Lund University, Box 118, S-221 00 Lund (Sweden); Resta, A. [Department of Synchrotron Radiation Research, Institute of Physics, Lund University, Box 118, S-221 00 Lund (Sweden); Weissenrieder, J. [Department of Synchrotron Radiation Research, Institute of Physics, Lund University, Box 118, S-221 00 Lund (Sweden); Mikkelsen, A. [Department of Synchrotron Radiation Research, Institute of Physics, Lund University, Box 118, S-221 00 Lund (Sweden); Andersen, J.N. [Department of Synchrotron Radiation Research, Institute of Physics, Lund University, Box 118, S-221 00 Lund (Sweden); Koehler, L. [Institut fuer Materialphysik and Centre for Computational Materials Science, Universitaet Wien, A-1090 Vienna (Austria); Kresse, G. [Institut fuer Materialphysik and Centre for Computational Materials Science, Universitaet Wien, A-1090 Vienna (Austria); Klikovits, J. [Institut fuer Allgemeine Physik, Technische Universitaet Wien, A-1040 Vienna (Austria); Biederman, A. [Institut fuer Allgemeine Physik, Technische Universitaet Wien, A-1040 Vienna (Austria); Schmid, M. [Institut fuer Allgemeine Physik, Technische Universitaet Wien, A-1040 Vienna (Austria); Varga, P. [Institut fuer Allgemeine Physik, Technische Universitaet Wien, A-1040 Vienna (Austria)

    2005-06-15

    The reduction of a thin surface oxide on the Rh(1 1 1) surface by CO is studied in situ by photoemission spectroscopy, scanning tunneling microscopy, and density functional theory. CO molecules are found not to adsorb on the surface oxide at a sample temperature of 100 K, in contrast to on the clean and chemisorbed oxygen covered surface. Despite this behavior, the surface oxide may still be reduced by CO, albeit in a significantly different fashion as compared to the reduction of a phase containing only chemisorbed on surface oxygen. The experimental observations combined with theoretical considerations concerning the stability of the surface oxide, result in a model of the reduction process at these pressures suggesting that the surface oxide behaves as a source of oxygen for the CO-oxidation reaction.

  1. Biofiltration of 1,1,1-trichloroethane by a trickle-bed air biofilter.

    Science.gov (United States)

    Lu, Chungsying; Chang, Kwotsair

    2003-09-01

    The performance of a trickle-bed air biofilter (TBAB) in the removal of 1,1,1-trichloroethane (TCLE) was evaluated in concentrations varying from 0.025 to 0.049 g/m3 and at empty-bed residence time (EBRT) varying from 20 to 90 s. Nearly complete TCLE removal could be achieved for influent carbon loading between 0.98 and 5.88 g/m3 h. The TBAB appeared efficient for controlling TCLE emission under low-carbon-loading conditions. Carbon recoveries higher than 95% were achieved, demonstrating the accuracy of results. The carbon mass rate of the liquid effluent was approximately two orders of magnitude less than that of the effluent CO2, indicating that dissolved TCLE and its derivatives in leachate were present in negligible amounts in the TBAB.

  2. Modeling a point-source release of 1,1,1-trichloroethane using EPA's SCREEN model

    International Nuclear Information System (INIS)

    Henriques, W.D.; Dixon, K.R.

    1994-01-01

    Using data from the Environmental Protection Agency's Toxic Release Inventory 1988 (EPA TRI88), pollutant concentration estimates were modeled for a point source air release of 1,1,1-trichloroethane at the Savannah River Plant located in Aiken, South Carolina. Estimates were calculating using the EPA's SCREEN model utilizing typical meteorological conditions to determine maximum impact of the plume under different mixing conditions for locations within 100 meters of the stack. Input data for the SCREEN model were then manipulated to simulate the impact of the release under urban conditions (for the purpose of assessing future landuse considerations) and under flare release options to determine if these parameters lessen or increase the probability of human or wildlife exposure to significant concentrations. The results were then compared to EPA reference concentrations (RfC) in order to assess the size of the buffer around the stack which may potentially have levels that exceed this level of safety

  3. New perspectives for "non-classical" molecules: heavy [1.1.1]propellanes of group 14.

    Science.gov (United States)

    Nied, Dominik; Breher, Frank

    2011-07-01

    Heavy analogues of hydrocarbons intrigue chemists for a number of reasons, not least because they are often fundamentally different from their carbon counterparts and have remained a challenge for both experimentalists and theoreticians for a long time. The appealing properties of [1.1.1]propellanes of group 14 consisting of inverted tetrahedral bridgehead atoms can mainly be attributed to the particular bonding between the latter. More than 20 years after the first member of this family has been published, several contributions to this area have impressively extended the spectrum of these so-called main-group biradicaloids. Still in its infancy, further perspectives for these "non-classical" molecules are now arising. In this tutorial review, early findings and recent developments in this area are presented. Particular attention is drawn on the relationship of unusual structures and unusual reactivities of main-group element compounds in general and in particular of heavy propellane scaffolds of group 14.

  4. Interaction forces and conduction properties between multi wall carbon nanotube tips and Au(1 1 1)

    Energy Technology Data Exchange (ETDEWEB)

    Luna, M.; Pablo, P.J. de; Colchero, J.; Gomez-Herrero, J.; Baro, A.M.; Tokumoto, H.; Jarvis, S.P

    2003-07-15

    We have studied the interaction forces and electrical conduction properties arising between multiwall carbon nanotube tips and the Au(1 1 1) surface in air, by means of amplitude modulation scanning force microscopy, also called intermittent contact. We have centered our work on tips with metallic electronic structure and for the specific parameters used we have found a preliminary interaction range where there is no contact between tip and surface. Stable imaging in this non-contact range is possible with multiwall carbon nanotube tips. These tips have also been used to obtain simultaneous topographic and current maps of the surface. They show excellent properties as tips due to their high aspect ratio and durability, as a result of their elastic and non-reactive properties. Correspondingly, multiwall carbon nanotube tips allow high resolution local analysis of electrical conductivity on a nanometer scale.

  5. Unoccupied electronic structure and relaxation dynamics of Pb/Si(1 1 1)

    International Nuclear Information System (INIS)

    Sandhofer, M.; Sklyadneva, I.Yu.; Sharma, V.; Trontl, V. Mikšić; Zhou, P.; Ligges, M.; Heid, R.; Bohnen, K.-P.; Chulkov, E.V.; Bovensiepen, U.

    2014-01-01

    Highlights: • The electronic structure of unoccupied quantum well states in Pb/Si(1 1 1) is analyzed. • The Si substrate modifies the binding energy and dispersion of the Pb bands. • The direct Pb 6p z orbital overlap with Si orbitals is marginal. • We conclude a 6p x,y mediated interaction of the 6p z states with the Si bulk bands. - Abstract: The unoccupied electronic structure of epitaxial Pb films on Si(1 1 1) is analyzed by angle-resolved two-photon photoemission in the Γ ¯ →M ¯ direction close to the Brillouin zone center. The experimental results are compared to density functional theory calculations and we focus on the nature of the interaction of the 6p z states with the Si substrate. The experimentally obtained dispersion E(k || ) of the unoccupied quantum well states is weaker than expected for freestanding films, in good agreement with their occupied counterparts. Following E(k || ) of quantum well states as a function of momentum at different energies, which are degenerate and non-degenerate with the Si conduction band, we observe no influence of the Si bulk band and conclude a vanishing direct interaction of the Pb 6p z states with the Si band. However, the momentum range at which mixing of 6p z and 6p x,y derived subbands is found to occur in the presence of the Si substrate is closer to Γ ¯ than in the corresponding freestanding film, which indicates a substrate-mediated enhancement of the mixing of these states. Additional femtosecond time-resolved measurements show a constant relaxation time of hot electrons in unoccupied quantum well states as a function of parallel electron momentum which supports our conclusion of a p x,y mediated interaction of the p z states with the Si conduction band

  6. R-134a (1,1,1,2-Tetrafluoroethane) Inhalation Induced Reactive Airways Dysfunction Syndrome.

    Science.gov (United States)

    Doshi, Viral; Kham, Nang; Kulkarni, Shreedhar; Kapitan, Kent; Henkle, Joseph; White, Peter

    2016-01-01

    R-134a (1,1,1,2-tetrafluoroethane) is widely used as a refrigerant and as an aerosol propellant. Inhalation of R-134a can lead to asphyxia, transient confusion, and cardiac arrhythmias. We report a case of reactive airways dysfunction syndrome secondary to R-134a inhalation. A 60-year-old nonsmoking man without a history of lung disease was exposed to an air conditioner refrigerant spill while performing repairs beneath a school bus. Afterward, he experienced worsening shortness of breath with minimal exertion, a productive cough, and wheezing. He was also hypoxic. He was admitted to the hospital for further evaluation. Spirometry showed airflow obstruction with an FEV1 1.97 L (45% predicted). His respiratory status improved with bronchodilators and oral steroids. A repeat spirometry 2 weeks later showed improvement with an FEV1 2.5 L (60% predicted). Six months after the incident, his symptoms had improved, but he was still having shortness of breath on exertion and occasional cough.

  7. Thermochemistry of 1,1,3,3-tetramethylguanidine and 1,1,3,3-tetramethylguanidinium nitrate

    International Nuclear Information System (INIS)

    Vitorino, Joana; Agapito, Filipe; Piedade, M. Fátima M.; Bernardes, Carlos E.S.; Diogo, Hermínio P.; Leal, João P.

    2014-01-01

    Graphical abstract: - Highlights: • The enthalpy of formation of 1,1,3,3-tetramethylguanidinium nitrate was determined by combustion calorimetry. • The cohesive energy of liquid 1,1,3,3-tetramethylguanidinium nitrate was evaluated. • The crystal structure of 1,1,3,3-tetramethylguanidinium nitrate was determined by single crystal X-ray diffraction. • Δ f H m o (l/g) of 1,1,3,3-tetramethylguanidine (tmg) were obtained by solution and Calvet calorimetry. • Δ f H m o (g) calculated by the W1-F12 procedure was in excellent agreement with the corresponding experimental value. - Abstract: Considerable efforts have recently been made to investigate how the structure of protic ionic liquids determines some of their most important properties for technological applications (e.g. low vapour pressure, conductivity). In contrast, the assessment of cohesive energies (which are also linked to those properties) based on thermodynamic results is still practically unexplored. This problem is addressed here for 1,1,3,3-tetramethylguanidinium nitrate, [Htmg][NO 3 ], through a combination of experimental and computational chemistry results at the reference temperature of 298.15 K. The standard molar enthalpies of formation, Δ f H m o ([Htmg][NO 3 ],cr)=-(311.8±2.3)kJ·mol -1 , and fusion, Δ fus H m o ([Htmg][NO 3 ])=16.2±3.8kJ·mol -1 , of solid 1,1,3,3-tetramethylguanidinium nitrate (form I polymorph) were obtained by combustion and differential scanning calorimetry, respectively. From these results Δ f H m o ([Htmg][NO 3 ],l)=-(295.6±4.4)kJ·mol -1 could be derived. Also determined were the standard molar enthalpies of formation, Δ f H m o (tmg, l)=7.7±2.8kJ·mol -1 , and vaporisation, Δ vap H m o (tmg,l)=50.0±1.2kJ·mol -1 , of 1,1,3,3-tetramethylguanidine, by reaction solution and Calvet-drop microcalorimetry, respectively, leading to Δ f H m o (tmg,g)=57.7±3.0kJ·mol -1 . This result is in excellent agreement with Δ f H m o (tmg,g)=58.4±4.0kJ·mol -1

  8. Fatal cardiac arrhythmia after repeated exposure to 1,1-difluoroethane (DFE).

    Science.gov (United States)

    Avella, Joseph; Wilson, James C; Lehrer, Michael

    2006-03-01

    A 42-year-old man was found dead after repeated exposure to 1,1-difluoroethane (DFE, Freon 152a), a propellant found in CRC Duster, a product intended for the removal of dust and lint. Toxicologic analysis detected DFE in femoral blood 136.3 mg/L, brain 117.5 mg/kg, liver 87.6 mg/kg, lung 60.3 mg/kg, adipose 235.7 mg/kg, and vitreous fluid 25.1 mg/L. The cause of death was determined to be a fatal cardiac arrhythmia due to intoxication with 1,1-difluoroethane. After comparison to previously published cases involving DFE, we suggest that analysis of adipose tissue for DFE and similar compounds, along with blood and other tissues, may be useful in distinguishing between acute versus chronic exposure. Adipose may also be a valuable alternate specimen for detection in cases where loss or elimination from blood is likely to have occurred.

  9. Biodegradation of 1,1,1-trichloro-2,2-bis(4-chlorophenyl) ethane (DDT) by using Serratia marcescens NCIM 2919.

    Science.gov (United States)

    Grewal, Jasneet; Bhattacharya, Amrik; Kumar, Sumit; Singh, Dileep K; Khare, Sunil K

    2016-12-01

    A solvent tolerant bacterium Serratia marcescens NCIM 2919 has been evaluated for degradation of DDT (1,1,1-trichloro-2,2-bis (4-chlorophenyl) ethane). The bacterium was able to degrade up to 42% of initial 50 mg L -1 of DDT within 10 days of incubation. The highlight of the work was the elucidation of DDT degradation pathway in S. marcescens. A total of four intermediates metabolites viz. 2,2-bis (chlorophenyl)-1,1-dichloroethane (DDD), 2,2-bis (chlorophenyl)-1,1-dichloroethylene (DDE), 2,2-bis (chlorophenyl)-1-chloroethylene (DDMU), and 4-chlorobenzoic acid (4-CBA) were identified by GC-Mass and FTIR. 4-CBA was found to be the stable product of DDT degradation. Metabolites preceding 4-CBA were not toxic to strain as reveled through luxuriant growth in presence of varying concentrations of exogenous DDD and DDE. However, 4-CBA was observed to inhibit the growth of bacterium. The DDT degrading efficiency of S. marcescens NCIM 2919 hence could be used in combination with 4-CBA utilizing strains either as binary culture or consortia for mineralization of DDT. Application of S. marcescens NCIM 2919 to DDT contaminated soil, showed 74.7% reduction of initial 12.0 mg kg -1 of DDT after 18-days of treatment.

  10. Quasicrystal-reinforced Mg alloys.

    Science.gov (United States)

    Kyun Kim, Young; Tae Kim, Won; Hyang Kim, Do

    2014-04-01

    The formation of the icosahedral phase (I-phase) as a secondary solidification phase in Mg-Zn-Y and Mg-Zn-Al base systems provides useful advantages in designing high performance wrought magnesium alloys. The strengthening in two-phase composites (I-phase + α -Mg) can be explained by dispersion hardening due to the presence of I-phase particles and by the strong bonding property at the I-phase/matrix interface. The presence of an additional secondary solidification phase can further enhance formability and mechanical properties. In Mg-Zn-Y alloys, the co-presence of I and Ca 2 Mg 6 Zn 3 phases by addition of Ca can significantly enhance formability, while in Mg-Zn-Al alloys, the co-presence of the I-phase and Mg 2 Sn phase leads to the enhancement of mechanical properties. Dynamic and static recrystallization are significantly accelerated by addition of Ca in Mg-Zn-Y alloy, resulting in much smaller grain size and more random texture. The high strength of Mg-Zn-Al-Sn alloys is attributed to the presence of finely distributed Mg 2 Sn and I-phase particles embedded in the α -Mg matrix.

  11. Human safety and pharmacokinetics of the CFC alternative propellants HFC 134a (1,1,1,2-tetrafluoroethane) and HFC 227 (1,1,1,2,3,3,3-heptafluoropropane) following whole-body exposure

    NARCIS (Netherlands)

    Emmen, H.H.; Hoogendijk, E.M.G.; Klöpping-Ketelaars, W.A.A.; Muijser, H.; Duistermaat, E.; Ravensberg, J.C.; Alexander, D.J.; Borkhataria, D.; Rusch, G.M.; Schmit, B.

    2000-01-01

    HFC 134a (1,1,1,2-tetrafluoroethane) and HFC 227 (1,1,1,2,3,3,3-heptafluoropropane) are used to replace chlorofluorocarbons (CFCs) in refrigerant and aerosol applications, including medical use in metered-dose inhalers. Production and consumption of CFCs are being phased out under the Montreal

  12. AAS 228: Day 1 morning

    Science.gov (United States)

    Kohler, Susanna

    2016-06-01

    Editors Note:This week were at the 228th AAS Meeting in San Diego, CA. Along with a team ofauthors from astrobites.com, I will bewritingupdates on selectedevents at themeeting and posting twiceeach day. Follow along here or atastrobites.com, or catch ourlive-tweeted updates from the@astrobites Twitter account. The usual posting schedule for AAS Nova will resumenext week.Come visit astrobites at the AAS booth we have swag!Things kicked off last night at our undergraduate reception booth. Thanks to all of you who stopped by we were delightedto hear from undergrads who already know and love the site, educators who want to use it in their classrooms, and students who had not yet been introduced to astrobites and were excited about a new resource!For the rest of the meeting we will be stationed at theAAS booth in the exhibit hall (booth #211-213), so drop by if you want to learn more (or pick up swag: weve got lots of stickers and sunglasses)!Mondaymorning was the official start of the meeting. Here are just a few of the talks and workshops astrobiters attended this morning.Opening Address(by Susanna Kohler)AAS President Meg Urry kicked off the meeting this morning at 8am with an overview of some of the great endeavors AAS is supporting. We astrobiters had personal motivation to drag ourselves out of bed that early: during this session, Urryannounced the new partnership between AAS and astrobites!Urry touched on some difficult topics in her welcome, including yesterdays tragedy in Orlando. Shereiteratedthe AASs support fortheCommittee for Sexual-Orientation and Gender Minorities in Astronomy (SGMA). She also reminded meeting attendees about the importance ofkeeping conference interactions professional, and pointed to the meetings anti-harassment policy.Partnership Announcement (by Michael Zevin)This morning, the American Astronomical Society announced the new partnership that it will have with Astrobites! We are beyond excited to embark on this new partnership with the Society, which was the culmination of several years of supportive interaction. This new relationship is described further in the press release just issued by AAS.First plenary: The Ocean World Enceladus (by Chris Faesi)Enceladus takes its place in the lineup of potential life-bearing solar system bodies.In the first plenary session of the AAS 228th meeting, Christopher Glein of the University of Toronto took the audience on an exciting tour of the ocean world Enceladus. This small, icy moon of Saturn had been thought rather unremarkable for most of the 2+ centuries since its discovery in 1789, but theCassini spacecrafts extended visit over the last decade has revealed it to be a surprisingly dynamic and unique little world. From Cassinis 23 flybys, we now know that Enceladus is composed of roughly equal parts rock and ice, and, with analbedo of 99%, is the most reflective body in the solar system.The moons surface is not entirely cratered, as are most solar system objects such as our own Moon, but has a southern hemisphere with long fissures that look like tiger stripes on an otherwise smooth surface. Follow-up with the satellites highly sensitive instruments revealed that these stripes were heated up to 200 K much hotter than Enceladuss typical 75 K surface temperature. There seems to be an energy shortage: the heating expected from Saturns tidal influence on the moon is a factor of about ten smaller than what would be required to heat the surface this much. Unraveling this discrepancy is still an area of active study today.Learning about the chemistry of Enceladuss plumes. It always amazes me how much we can learn from light! #aas228 pic.twitter.com/yklpClPjRD astrobites (@astrobites) June 13, 2016Enceladus also spews powerful jets of salty water and water ice far into space viacryovolcanism, making it the smallest geologically active body in the solar system. Perhaps most intriguingly, this 500 km-diameter moon may be a promising target in the search for extraterrestrial life. The jets are highly alkaline and may contain molecular hydrogen, which links the inorganic and living worlds as a reactant and energy source. Although Cassinis very fruitful mission will come to a close in 2017 with a death spiral into Saturn, the future is still bright for Enceladus. Glein closed with a preview of the next mission to this special moon: ELF, the Enceladus Life Finder, will fly through and analyze Enceladuss icy plume in unprecedented detail using state-of-the-art instruments and is predicted to fly in 2031. 102: The NASA K2 Mission (by Meredith Rawls)Everyones favorite planet finding telescope continues to impress. In this morning session, we heard highlights about how the repurposed Kepler mission (K2) is contributing to research in areas ranging from nearby brown dwarfs to extragalactic supernovae. The session kicked off with an overview by Knicole Colon, who happily reported extended funding for K2 through 2018, when its fuel is projected to run out. Colon: despite a glitch in the celebratory cake, #K2mission has been extended until the end of life! #aas228 pic.twitter.com/9umZozOy0n Geert Barentsen (@GeertHub) June 13, 2016Bradley Tucker discussed recent extragalactic results from K2, and supernovae in particular. So far, the Kepler Extragalactic Survey has found 17 supernovae and they hope to find at least 20 more in the next three years. Because Kepler observations are so frequent, they reveal previously hidden subtleties in how supernovae fade over time..@btucker22: #K2mission is providing a statistical sample of high-precision supernova lightcurves! #aas228 pic.twitter.com/GWZUJhtmRW Geert Barentsen (@GeertHub) June 13, 2016Of course, exoplanet science is still a primary goal for the K2 team. Matthew Penny updated us on the status of the in-progress microlensing campaign, which uses Kepler to search for one-off brightening events that indicate the presence of a planet due to gravitational microlensing. Work is also underway by Jeffrey Coughlin and colleagues to improve our ability to automatically detect and confirm exoplanet candidates with the traditional transit technique. They have developed a robotic technique called DAVE (Discovery And Vetting of K2 Exoplanets), which does an impressive job of eliminating false positive eclipse signals. To complement K2 observations of exoplanet transits, astrobites alumna Courtney Dressing presented a method which incorporates observations from the infrared Spitzer Space Telescope to better refine planet properties such as radius. @AstroDressing: Spitzer lets us refine Kepler planet radii, orbits, and even masses in prep for the Webb. #aas228 pic.twitter.com/qAUHeUSMYa Meredith Rawls (@merrdiff) June 13, 2016One of the challenges of K2 compared to Kepler is noise introduced by the spacecrafts less precise ability to point. Derek Buzasi implored us to not consider any one pipeline that removes this jitter as necessarily best, but rather to try several and recognize that different science goals will need different approaches to data processing.There isnt one best K2 pipeline! Depends strongly on your science goals. Buzasi begs us not to rank them. #aas228 pic.twitter.com/ykl89WqKNk Meredith Rawls (@merrdiff) June 13, 2016Jeffrey Van Cleve showed examples of what can be accomplished when K2 data is appropriately processed: just like Kepler, K2 can use asteroseismology to see the ringing oscillations of acoustic waves inside evolved stars. More gorgeous asteroseismology coming out of K2! Thanks to K2P2 pipelines handling of calibrated pixels. #aas228 pic.twitter.com/dGY6DcZHlV Meredith Rawls (@merrdiff) June 13, 2016Finally, several speakers including Buzasi presented their work on stellar astrophysics with K2. In addition to stellar activity and asteroseismology, presenters discussed spots and flares on cool brown dwarfs (John Gizis) and using eclipses together with stellar models to measure distances to star clusters (Keivan Stassun). Not a bad roundup for a broken space telescope!103: Galaxies Big and Small (by Ben Cook)This session (one of the first parallel sessions of the conference) included a variety of presentations studying galaxies, primarily using observations but ending with a unique purely analytical study. Stephen McNeil began the session by discussing a survey looking for dwarf galaxies in voids the most empty spaces in the universe. Candidate objects can be looked for using a smart choice of photometric color bands, but more work is ongoing to confirm the locations of (and distances to) the objects with spectroscopy.Aaron Romanowsky gave an overview of the field of Ultra-Diffuse Galaxies, a new class of galaxies only discovered within the last 2 years. Some of these galaxies are as large as the Milky Way and seem to have almost as much dark matter, but they contain 1000x fewer stars.A high-redshift galaxy which is gravitationally lensed by a large cluster is shown to the left. The right image shows how big it would look without the magnification. [Slide by Greg Walsh]Greg Walsh presented a longer dissertation presentation on his work observing dusty star-forming galaxies. One of the best tools for this job is using galaxy clusters as gravitational lenses to help magnify very distant galaxies.Tianxing Jiang showed a variety of observations and simulations that suggest that the level star formation in a galaxy may have to do with the amount of gas pressure, and Aaron Barth showed new measurements of the masses of Super Massive Black Holes using radio measurements. Barth argues that the key to getting good (10%) accuracy is having very high spatial-resolution.Bill Forman discussed how many galaxies have extremely hot, ionized gas surrounding them, and Bruce Rout argued that dark matter may not be necessary to explain the rotation curves of galaxies; a complicated analytical model using general relativity can do the job without any dark matter at all.Press Conference: Exoplanets and Brown Dwarfs (by Susanna Kohler)The first press conference of the meeting featured four speakers discussing some of the latest developments in the field of exoplanet and brown dwarfs.Artists impression of the surface of a massive, planet-like body being devoured by a white dwarf. [A. Hara/C. Melis/W. M. Keck Observatory]First up was Carl Melis (UC San Diego), who discussed the discovery of a rocky exoplanetary body currently being shredded by a white dwarf. As the white dwarfs strong gravitational pull tears the body apart, we can observe the material pulled from its surface layers. These observations made by Keck Observatory and Hubble indicate that the body might have been Earth-like, with an outer surface of made up of limestone. Heres the press release.Next, Avi Shporer (NASA Jet Propulsion Laboratory) spoke about the first transiting brown dwarf found in K2 mission data. Stars like companionship, but the companions are usually other massive stars, or Jupiter-size or smaller planets. Companions with the mass and size of brown dwarfs are uncommon, leading to the term brown dwarf desert. The brown dwarf found by K2 marks the 12th transiting brown dwarf we have discovered.Jerome Orosz (San Diego State University) was up next, presenting the largest and longest-period circumbinary planet yet discovered. This planet is in an orbit with a 3-year period around a two-star binary system (think Tatooine!). This is the longest orbital period of any confirmed transiting exoplanet, and this Jupiter-sized planet, which is in the circumbinarys habitable zone, is the largest circumbinary planet weve observed. Heres the press release.Jerome Orosz on the largest and longest-period circumbinary planet found in Kepler data #aas228 #tatooine pic.twitter.com/2wngVJWEzH astrobites (@astrobites) June 13, 2016Finally, Sean Mills (University of Chicago) spoke about Kepler-108, a giant planet system in which the two exoplanets dont orbit within the same plane. This is detectable because the transits of these planets occur at different times and have different depths in the light curve each time they orbit. Their misalignment may have been caused by a past collision with another planet, which was kicked out of the system in the process. The LIGO-VIRGO Forum on Hunting Gravitational Wave Counterparts(by Gourav Khullar)This parallel session, organized by Peter Shawhan (University of Maryland, advancedLIGO) discussed the first major followup campaign of the GW150914 gravitational wave (GW) discovery event by the physics and astronomy community around the world. It was extremely exciting to hear the speakers talk of the actual process behind the mega-collaborative effort following the first GW event. This paper, published on June 3rd this year, was described by Peter, with a strong emphasis on the timeline following the GW alert in raw LIGO data back in September 2015, along with description of the sky map and raw data given to different facilities and collaborations that LIGO-VIRGO had signed Memorandums of Understanding (MOUs) with for rapid and robust followups. The talk also focussed on resources and tutorials available now to unpack and characterize future alerts data from LIGO-VIRGO. This talk was followed by the description of the all sky survey PAN-STARRS, and its joint efforts with LIGO. It was pointed out that PAN-STARRS had already scanned the sky multiple times, which gave the program an edge in determining transients, i.e. recent features appearing on their new maps but not the old. This extensive survey also allowed better characterization of the transient source, which would be the next step for PAN-STARRS and other similar projects. Our @LIGO booth at #AAS228 is up and running drop by for a chat about #gravitationalwaves pic.twitter.com/akt9wsVPT6 pic.twitter.com/kmPz3oxzJf LIGO (@LIGO) June 13, 2016Following this was a talk by Andy Howell, of the newly formed Las Cumbres Observatory A Global Telescope Network (LCOGT), made up of multiple telescopes across the US, Chile, Spain, South Africa, China and Australia. Howell emphasized that a robotic pointed-search facility could be extremely crucial in automated alert triggering of GW events in the future. Their galaxy and transient catalog is one to look out for.

  13. AAS 228: Day 1 afternoon

    Science.gov (United States)

    Kohler, Susanna

    2016-06-01

    Editors Note:This week were at the 228th AAS Meeting in San Diego, CA. Along with a team ofauthors from astrobites.com, I will bewritingupdates on selectedevents at themeeting and posting twiceeach day. Follow along here or atastrobites.com, or catch ourlive-tweeted updates from the@astrobites Twitter account. The usual posting schedule for AAS Nova will resumenext week.Plenary Session: From Space Archeology to Serving the World Today: A 20-year Journey from the Jungles of Guatemala to a Network of Satellite Remote Sensing Facilities Around the World(by Michael Zevin)In the conferences second plenary session, NASAs Daniel Irwin turned the eyes of the conference back to Earth by highlighting the huge impact that NASA missions play in protecting and developing our own planet.Daniel Irwin: using satellite imagery to detect differences in vegetation and find ancient Mayan cities. #aas228 pic.twitter.com/9LFPQdCHTM astrobites (@astrobites) June 13, 2016Irwin came to be involved in NASA through his work mapping Guatemalan jungles, where he would spend 22 days at a time exploring the treacherous jungles on foot armed with a 1st generation GPS, a compass, and a machete. A colleague introduced Irwin to the satellite imagery thathe was exploring, demonstratinghow these images are a strong complement to field work. The sharing of this satellite data with nearby villages helped to show the encroachment of agriculture and the necessity of connecting space to the village. Satellite imagery also played a role in archeological endeavors, uncovering dozens of Mayan cities that have been buried for over a millennia by vegetation, and it provided evidence that the fall of the Mayan civilization may have been due to massive deforestation that ledto drought.Glacial retreat in Chile imaged by ISERV.Irwin displayed the constellation of NASAs Earth-monitoring satellites that have played an integral role in conserving our planet and alerting the world of natural disasters. He also showed images from the The ISS / SERVIR Environmental Research and Visualization System Completed Operations (ISERV, which Irwin claimed as the instrument acronym that contains the most acronyms). ISERV is a monitoring camera aboard the ISS with 4m resolution of the ground and a 14.5 km by 10 km field of view. This camera is able identify indications of natural disasters to give early-warnings to areas that are potentially threatened, and help analyze disaster aftermath to aid in recoveries. Particularly striking was an image of the retreating glaciers in Chile due to rising global temperatures. 47,000 such images are available to the public at http://earthexplorer.usgs.gov/! The contributions by NASA to the well-being of our planet and civilization are certainly staggering. 110: Galaxy Clusters (by Ben Cook)A short session on clusters of galaxies began with X-ray observations by David Buote studying the distribution of mass in a cluster. By measuring the X-ray temperature (using the spectral information) and the intensity of X-rays, Buote derived the amount of gas in each part of the cluster. By assuming hydrostatic equilibrium, this lets you derive the total mass (not just the gas, but also the stars and dark matter!) of the cluster. But its unclear so far whether that assumption is valid here. Jack Burns followed this up by discussing the ways we can observe the wreckage when galaxy clusters merge together. These mergers, as Burns puts it, are the most energetic events since the Big Bang. When two clusters crash together, their gas is heated to very high temperatures, producing radio emission that is visible as radio relics.Reinout Van Weeren used similar observations in the radio to attempt to measure the magnetic fields in a few clusters. Christine Jones looked at the two primary ways of locating clusters through X-rays and through the SunyaevZeldovich (SZ) effect in the radio and concluded that the two methods are different: one method will easily find clusters the other is less likely to see, and vice versa. Angela Berti detected the signal of galactic conformity all the way to redshift z=1, an effect that makes galaxies more likely to be found around neighbors that are very similar (in terms of color or shape) than different kinds. Georgiana Ogrean closed the session by showing a merger between two galaxies that is not producing a strong shock front. 112: Astronomy Education for All: The 2017 Eclipse, Accessibility and NASA (by Meredith Rawls)This afternoon session kicked off with an advertisement for US-based astronomers favorite upcoming event: the 2017 Solar Eclipse. Jay Pasachoff reviewed plans for the August 21, 2017 event and pointed us to resources about choosing the best viewing site and what to expect on the momentous day. We also heard from Denise Smith, Jim Manning, and Daniel McIntosh about various NASA-funded efforts for education and outreach in the classroom and beyond. A sampling of NASA education and outreach resources compiled over several years, presented by Jim Manning #aas228 pic.twitter.com/T41gdHFoDv Meredith Rawls (@merrdiff) June 13, 2016The other two talks from this session focused on the newly-formed AAS Working Group for Accessibility and Disability and what the astronomical community can do to cultivate a more accessible culture. Speakers Jackie Monkiewicz and Lauren Gilbert described how and why inaccessibility is driving people away from the field: by requiring people with disabilities to disclose those disabilities, by maintaining inaccessible buildings and observatories, by acting inappropriately when accommodations are requested, and by not working well in advance of a course or event to anticipate the needs of people with disabilities. To learn more about what you can do to make astronomy accessible, and what efforts are already underway (including right here at AAS 228), see these resources compiled by AstroBetter.Press Conference: From Molecules to Galaxies (by Leonardo dos Santos)Chris Arumainayagam (Wellesley College) opens up the press conference with a research being carried on exclusively by undergraduate students. He shows that the formation of complex molecules in space is currently explained by high energy cosmic rays and ultra-violet (UV) photons, but then presents their suggestion that low-energy UV photons may also play a significant role in this process. Additionally, if detected, the presence of the molecule Methoxymethanol could help to prove their hypothesis.Philip Hopkins showing results frompress release.Philip Hopkins (Caltech) shows the work on FIRE, a new galaxy evolution simulation that is pushing the limits of the field, and is very successful in resolving some of its biggest issues, such as the abundance of fluffy galaxies, the cold dark matter hypothesis and the missing satellites problem.Gregory Walth (University of California, San Diego) and collaborators discovered an unexpected giant luminous star-forming clump on a galaxy at redshift z = 0.61 which, incidentally, is gravitationally lensed by the galaxy cluster Abell S1063 (z = 0.35). Such clumps are much more common at higher redshifts (z 2), so this discovery raises questions on how common these objects are in the more local universe, and how they were formed.Plenary Session: The Brightest Pulses in the Universe (by MichaelZevin)Fast radio bursts are one of the biggest mysteries in modern astronomy. Attempts to explain their astrophysical origin span from the mergingof relativistic objects to pesky aliens (one of these explanations is more accepted than the other). Maura McLaughlin took the audience on a walk through the history of FRBs and how weve built our current understanding of these perplexing occurrences. The story started with the discovery of radio pulsars by Jocelyn Bell in 1967. Due to the periodicity of the radio beam in these newly-discovered objects, the time-series data of the radio sky was almost always Fourier transformed before analysis and burst events were lost in this transformation. McLaughlin believed that FRBs could have been detected as early as the 1970s if this were not the case! The story then jumped ahead to the 2000s, when astronomers (including McLaughlin) took a look back at archival data from as early as 1967 to search for short duration radio transients in our galaxy. In 2007, a Parkes telescope search for suchobjects in the Small Magellanic Cloud found a very bright radio burst with a strikingly high dispersion measure (which can be correlated to distance) the first FRB candidate!McLaughlin admits that even she had herdoubts about the astrophysical origin of the Lorimor Burst.This became known as the Lorimer Burst, and though some skepticism about its astrophysical origin pervaded over the next few years (primarily becauseto microwave ovensno joke), the discovery of more FRBs using Parkes, Arecibo, and Green Bank Telescopeafter 2013 solidified these events as full-fledged astrophysical phenomena! A very recent study (published in 2016) even found that FRBs can repeat, with no obvious periodicity. Though there are many theories as to what might cause FRBs, it is clear that there is no viable model that we know of to explain all FRBs. McLaughlin did, however, confirm that hungry aliens operating microwaves is energetically unrealistic.

  14. Computational study of cis-oleic acid adsorption on Ni(1 1 1) surface

    Energy Technology Data Exchange (ETDEWEB)

    Simonetti, S., E-mail: ssimonet@uns.edu.ar [Departamento de Fisica, IFISUR, Universidad Nacional del Sur-CONICET, Av. Alem 1253, 8000 Bahia Blanca (Argentina); Departamentos de Ciencias Basicas e Ingenieria Mecanica, Universidad Tecnologica Nacional, Facultad Regional Bahia Blanca, 11 de Abril 461, 8000 Bahia Blanca (Argentina); Ulacco, S. [Departamentos de Ciencias Basicas e Ingenieria Mecanica, Universidad Tecnologica Nacional, Facultad Regional Bahia Blanca, 11 de Abril 461, 8000 Bahia Blanca (Argentina); Brizuela, G.; Juan, A. [Departamento de Fisica, IFISUR, Universidad Nacional del Sur-CONICET, Av. Alem 1253, 8000 Bahia Blanca (Argentina)

    2012-05-15

    In the present work, the Atom Superposition and Electron Delocalization method has been applied in order to study the adsorption of cis-oleic acid on Ni(1 1 1) surface. This molecule presents two active functional groups, C=C (in the middle) and -COOH (at one end). Therefore, it is important to explore adsorption on the metal surface through the C=C bond in a geometry parallel to the surface and also in a vertical one with -COOH pointing at Ni atoms. Our results indicate that the parallel geometry is more stable than the vertical one and C=C bond adsorption dominates the process. Energetic results show a strong interaction with the metallic surface. Ni-Ni, C=C, and C-C bonds are weakened upon adsorption because of a bonding interaction between carbons and nickel surface. We found that Ni 5d{sub z}{sup 2} and 5d{sub yz} orbitals play an important role in the bonding between C p{sub x}, p{sub z} orbitals and surface, and the same happens with Ni 6p{sub x} and Ni 6p{sub z}. A small Ni-H interaction is also detected.

  15. Effects of hyperthermal proton bombardment on alkanethiol self-assembled monolayer on Au(1 1 1)

    Energy Technology Data Exchange (ETDEWEB)

    Xi Luan [Surface Science Western, University of Western Ontario, London, Ontario N6A 5B7 (Canada); Zheng Zhi; Lam, N.-S. [Department of Physics, Chinese University of Hong Kong, Shatin, Hong Kong (China); Grizzi, Oscar [Centro Atomico Bariloche, 8400 San Carlos de Bariloche, Rio Negro (Argentina); Lau, W.-M. [Surface Science Western, University of Western Ontario, London, Ontario N6A 5B7 (Canada)], E-mail: llau22@uwo.ca

    2007-10-31

    The effects of hyperthermal proton bombardment on alkanethiol self-assembled monolayer (SAM) on Au(1 1 1) are studied with scanning tunneling microscopy (STM) and X-ray photoemission spectroscopy (XPS). The STM and XPS results show that proton bombardment with proton energy as low as 2 eV can induce cross-linking of the adsorbed alkanethiols and transform the original ordered SAM lattice to an array of nanoclusters of the cross-linked alkanethiols. For a bombardment at 3 eV with a fluence of 3x10{sup 15} cm{sup -2}, the typical cluster size is about 5 nm. In addition, the cluster size distribution is narrow, with no cluster larger than 8 nm. The cluster growth can be promoted by increasing the fluence at a fixed bombardment energy or increasing the energy at a fixed fluence. This indicates that surface diffusion of alkanethiols and cluster growth can be harnessed by the control of the bombardment energy and fluence.

  16. Effects of hyperthermal proton bombardment on alkanethiol self-assembled monolayer on Au(1 1 1)

    International Nuclear Information System (INIS)

    Xi Luan; Zheng Zhi; Lam, N.-S.; Grizzi, Oscar; Lau, W.-M.

    2007-01-01

    The effects of hyperthermal proton bombardment on alkanethiol self-assembled monolayer (SAM) on Au(1 1 1) are studied with scanning tunneling microscopy (STM) and X-ray photoemission spectroscopy (XPS). The STM and XPS results show that proton bombardment with proton energy as low as 2 eV can induce cross-linking of the adsorbed alkanethiols and transform the original ordered SAM lattice to an array of nanoclusters of the cross-linked alkanethiols. For a bombardment at 3 eV with a fluence of 3x10 15 cm -2 , the typical cluster size is about 5 nm. In addition, the cluster size distribution is narrow, with no cluster larger than 8 nm. The cluster growth can be promoted by increasing the fluence at a fixed bombardment energy or increasing the energy at a fixed fluence. This indicates that surface diffusion of alkanethiols and cluster growth can be harnessed by the control of the bombardment energy and fluence

  17. Synthesis and coordination chemistry of 1,1,1-tris-(pyrid-2-yl)ethane.

    Science.gov (United States)

    Santoro, Amedeo; Sambiagio, Carlo; McGowan, Patrick C; Halcrow, Malcolm A

    2015-01-21

    A new synthesis of 1,1,1-tris(pyrid-2-yl)ethane (L), and a survey of its coordination chemistry, are reported. The complexes [ML2](n+) (M(n+) = Fe(2+), Co(2+), Co(3+), Cu(2+) and Ag(+)), [PdCl2L] and [CuI(L)] have all been crystallographically characterised. Noteworthy results include an unusual square planar silver(i) complex [Ag(L)2]X (X(-) = NO3(-) and SbF6(-)); the oxidative fixation of aerobic CO2 by [CuI(L)] to yield [Cu2I(L)2(μ-CO3)]2[CuI3] and [Cu(CO3)(L)]; and, water/carbonato tape and water/iodo layer hydrogen bonding networks in hydrate crystals of two of the copper(ii) complexes. Cyclic voltammetric data on [Fe(L)2](2+) and [Co(L)2](2+/3+) imply that the peripheral methyl substituent has a weak influence on the ligand field exerted by L onto a coordinated metal ion.

  18. A DFT study of cyclopropane adsorption on Pt(1 1 1). Electronic structure and bonding

    International Nuclear Information System (INIS)

    Germán, E.; López-Corral, I.; Pirillo, S.; Juan, A.; Brizuela, G.

    2014-01-01

    We have studied the adsorption of cyclopropane (c-C 3 H 6 ) on Pt(1 1 1) by means of the density functional theory (DFT). We have investigated the preferential adsorption geometry, considering different adsorption sites and bonding configurations for the molecular adsorbate. We have also computed the electronic structure and bonding interactions by means of density of states (DOS), crystal orbital overlap population (OPDOS), and overlap population (OP) analysis. Our results show a small preference for Bridge and Top adsorption sites with the cyclopropane ring parallel to the surface. Pt-C equilibrium distance is ∼3.5 Å and a weak bond is formed during adsorption. The main bonding interaction comes from the Pt-H overlap population. Pt 5p z orbitals play an important role in the bonding between c-C 3 H 6 and the surface. We have found that Van der Waals (vdW) corrections to the energies improve the adsorption values without changing the preferential site geometries.

  19. Pharmacokinetics for regulatory risk analysis: the case of 1,1,1-trichloroethane (methyl chloroform).

    Science.gov (United States)

    Bogen, K T; Hall, L C

    1989-08-01

    A methodology for using physiologically based pharmacokinetic (PBPK) models to derive predicted safe concentrations of noncarcinogens in drinking water for humans based on experimentally determined no observed adverse effect levels (NOAELs) in animals is presented and applied to the case of 1,1,1-trichloroethane (methyl chloroform, MC). For each toxic endpoint and lowest corresponding NOAEL identified for MC, we considered a set of toxicologically plausible options regarding the presumed toxic agent and the metric for effective dose to target tissue. A four-compartment PBPK model for rodents was used to estimate corresponding effective doses to the animals used to obtain the experimental NOAELs. A five-compartment PBPK model was then applied, in conjunction with a multiroute (inhalation, ingestion and dermal) human-exposure scenario, to calculate alternative concentrations of MC in drinking water predicted to result in corresponding effective doses to the same target tissues in humans. In the case of MC, the PBPK approach to interspecies and interroute extrapolation of toxicity data resulted in lower drinking water concentrations predicted to be nontoxic to humans than corresponding concentrations obtained using a traditional method for determining safe levels.

  20. 11-Hydroxyundecyl octadecyl disulfide self-assembled monolayers on Au(1 1 1)

    Energy Technology Data Exchange (ETDEWEB)

    Albayrak, Erol [Department of Materials and Metallurgical Engineering, Ahi Evran University, Kırşehir 40000 (Turkey); Karabuga, Semistan [Department of Chemistry, Kahramanmaraş Sütçü İmam University, Kahramanmaraş 46030 (Turkey); Bracco, Gianangelo [CNR-IMEM and Department of Physics, University of Genoa, via Dodecaneso 33, Genoa 16146 (Italy); Danışman, M. Fatih, E-mail: danisman@metu.edu.tr [Department of Chemistry, Middle East Technical University, Ankara 06800 (Turkey)

    2014-08-30

    Highlights: • 11-Hydroxyundecyl octadecyl disulfide self-assembled monolayers on Au(1 1 1) surface were grown by supersonic molecular beam deposition. • Two different lying down monolayer phases were observed depending on the substrate temperature. • High temperature monolayer phase has a diffraction pattern similar to that of mercaptoundecanol SAMs. • Desorption from several different chemisorbed and physisorbed states were observed. - Abstract: Here, we report a helium atom diffraction study of 11-hydroxyundecyl octadecyl disulfide (CH{sub 3}-(CH{sub 2}){sub 17}-S-S-(CH{sub 2}){sub 11}-OH, HOD) self-assembled monolayers (SAMs) produced by supersonic molecular beam deposition (SMBD). Two different lying down monolayer phases were observed depending on the substrate temperature. At low temperatures a poorly ordered phase was observed, while the diffraction patterns of the film grown at high temperatures were similar to that of mercaptoundecanol (MUD) SAMs reported previously in the literature. The transition from the low temperature phase to the high temperature phase is due to S-S bond cleavage at the surface. Desorption from several different chemisorbed and physisorbed states were observed with energies in the same range as observed for MUD and octadecanelthiol (ODT) SAMs.

  1. Hydrogen-induced metallization on Ge(1 1 1) c(2 x 8)

    International Nuclear Information System (INIS)

    Razado, I.C.; Zhang, H.M.; Hansson, G.V.; Uhrberg, R.I.G.

    2006-01-01

    We have studied hydrogen adsorption on the Ge(1 1 1) c(2 x 8) surface using scanning tunneling microscopy (STM) and angle-resolved photoelectron spectroscopy (ARPES). We find that atomic hydrogen preferentially adsorbs on rest atom sites. The neighbouring adatoms appear higher in STM images, which clearly indicates a charge transfer from the rest atom states to the adatom states. The surface states near the Fermi-level have been followed by ARPES as function of H exposure. Initially, there is strong emission from the rest atom states but no emission at the Fermi-level which confirms the semiconducting character of the c(2 x 8) surface. With increasing H exposure a structure develops in the close vicinity of the Fermi-level. The energy position clearly indicates a metallic character of the H-adsorbed surface. Since the only change in the STM images is the increased brightness of the adatoms neighbouring a H-terminated rest atom, we identify the emission at the Fermi-level with these adatom states

  2. On Euclidean connections for su(1,1), suq(1,1) and the algebraic approach to scattering

    International Nuclear Information System (INIS)

    Ionescu, R.A.

    1994-11-01

    We obtain a general Euclidean connection for su(1,1) and suq(1,1) algebras. Our Euclidean connection allows an algebraic derivation for the S matrix. These algebraic S matrices reduce to the known ones in suitable circumstances. Also, we obtain a map between su(1,1) and su q (1,1) representations. (author). 8 refs

  3. Concurrent bioremediation of perchlorate and 1,1,1-trichloroethane in an emulsified oil barrier

    Science.gov (United States)

    Borden, Robert C.

    2007-10-01

    A detailed field pilot test was conducted to evaluate the use of edible oil emulsions for enhanced in situ biodegradation of perchlorate and chlorinated solvents in groundwater. Edible oil substrate (EOS®) was injected into a line of ten direct push injection wells over a 2-day period to form a 15-m-long biologically active permeable reactive barrier (bio-barrier). Field monitoring results over a 2.5-year period indicate the oil injection generated strongly reducing conditions in the oil-treated zone with depletion of dissolved oxygen, nitrate, and sulfate, and increases in dissolved iron, manganese and methane. Perchlorate was degraded from 3100 to 20,000 μg/L to below detection (oil and adaptation of the in situ microbial community. Approximately 4 months after emulsion injection, concentrations of 1,1,1-trichloroethane (TCA), perchloroethene (PCE), trichloroethene (TCE) and their degradation products appeared to reach a quasi steady-state condition. During the period from 4 to 18 months, TCA was reduced from 30-70 μM to 0.2-4 μM during passage through the bio-barrier. However, 1-9 μM 1,1-dichloroethane (DCA) and 8-14 μM of chloroethane (CA) remained indicating significant amounts of incompletely degraded TCA were discharging from the oil-treated zone. During this same period, PCE and TCE were reduced with concurrent production of 1,2- cis-dichloroethene ( cis-DCE). However, very little VC or ethene was produced indicating reductive dechlorination slowed or stopped at cis-DCE. The incomplete removal of TCA, PCE and TCE is likely associated with the short (5-20 days) hydraulic retention time of contaminants in the oil-treated zone. The permeability of the injection wells declined by 39-91% (average = 68%) presumably due to biomass growth and/or gas production. However, non-reactive tracer tests and detailed monitoring of the perchlorate plume demonstrated that the permeability loss did not result in excessive flow bypassing around the bio

  4. In situ activation of benzyl alcohols with XtalFluor-E: formation of 1,1-diarylmethanes and 1,1,1-triarylmethanes through Friedel-Crafts benzylation.

    Science.gov (United States)

    Desroches, Justine; Champagne, Pier Alexandre; Benhassine, Yasmine; Paquin, Jean-François

    2015-02-28

    The Friedel-Crafts benzylation of arenes using benzyl alcohols activated in situ with XtalFluor-E is described. A wide range of 1,1-diarylmethanes and 1,1,1-triarylmethanes were prepared under experimentally simple and mild conditions, without the need for a transition metal or a strong Lewis acid. Notably, the reactivity observed demonstrates the potential of XtalFluor-E to induce C-OH bond ionization and SN1 reactivity of benzylic alcohols.

  5. UHV-TEM/TED observation of Ag islands grown on Si( 1 1 1 ) 3× 3-Ag surface

    Science.gov (United States)

    Oshima, Yoshifumi; Nakade, Hiroyuki; Shigeki, Sinya; Hirayama, Hiroyuki; Takayanagi, Kunio

    2001-11-01

    Growths of Ag islands on Si(1 1 1)3×3-Ag surface at room temperature were observed by UHV transmission electron microscopy and diffraction. The Ag islands grown after six monolayer deposition had neither (1 0 0) nor (1 1 0) orientation, but had two complex epitaxial orientations dominantly. One was striped islands which gave rise to a diffraction pattern commensurate with the 3×3 lattice of the Si(1 1 1) surface. The other was the coagulated islands whose diffraction pattern indicated the Ag(1 -3 4) sheet grown parallel to the Si(1 1 1) surface.

  6. Growth and hydrogenation of ultra-thin Mg films on Mo(111)

    DEFF Research Database (Denmark)

    Ostenfeld, Christopher Worsøe; Davies, Jonathan Conrad; Vegge, Tejs

    2005-01-01

    . Hydrogen cannot be adsorbed on magnesium films under UHV conditions. However, when evaporating Mg in a hydrogen background, a hydrogen overlayer is seen to adsorb at the Mg surface, due to the catalytic interaction with the Mo(1 1 1) substrate and subsequent spill-over. We show that two monolayers of Mg......The growth and hydrogenation of ultra-thin magnesium overlayers have been investigated on a Mo(1 1 1) single crystal substrate. For increasing magnesium coverages we observe intermediate stages in the TPD and LEISS profiles, which illustrate the transition from one monolayer to multilayer growth...

  7. Deaths involving 1,1-difluoroethane at the San Diego County Medical Examiner's Office.

    Science.gov (United States)

    Vance, Chris; Swalwell, Christopher; McIntyre, Iain M

    2012-01-01

    Intentional abuse of 1,1-difluoroethane has been reported to cause transient symptoms such as confusion, tremors, pulmonary irritation, loss of consciousness and, rarely, coma. In the last five years, 17 cases from the San Diego County Medical Examiner's Office showed the presence of 1,1-difluoroethane in postmortem tissues, and the gas was cited in the cause of death in 13 of those cases. Detected during routine ethanol screening, 1,1-difluoroethane was evaluated for concentrations in peripheral blood, central blood and vitreous humor by a slightly modified method published by Avella et al. In many cases, death from abuse of 1,1-difluoroethane seemed to occur within minutes of intentional abuse; large concentrations (>100 mg/L) of the gas were still in the blood. It is important that forensic toxicology laboratories have routine screening procedures to detect 1,1-difluoroethane because cases exist in which evidence of use from cans may not be present in proximity to the decedent, or may be undiscovered in the debris of a motor vehicle accident. It is also important to quantify concentrations of 1,1-difluoroethane in both peripheral blood and central blood, whose ratio may be useful in interpreting how recently the use of the 1,1-difluoroethane occurred.

  8. Antibacterial activity and phospholipid recognition of the recombinant defensin J1-1 from Capsicum genus.

    Science.gov (United States)

    Guillén-Chable, Francisco; Arenas-Sosa, Iván; Islas-Flores, Ignacio; Corzo, Gerardo; Martinez-Liu, Cynthia; Estrada, Georgina

    2017-08-01

    The gene of the four disulfide-bridged defensin J1-1 from Capsicum was cloned into the expression vector pQE30 containing a 6His-tag as fusion protein. This construct was transfected into Origami strain of Escherichia coli and expressed after induction with isopropyl thiogalactoside (IPTG). The level of expression was 4 mg/L of culture medium, and the His-tagged recombinant defensin (HisXarJ1-1) was expressed exclusively into inclusion bodies. After solubilization, HisXarJ1-1 was purified by affinity and hydrophobic interaction chromatography. The reverse-phase HPLC profile of the HisXarJ1-1 product obtained from the affinity chromatography step showed single main peptide fraction of molecular masses of 7050.6 Da and after treatment with DTT a single fraction of 7, 042.6 Da corresponding to the reduced peptide was observed. An in vitro folding step of the HisXarJ1-1 generated a distinct profile of oxidized forms of the peptide this oxidized peptide was capable of binding phosphatidic acid in vitro. Possible dimer and oligomer of HisXarJ1-1 were visible in gel electrophoresis and immunodetected with anti-His antibodies. Pure recombinant defensin HisXarJ1-1 exhibited antibacterial activity against Pseudomonas aeruginosa. Copyright © 2017 Elsevier Inc. All rights reserved.

  9. Photochemistry of 1,1,1-Trifluoroacetone on Rutile TiO2(110)

    International Nuclear Information System (INIS)

    Zehr, Robert T.; Deskins, N. Aaron; Henderson, Michael A.

    2010-01-01

    The ultraviolet (UV) photon-induced photodecomposition of 1,1,1-trifluoroacetone (TFA) adsorbed on the rutile TiO2(110) surface has been investigated with photon stimulated desorption (PSD), temperature programmed desorption (TPD) and density functional theory (DFT). TFA adsorbed molecularly on the reduced surface (8% oxygen vacancies) in states desorbing below 300 K with trace thermal decomposition observed in TPD. Adsorption of TFA on a preoxidized TiO2(110) surface (accomplished by pre-exposure with 20 L O2) led to formation of a new TFA desorption state at 350 K, assigned to decomposition of a TFA-diolate species ((CF3)(CH3)COO). No TFA photochemistry was detected on the reduced surface. UV irradiation of TFA on the oxidized surface depleted TFA in the 350 K state, with TFA molecules in other TPD states unaffected. PSD measurements reveal that both carbonyl substituents (CH3 and CF3), as well as CO, were liberated during UV exposure at 95 K. Post-irradiation TPD showed evidence for both acetate (evolving as ketene at 650 K) and trifluoroacetate (evolving as CO2 at 600 K) as surface-bound photodecomposition products. The CO PSD product was not due to adsorbed CO, to mass spectrometer cracking of a CO-containing PSD product, or from background effects, but originated from complete fragmentation of an unidentified adsorbed TFA species. Thermodynamic analysis using DFT indicated that the photodecomposition of the TFA-diolate was likely not driven by thermodynamics alone as both pathways (CH3+trifluoroacetate and CF3+acetate) were detected when thermodynamics shows a clear preference for only one (CF3+acetate). These observations are in contrast to the photochemical behavior of acetone, butanone and acetaldehyde on TiO2(110), where only one of the two carbonyl substituent groups was observed, with a stoichiometric amount of carboxylate containing the other substituent left on the surface. We conclude that fluorination significantly alters the electronic structure of

  10. Anomalous phonon stiffening associated with the (1 1 1) antiphase boundary in L12 Ni3Al

    International Nuclear Information System (INIS)

    Manga, Venkateswara Rao; Shang, Shun-Li; Wang, William Yi; Wang, Yi; Liang, Jiang; Crespi, Vincent H.; Liu, Zi-Kui

    2015-01-01

    Antiphase boundaries (APBs) play a crucial role in the anomalous yield behavior exhibited by Ni 3 Al with L1 2 structure. We investigated the changes in the vibrational properties associated with the formation of (0 0 1) and (1 1 1) APBs in Ni 3 Al by employing first-principles calculations. The phonon density of states of Ni 3 Al with and without (0 0 1) and (1 1 1) APBs revealed an interesting result: the (0 0 1) APB softens the phonons in its vicinity, while the (1 1 1) stiffens them. We also calculated the finite-temperature (0 0 1) and (1 1 1) APB Gibbs free energies from the first-principles quasi-harmonic approximation. The vibrational entropy of formation is positive (e.g. 0.053 mJ K −1 m −2 at 300 K) for the (0 0 1) APB and is negative (e.g. −0.0157 mJ K −1 m −2 at 300 K) for the (1 1 1) APB over the entire temperature range. We also find a significant change in the thermal electronic free energy due to the creation of the (0 0 1) or (1 1 1) APB. The anisotropy ratio of the APB energies, i.e. the ratio of the (1 1 1) APB free energy to the (0 0 1) APB free energy, changes from 2.9 at 300 K to 15.9 at 1000 K

  11. Segregation and stability at Pt3Ni(1 1 1) surfaces and Pt75Ni25 nanoparticles

    International Nuclear Information System (INIS)

    Fowler, Ben; Lucas, Christopher A.; Omer, Ahmed; Wang, Guofeng; Stamenkovic, Vojislav R.; Markovic, Nenad M.

    2008-01-01

    Using in situ surface X-ray diffraction we have determined the atomic structure and stability of a Pt 3 Ni(1 1 1) surface in the electrochemical environment. Surface segregation leads to a pure Pt(1 1 1) skin with enrichment of Ni in the sub-surface atomic layer that determines the surface electronic structure. The Pt-skin surface exhibits inward relaxation upon the adsorption of oxygenated species and this explains the surface stability compared to pure Pt(1 1 1). Using Monte Carlo calculations it is shown that nanoparticles with the same surface composition and stochiometry are energetically stable

  12. 41 CFR 300-1.1 - What is the FTR?

    Science.gov (United States)

    2010-07-01

    ... 41 Public Contracts and Property Management 4 2010-07-01 2010-07-01 false What is the FTR? 300-1.1 Section 300-1.1 Public Contracts and Property Management Federal Travel Regulation System GENERAL INTRODUCTION 1-THE FEDERAL TRAVEL REGULATION (FTR) § 300-1.1 What is the FTR? The FTR is the regulation...

  13. Accurate and stable equal-pressure measurements of water vapor transmission rate reaching the 10-6 g m-2 day-1 range

    Science.gov (United States)

    Nakano, Yoichiro; Yanase, Takashi; Nagahama, Taro; Yoshida, Hajime; Shimada, Toshihiro

    2016-10-01

    The water vapor transmission rate (WVTR) of a gas barrier coating is a critically important parameter for flexible organic device packaging, but its accurate measurement without mechanical stress to ultrathin films has been a significant challenge in instrumental analysis. At the current stage, no reliable results have been reported in the range of 10-6 g m-2 day-1 that is required for organic light emitting diodes (OLEDs). In this article, we describe a solution for this difficult, but important measurement, involving enhanced sensitivity by a cold trap, stabilized temperature system, pumped sealing and calibration by a standard conductance element.

  14. A motor vehicle accident fatality involving the inhalation of 1,1-difluoroethane.

    Science.gov (United States)

    Hahn, Timothy; Avella, Joseph; Lehrer, Michael

    2006-10-01

    A 24-year-old female driver with a history of substance abuse was pronounced dead following a single car motor vehicle accident. A surviving front seat passenger witnessed the decedent inhaling "Dust Off" cleaner just prior to losing control of the vehicle. The propellant compound used in this product is the halogenated hydrocarbon 1,1-difluoroethane (DFE). Sealed autopsy specimens were examined for the presence and subsequent quantitation of DFE utilizing an Agilent 6850 gas chromatograph (GC)-flame-ionization detector. The levels of DFE obtained were as follows: 29.8 mg/L in femoral blood, 40.3 mg/L in pulmonary arterial blood, 85.6 mg/L in aortic blood, 79.9 mg/L in chest cavity blood, 21.2 mg/L in vitreous, 11.7 mg/kg in brain, 27.9 mg/kg in liver, 71.0 mg/L in urine, and 51.8 mg/total gastric contents. The presence of DFE was confirmed in the decedent's urine by injection on an Agilent 6890/5973 GC-mass spectrometer in full scan mode. This case presents a uniquely witnessed observation of the apparent impairing effects and consequences of the acute inhalation of halogenated hydrocarbons such as DFE and the operation of a motor vehicle. The proximity of time of death to inhalant use may also provide insight to postmortem distribution patterns of DFE in relation to normal physiologic blood flow. With further investigations, estimating the time of final use of an inhalant prior to death may be deciphered from such patterns, although a degree of caution should be applied in deaths resulting from severe trauma in which normal tissue structure is compromised because postmortem redistribution may result.

  15. Myasthenia Gravis (MG): Medical Management

    Science.gov (United States)

    ... take effect, prior to surgery or for myasthenic crisis. However, some people receive regular plasmapheresis or IVIg as a supplement to immunosuppressant drugs. Pregnancy In rare cases, pregnancy appears to trigger the onset of MG. ...

  16. A comparative study on GM (1,1) and FRMGM (1,1) model in forecasting FBM KLCI

    Science.gov (United States)

    Ying, Sah Pei; Zakaria, Syerrina; Mutalib, Sharifah Sakinah Syed Abd

    2017-11-01

    FTSE Bursa Malaysia Kuala Lumpur Composite Index (FBM KLCI) is a group of indexes combined in a standardized way and is used to measure the Malaysia overall market across the time. Although composite index can give ideas about stock market to investors, it is hard to predict accurately because it is volatile and it is necessary to identify a best model to forecast FBM KLCI. The objective of this study is to determine the most accurate forecasting model between GM (1,1) model and Fourier Residual Modification GM (1,1) (FRMGM (1,1)) model to forecast FBM KLCI. In this study, the actual daily closing data of FBM KLCI was collected from January 1, 2016 to March 15, 2016. GM (1,1) model and FRMGM (1,1) model were used to build the grey model and to test forecasting power of both models. Mean Absolute Percentage Error (MAPE) was used as a measure to determine the best model. Forecasted value by FRMGM (1,1) model do not differ much than the actual value compare to GM (1,1) model for in-sample and out-sample data. Results from MAPE also show that FRMGM (1,1) model is lower than GM (1,1) model for in-sample and out-sample data. These results shown that FRMGM (1,1) model is better than GM (1,1) model to forecast FBM KLCI.

  17. Adsorption and dissociation of H2O on Al(1 1 1) surface by density functional theory calculation

    International Nuclear Information System (INIS)

    Guo, F.Y.; Long, C.G.; Zhang, J.; Zhang, Z.; Liu, C.H.; Yu, K.

    2015-01-01

    Highlights: • O 2 on Al(1 1 1) surface can spontaneously dissociate, but H 2 O can not. • H 2 O, OH and H on top sites are favorable on Al(1 1 1) surface. • O on the hollow (fcc) site is preferred. • O which plays a key role in the dissociate reaction of H 2 O. - Abstract: Using the first-principles calculations method based on the density functional theory, we systematically study the adsorption behavior of a single molecular H 2 O on a clean and a pre-adsorbed O atom Al(1 1 1) surface, and also its corresponding dissociation reactions. The equilibrium configuration on top, bridge, and hollow (fcc and hcp) site were determined by relaxation of the system relaxation. The adsorptions of H 2 O, OH and H on top sites are favorable on the Al(1 1 1) surface, while that of O on the hollow (fcc) site is preferred. The results show that the hydrogen atom dissociating from H 2 O needs a 248.32 kJ/mol of energy on clean Al(1 1 1) surface, while the dissociating energy decreases to 128.53 kJ/mol with the aid of the O absorption. On the other hand, these phenomena indicate that the dehydrogenated reaction energy barrier of the pre-adsorbed O on metal surface is lower than that of on a clean one, because O can promote the dehydrogenation of H 2 O

  18. Polarity driven morphology of CeO2(1 0 0) islands on Cu(1 1 1)

    International Nuclear Information System (INIS)

    Stetsovych, O.; Beran, J.; Dvořák, F.; Mašek, K.; Mysliveček, J.; Matolín, V.

    2013-01-01

    Thin ceria films supported by metal substrates represent important model systems for reactivity studies in heterogeneous catalysis. Here we report the growth study of the polar CeO 2 (1 0 0) phase as part of a mixed CeO 2 (1 1 1)–CeO 2 (1 0 0) thin film supported by Cu(1 1 1). The two ceria phases grow on different areas of the substrate, what allows a reliable growth characterization of the CeO 2 (1 0 0) islands on Cu(1 1 1). Scanning tunneling microscopy measurements reveal CeO 2 (1 0 0) to grow in the form of highly dispersed three dimensional (3D) islands on a CeO 2 (1 0 0) interfacial layer. The CeO 2 (1 0 0) islands exhibit a 2 × 2 surface reconstruction. The presence of the surface reconstruction together with the highly dispersed growth of CeO 2 (1 0 0) islands corresponds to the requirement for compensation of the surface dipole moment on the CeO 2 (1 0 0). CeO 2 (1 0 0) islands are further characterized by reflection high energy electron diffraction yielding their epitaxial relations with respect to the Cu(1 1 1) substrate. The growth of well characterized CeO 2 (1 0 0) islands supported by Cu(1 1 1) represents a starting point for developing a novel template for structure-related reactivity studies of ceria based model catalysts.

  19. Stabilization of Reactive MgO Surfaces by Ni Doping

    Science.gov (United States)

    Mazheika, Aliaksei; Levchenko, Sergey V.

    Ni-MgO solid solutions are promising materials for catalytic reduction of CO2 and dry reforming of CH4. To explain the catalytic activity, an ab initio study of Ni-substitutional defects in MgO (NiMg) has been performed. At first, the validation of the theory level was done. We compared results of CCSD(T) embedded-cluster calculations of NiMg formation energies and adsorption energies of CO, CO2 and H2 on them to the HSE(α) hybrid DFT functional with the fraction of the exact exchange α varied between 0 and 1. HSE(0.3) was found to be the best compromise in this study. Our periodic HSE(0.3) calculations show that NiMg defects are most stable at corner sites, followed by steps, and are least stable at (001) terraces. Thus, Ni-doping stabilizes stepped MgO surfaces. The dissociative adsorption of H2 on the terrace is found to be endothermic (+ 1 . 1 eV), whereas on (110) surface with NiMg it is highly exothermic (- 1 . 6 eV). Adsorbed CO2 is also significantly stabilized (- 0 . 6 vs. - 2 . 2 eV). These findings explain recent microcalorimetry measurements of H2 and CO2 adsorption at doped Ni-MgO samples. partially supported by UniCat (Deutsche Forschungsgemeinschaft).

  20. Effect of uniaxial strain on adatom diffusion across {l_brace}1 1 1{r_brace}-faceted step

    Energy Technology Data Exchange (ETDEWEB)

    Yang Jianyu, E-mail: wuliyangjianyu@yahoo.com.cn [Department of Maths and Physics, Hunan Institute of Engineering, Donghu Street, Xiangtan 411104 (China); Hu Wangyu, E-mail: Wangyuhu2001@yahoo.com.cn [Department of Applied Physics, Hunan University, Changsha 410082 (China); Tang Jianfeng [Department of Applied Physics, Hunan Agricultural University, Changsha 410128 (China)

    2011-02-01

    Diffusion of Pt adatom across the strained {l_brace}1 1 1{r_brace}-faceted step is studied by embedded atom method along with nudged elastic band method. For adatom on the flat (1 1 1) surface, the anisotropic diffusion behavior is found as the uniaxial strain is imposed. For the strained {l_brace}1 1 1{r_brace}-faceted step, our results show that the maximum energy barrier for adatom crossing step edge remains approximately constant as the strain varied from -1.0% to 1.0%, and there is a rise as the larger uniaxial strain is applied. The calculated energy barrier for adatom diffusion along the step edge increases with increasing tensile strain, and the slope of the straight line is small.

  1. Computational study of the RGD-peptide interactions with perovskite-type BFO-(1 1 1) membranes under aqueous conditions

    Science.gov (United States)

    Li, Hai-long; Bian, Liang; Hou, Wen-ping; Dong, Fa-Qin; Song, Mian-Xin; Zhang, Xiao-yan; Wang, Li-sheng

    2016-07-01

    We elucidated a number of facets regarding arginine-glycine-aspartate (RGD)-bismuth ferrite (BFO)-(1 1 1) membrane interactions and reactivity that have previously remained unexplored on a molecular level. Results demonstrate the intra-molecular interaction facilitates a ;horseshoe; structure of RGD adsorbed onto the BFO-(1 1 1) membrane, through the electrostatic (Asp-cation-Fe) and water-bridge (Osbnd H2O and H2Osbnd NH2) interactions. The effect of structural and electron-transfer interactions is attributed to the cation-valences, indicating that the divalent cations are electron-acceptors and the monovalent cations as electron-donors. Notably, the strongly bound Ca2+ ion exerts a ;gluing; effect on the Asp-side-chain, indicating a tightly packed RGD-BFO configuration. Thus, modulating the biological response of BFO-(1 1 1) membrane will allow us to design more appropriate interfaces for implantable diagnostic and therapeutic perovskite-type micro-devices.

  2. In induced reconstructions of Si(1 1 1) as superlattice matched epitaxial templates for InN growth

    International Nuclear Information System (INIS)

    Kuyyalil, Jithesh; Tangi, Malleswararao; Shivaprasad, S.M.

    2013-01-01

    Graphical abstract: Display Omitted Highlights: ► A novel growth method to form InN at low growth temperatures. ► Use of Si reconstruction as a growth template for group III nitrides. ► Band gap variation of InN – Moss–Burstein shift – non-parabolic conduction band for InN. ► Super lattice matching epitaxy of metal induced reconstructions with III–V unit cell. -- Abstract: Indium induced surface reconstructions of Si(1 1 1)-7 × 7 are used as templates to grow high quality InN. We grow InN on Si(1 1 1)-7 × 7, Si(1 1 1)-4 × 1-In and Si(1 1 1)-1 × 1-In reconstructed surfaces and study the quality of the films formed using complementary characterization tools. InN grown on Si(1 1 1)-1 × 1-In reconstruction shows superior film quality with lowest band-edge emission having a narrow full width at half maximum, intense and narrow 0 0 0 2 X-ray diffraction, low surface roughness and carrier concentration an order lower than other samples. We attribute the high quality of the film formed at 300 °C to the integral matching of InN and super lattice dimensions, we also study the reasons for the band gap variation of InN in the literature. Present study demonstrates the proposed Superlattice Matched Epitaxy can be a general approach to grow good quality InN at much lower growth temperature on compatible In induced reconstructions of the Si surface.

  3. Bioequivalence of a single 400-mg dose of imatinib 100-mg oral tablets and a 400-mg tablet in healthy adult Korean volunteers.

    Science.gov (United States)

    Lee, Hae Won; Seong, Sook Jin; Park, Sung Min; Lee, Joomi; Gwon, Mi-Ri; Kim, Hyun-Ju; Lim, Sung Mook; Lim, Mi-Sun; Kim, Woomi; Yang, Dong Heon; Yoon, Young-Ran

    2015-06-01

    Imatinib mesylate (IM) is a selective tyrosine kinase inhibitor for the treatment of chronic myeloid leukemia and gastrointestinal stromal tumors. A new once-daily 400-mg film-coated tablet of imatinib has been developed by a pharmaceutical company in Korea. The present study was designed to assess and compare the PK parameters, bioavailability, and bioequivalence of the new imatinib 400-mg formulation (test) versus the conventional 100-mg formulation (reference) administered as a single 400-mg dose in healthy adult male volunteers. This randomized, open-label, single-dose, two-way crossover study was conducted in healthy Korean male volunteers. Eligible subjects were randomly assigned in a 1 : 1 ratio to receive 400 mg of the test (one 400-mg tablet) or reference (four 100-mg tablets) formulation, followed by a 2-week washout period and administration of the alternate formulation. Serial blood samples were collected at 0 (predose), 0.5, 1, 1.5, 2, 2.5, 3, 4, 6, 8, 10, 12, 24, 48, and 72 hours after administration. Plasma imatinib concentrations were determined using liquid chromatography coupled with tandem mass spectrometry. The formulations were to be considered bioequivalent if the 90% confidence intervals (CIs) of the adjusted geometric mean ratios for Cmax, AUC(0-t), and AUC(0-∞)ž were within the predetermined range of 0.80 - 1.25. In total, 35 subjects completed the study. No serious adverse event was reported during the study. The 90% CIs of the adjusted geometric mean ratios of the test formulation to the reference formulation for C(max), AUC(0-t) and AUC(0-∞)ž of imatinib were all within the bioequivalence criteria range of 0.8 - 1.25. The test formulation of imatinib met the Korean regulatory requirements for bioequivalence. Both imatinib formulations were well-tolerated in all subjects.

  4. 41 CFR 60-1.1 - Purpose and application.

    Science.gov (United States)

    2010-07-01

    ... obligations under the equal opportunity clause regardless of whether or not his contract contains a “Disputes... 41 Public Contracts and Property Management 1 2010-07-01 2010-07-01 true Purpose and application. 60-1.1 Section 60-1.1 Public Contracts and Property Management Other Provisions Relating to Public...

  5. First-principles study for the enhanced sulfur tolerance of Ni(1 1 1) surface alloyed with Pb

    Science.gov (United States)

    Zhang, Yanxing; Yang, Zongxian

    2018-04-01

    The adsorption of H2S, HS, S, H and the dissociation of H2S on the Ni2Pb/Ni (1 1 1) are systematically studied using the first-principles method based on density functional theory. It is found that H2S dissociation barriers are greatly increased by alloying with Pb atoms in the Ni(1 1 1) surface, while the barrier for H2S formation is greatly reduced. In addition, the adsorption of sulfur atom is weakened a lot. The results indicate that alloying with Pb may be a good way to increase the sulfur tolerance of Ni based anode catalysts of solid oxide fuel cells.

  6. Infinite statistics and the SU(1, 1) phase operator

    International Nuclear Information System (INIS)

    Gerry, Christopher C

    2005-01-01

    A few years ago, Agarwal (1991 Phys. Rev. A 44 8398) showed that the Susskind-Glogower phase operators, expressible in terms of Bose operators, provide a realization of the algebra for particles obeying infinite statistics. In this paper we show that the SU(1, 1) phase operators, constructed in terms of the elements of the su(1, 1) Lie algebra, also provide a realization of the algebra for infinite statistics. There are many realizations of the su(1, 1) algebra in terms of single or multimode bose operators, three of which are discussed along with their corresponding phase states. The Susskind-Glogower phase operator is a special case of the SU(1, 1) phase operator associated with the Holstein-Primakoff realization of su(1, 1). (letter to the editor)

  7. Studies on dechlorination of DDT (1,1,1-trichloro-2,2-bis(4-chlorophenyl)ethane) using magnesium/palladium bimetallic system

    International Nuclear Information System (INIS)

    Gautam, Sumit Kumar; Suresh, Sumathi

    2007-01-01

    The aim of our investigation was to compare the rates of dechlorination of DDT using Mg 0 /Pd 4+ system in two different reaction phases, namely, water-acetone and 0.05% biosurfactant in water. Since palladium is expensive and its toxicity effects are not well known we also examined the reuse efficiency of Pd 0 immobilized on alumina for dechlorinating DDT. Studies on the dechlorination of DDT in water-acetone (1:1, v/v) and 0.05% biosurfactant phases revealed that the reaction followed second order kinetics and rate of reaction is dependent upon both initial concentrations of the target compound and Mg 0 /Pd 4+ . The presence of acid enhanced the rate of reaction by providing protons and preventing passivation of metal that occurs due to deposition of magnesium hydroxide. GC-MS analyses revealed the formation of completely dechlorinated hydrocarbon skeleton of DDT namely, diphenylethane (DPE), as the end product in both reaction phases (water-acetone and 0.05% biosurfactant in water) thereby implying the removal of all five chlorine atoms (three alkyl and two aryl) of DDT. The optimum ratio of water and acetone to facilitate successful dechlorination reaction was found to be 9:1. Results suggested that salt form (K 2 PdCl 6 ) of palladium had higher potential to dechlorinate DDT as compared to pellet (Pd 0 -alumina) form (efficiencies of 95 and 36%, respectively, for 100 ppm initial concentration of DDT). We noted that Pd 0 -alumina pellets could be reused at least four times for successful dechlorination of DDT provided Mg 0 granules are present in sufficient quantity. Technical grade DDT (50 ppm) containing significant amounts of DDD was dechlorinated almost completely by the Mg 0 /Pd 4+ (10 mg/0.2 mg/ml) within 1 h in water-biosurfactant phase. Our studies reveal that Mg/Pd system is a promising option due to its high reactivity and its ability to achieve complete dechlorination of DDT. This bimetallic system may be useful for designing indigenous permeable

  8. Optimization of GM(1,1) power model

    Science.gov (United States)

    Luo, Dang; Sun, Yu-ling; Song, Bo

    2013-10-01

    GM (1,1) power model is the expansion of traditional GM (1,1) model and Grey Verhulst model. Compared with the traditional models, GM (1,1) power model has the following advantage: The power exponent in the model which best matches the actual data values can be found by certain technology. So, GM (1,1) power model can reflect nonlinear features of the data, simulate and forecast with high accuracy. It's very important to determine the best power exponent during the modeling process. In this paper, according to the GM(1,1) power model of albino equation is Bernoulli equation, through variable substitution, turning it into the GM(1,1) model of the linear albino equation form, and then through the grey differential equation properly built, established GM(1,1) power model, and parameters with pattern search method solution. Finally, we illustrate the effectiveness of the new methods with the example of simulating and forecasting the promotion rates from senior secondary schools to higher education in China.

  9. The Au modified Ge(1 1 0) surface

    Science.gov (United States)

    Zhang, L.; Kabanov, N. S.; Bampoulis, P.; Saletsky, A. M.; Zandvliet, H. J. W.; Klavsyuk, A. L.

    2018-05-01

    The pristine Ge(1 1 0) surface is composed of Ge pentagons, which are arranged in relatively large (16 × 2) and c(8 × 10) unit cells. The deposition of sub-monolayer amounts of Au and mild annealing results into de-reconstructed Ge(1 1 0) regions completely free of Ge pentagons and regions composed of nanowires that are aligned along the high symmetry [ 1 1 bar 0 ] direction of the Ge(1 1 0) surface. The de-reconstructed Ge(1 1 0) regions consist of atomic rows that are aligned along the [ 1 1 bar 0 ] direction. A substantial fraction of these substrate rows are straight and resemble the atom rows of the unreconstructed, i.e. bulk terminated, Ge(1 1 0) surface, whereas the other substrate rows have a meandering appearance. These meandering atom rows are comprised of two types of atoms, one type that appears dim, whereas the other type appears bright in filled-state scanning tunneling microscopy images. Using density functional theory calculations, we have tested more than 20 different atomic models for the meandering atom rows. The density functional theory calculations reveal that it is energetically favorable for the deposited Au atoms to exchange position with Ge atoms in the first layer. Based on these findings we conclude that the bright atoms are Ge atoms, whereas the dim atoms are Au atoms.

  10. Alloy formation during the electrochemical growth of a Ag-Cd ultrathin film on Au(1 1 1)

    International Nuclear Information System (INIS)

    Barrio, M.C. del; Garcia, S.G.; Salinas, D.R.

    2009-01-01

    The electrodeposition of a Ag/Cd ultrathin film on a Au(1 1 1) surface and the formation of a surface alloy during this process have been studied using classical electrochemical techniques and in situ Scanning Tunneling Microscopy (STM). The films were obtained from separate electrolytes containing Ag + or Cd 2+ ions and from a multicomponent solution containing both ions. First, the polarization conditions were adjusted in order to form a Ag film by overpotential deposition. Afterwards, a Cd monolayer was formed onto this Au(1 1 1)/Ag modified surface by underpotential deposition. The voltammetric behavior of the Cd UPD and the in situ STM images indicated that the ultrathin Ag films were uniformly deposited and epitaxially oriented with respect to the Au(1 1 1) surface. Long time polarization experiments showed that a significant Ag-Cd surface alloying accompanied the formation of the Cd monolayer on the Au(1 1 1)/Ag modified surface, independent of the Ag film thickness. In the case of an extremely thin Ag layer (1 Ag ML) the STM images and long time polarization experiments revealed a solid state diffusion process of Cd, Ag, and Au atoms which can be responsible for the formation of different Ag-Cd or Au-Ag-Cd alloy phases.

  11. Investigation of the adsorption of amino acids on Pd(1 1 1): A density functional theory study

    International Nuclear Information System (INIS)

    James, Joanna N.; Han, Jeong Woo; Sholl, David S.

    2014-01-01

    Graphical abstract: - Highlights: • Density functional theory calculations have been performed to study the adsorption of glycine, alanine, norvaline, valine, proline, cysteine, and serine on Pd(1 1 1). • The common structural framework for the adsorption of most amino acids onto Pd(1 1 1) is in a tridentate fashion via a nitrogen atom and two oxygen atoms. • The shifts in vibrational frequencies associated with NHH and COO support the adsorption patterns of amino acids we examined. • The adsorption strength of amino acids depends on how much the molecules deform during the adsorption process. - Abstract: Density functional theory calculations have been used to study the adsorption of glycine, alanine, norvaline, valine, proline, cysteine, and serine on Pd(1 1 1). Most amino acids except cysteine adsorb onto the surface in a tridentate fashion through a nitrogen atom and both oxygen atoms. For cysteine, an additional bond is formed with the surface due to the strong affinity of the sulfur atom, resulting in a significantly larger adsorption energy. The adsorption patterns of amino acids we examined are supported by the shifts in vibrational frequencies associated with NHH and COO. The adsorption strength of amino acids depends on how much the molecules deform during the adsorption process. Understanding the adsorption of amino acids on Pd(1 1 1) provides fundamental information for future consideration of the interactions between their derivatives or more complicated biomolecules and metal surfaces

  12. Dimensionality effects on magnetic properties of FexCo1-x nanoclusters on Pt(1 1 1)

    Science.gov (United States)

    Miranda, I. P.; Igarashi, R. N.; Klautau, A. B.; Petrilli, H. M.

    2017-11-01

    The behavior of local magnetic moments and exchange coupling parameters of FexCo1-x nanostructures (nanowires and compact clusters) on the fcc Pt(1 1 1) surface is here investigated using the first-principles real-space RS-LMTO-ASA method, in the framework of the DFT. Different configurations of FexCo1-x trimers and heptamers on Pt(1 1 1) are considered, varying the positions and the concentration of Fe or Co atoms. We discuss the influence of dimensionality and stoichiometry changes on the magnetic properties, specially on the orbital moments, which are very important in establishing a nanoscopic understanding of delocalized electron systems. We demonstrate the existence of a strictly decreasing nonlinear trend of the average orbital moments with the Fe concentration for the compact clusters, different from what was found for FexCo1-x nanowires on Pt(1 1 1) and also for corresponding higher-dimensional systems (FexCo1-x monolayer on Pt(1 1 1) and FexCo1-x bulk). The average spin moments, however, are invariably described by a linear function with respect to stoichiometry. In all studied cases, the nearest neighbors exchange couplings have shown to be strongly ferromagnetic.

  13. 40 CFR 721.8145 - Propane,1,1,1,2,2,3,3-heptafluoro-3-methoxy-.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Propane,1,1,1,2,2,3,3-heptafluoro-3-methoxy-. 721.8145 Section 721.8145 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED... significant new uses are: (i) Industrial, commercial, and consumer activities. Requirements as specified § 721...

  14. Polarity driven morphology of CeO{sub 2}(1 0 0) islands on Cu(1 1 1)

    Energy Technology Data Exchange (ETDEWEB)

    Stetsovych, O., E-mail: stetsovycholeksandr@gmail.com; Beran, J.; Dvořák, F.; Mašek, K.; Mysliveček, J., E-mail: Josef.Myslivecek@mff.cuni.cz; Matolín, V.

    2013-11-15

    Thin ceria films supported by metal substrates represent important model systems for reactivity studies in heterogeneous catalysis. Here we report the growth study of the polar CeO{sub 2}(1 0 0) phase as part of a mixed CeO{sub 2}(1 1 1)–CeO{sub 2}(1 0 0) thin film supported by Cu(1 1 1). The two ceria phases grow on different areas of the substrate, what allows a reliable growth characterization of the CeO{sub 2}(1 0 0) islands on Cu(1 1 1). Scanning tunneling microscopy measurements reveal CeO{sub 2}(1 0 0) to grow in the form of highly dispersed three dimensional (3D) islands on a CeO{sub 2}(1 0 0) interfacial layer. The CeO{sub 2}(1 0 0) islands exhibit a 2 × 2 surface reconstruction. The presence of the surface reconstruction together with the highly dispersed growth of CeO{sub 2}(1 0 0) islands corresponds to the requirement for compensation of the surface dipole moment on the CeO{sub 2}(1 0 0). CeO{sub 2}(1 0 0) islands are further characterized by reflection high energy electron diffraction yielding their epitaxial relations with respect to the Cu(1 1 1) substrate. The growth of well characterized CeO{sub 2}(1 0 0) islands supported by Cu(1 1 1) represents a starting point for developing a novel template for structure-related reactivity studies of ceria based model catalysts.

  15. ejesm.v10i1.1

    African Journals Online (AJOL)

    USER

    2017-01-16

    Jan 16, 2017 ... Ethiopian Journal of Environmental Studies & Management 10(1): 1 – 10, 2017. ... 1 million, some identified modern sources had also made little impact ..... bottlenecks and logistics. .... Table 1: Trends in Nigerian Stock Market.

  16. Confinement in (1+1) dimensions and fermions

    International Nuclear Information System (INIS)

    Boya, L.J.; Gomez, C.

    1979-01-01

    The sign ambiguity in fermions in (1+1) dimensions leads to half-integer gauge transformations and to non-zero vacuum expectation values of the physical fermi field which strongly suggest confinement. (Auth.)

  17. Shift of semimetal-semiconductor bond direction on “0 1 1” to “1 1 1” Bismuth quazi-two-dimension system

    Science.gov (United States)

    Yazdani, Ahmad; Hamreh, Sajad

    2018-03-01

    The electronic structure of the nanocrystallines and quasi-two-dimensional systems strongly impressed by the thermodynamic- behavior mainly due to excess of hidden surface free energy. Therefore, the stability of crystalline structure’s change could be related to band-offset of bond rupturing of atomic displacements. whereas for the electronic-structure of "Bi" it seams the competition of L.S and bond exchange should be effectively dominated. Besides all of the characters behave spatial like strong sensitive oxidation here it is supposed that strong correlated electronic structure in the absence of oxygen is resulted on direction of redistribution of surface chemical bond formation before any reconstructive structure. Where • The metallic direction of electronic structure “0 1 1” is changed to “1 1 1” semiconductor direction. • the effect of L.S is more evident on the local density of state while it is not observable around the fermi level. • Strong effect of spin-orbit interaction on splitting of the valance to nearly conduction band around the fermi level is more evident.

  18. Thermochemistry of 1,1'-di-n-butyluranocene

    International Nuclear Information System (INIS)

    Kuznetsov, N.T.; Mitin, V.A.; Kir'yanov, K.V.; Sevast'yanov, V.G.; Bogdanov, V.A.

    1987-01-01

    Combustion enthalpy, temperature dependence of saturated vapor of uranium 1,1'-di-n-butylcyclooctatetraene (1,1'-di-n-butyluranocene) are determined for the first time and its thermal behaviour is studied using DTA and high temperature spectrophotometry. Melting and thermal decomposition beginning temperatures; melting and vaporization enthalpies; standard formation enthalpies in a condensed and gaseous states; mean dissociation energy of uranium bond to n-butylcyclooctatetraene are calculated according to the data obtained

  19. Universal graphs at $\\aleph_{\\omega_1+1}$

    OpenAIRE

    Davis, Jacob

    2016-01-01

    Starting from a supercompact cardinal we build a model in which $2^{\\aleph_{\\omega_1}}=2^{\\aleph_{\\omega_1+1}}=\\aleph_{\\omega_1+3}$ but there is a jointly universal family of size $\\aleph_{\\omega_1+2}$ of graphs on $\\aleph_{\\omega_1+1}$. The same technique will work for any uncountable cardinal in place of $\\omega_1$.

  20. Gas chromatographic determination of 1,1-dimethylhydrazine in water samples by solid-phase microextraction with derivatization

    Directory of Open Access Journals (Sweden)

    Madi Abilev

    2014-10-01

    Full Text Available 1,1-Dimethylhydrazine (1,1-DMH used as a rocket fuel component is highly reactive and unstable compound. It greatly complicates its accurate and express determination in environmental samples. Goal of this work was to develop a method for its express determination in water samples based on solid-phase microextraction with preliminary derivatization. Acetone was selected as reagent for derivatization because during its reaction with 1,1-DMH, volatile and hydrophobic acetone dimethylhydrazone (ADMH was formed. It was established that fiber based on 100-micron polydimethylsiloxane provides the most efficient extraction of ADMH from water at extraction time 2 min. Optimal concentration of acetone was 30 mg/mL. The minimum time for reaction of 1,1-DMH with acetone is 10 minutes. Addition of acids and alkali reduced ADMH response that may be caused by degradation of 1,1-DMH and reduction of derivatization rate. Addition of salt allowed to increase the response of ADMH however made impossible the quantitative determination of 1,1-DMH. Dependence of ADMH response on the concentration of 1,1-DMH at optimized parameters is linear in the concentrations range of 0.1-100 mg/L and can be used for quantitative determination of 1,1-DMH in water. Detection limit of the developed method is 0.02 mg/L. Reproducibility index of the method in the whole range of concentrations did not exceed 7%, accuracy index - 15%. Developed method is simple, inexpensive, accurate, automated and can be recommended for implementation in laboratories conducting environmental monitoring in areas of rocket-carriers fall.

  1. Corrosion and Discharge Behaviors of Mg-Al-Zn and Mg-Al-Zn-In Alloys as Anode Materials

    Directory of Open Access Journals (Sweden)

    Jiarun Li

    2016-03-01

    Full Text Available The Mg-6%Al-3%Zn and Mg-6%Al-3%Zn-(1%, 1.5%, 2%In alloys were prepared by melting and casting. Their microstructures were investigated via metallographic and energy-dispersive X-ray spectroscopy (EDS analysis. Moreover, hydrogen evolution and electrochemical tests were carried out in 3.5 wt% NaCl solution aiming at identifying their corrosion mechanisms and discharge behaviors. The results suggested that indium exerts an improvement on both the corrosion rate and the discharge activity of Mg-Al-Zn alloy via the effects of grain refining, β-Mg17Al12 precipitation, dissolving-reprecipitation, and self-peeling. The Mg-6%Al-3%Zn-1.5%In alloy with the highest corrosion rate at free corrosion potential did not perform desirable discharge activity indicating that the barrier effect caused by the β-Mg17Al12 phase would have been enhanced under the conditions of anodic polarization. The Mg-6%Al-3%Zn-1.0%In alloy with a relative low corrosion rate and a high discharge activity is a promising anode material for both cathodic protection and chemical power source applications.

  2. Characterization of (1 1 1) surface tailored Pt nanoparticles by electrochemistry and X-ray powder diffraction

    International Nuclear Information System (INIS)

    Beyerlein, K.R.; Solla-Gullon, J.; Herrero, E.; Garnier, E.; Pailloux, F.; Leoni, M.; Scardi, P.; Snyder, R.L.; Aldaz, A.; Feliu, J.M.

    2010-01-01

    Platinum nanoparticles with a mean size of 8.7 nm were synthesized by a salt reduction reaction having polyhedron shapes with preferential (1 1 1) surfaces. In situ electrochemical characterization of nanoparticles was performed which confirmed the existence of mostly (1 1 1) surface sites in the sample. The effect of this surface in the electrooxidation of CO was measured. Debye Function Analysis (DFA) and Whole Powder Pattern Modelling (WPPM) of the measured X-ray diffraction pattern were carried out to obtain statistical information on the particle size and shape present in the sample. Both analyses determined that the octahedron particle shape was the most abundant which was also consistent with TEM observations. The existence of a small percentage of single twinned particles was determined by DFA, WPPM, as well as analysis of HRTEM images.

  3. Time-resolved SFG study of formate on a Ni( 1 1 1 ) surface under irradiation of picosecond laser pulses

    Science.gov (United States)

    Noguchi, H.; Okada, T.; Onda, K.; Kano, S. S.; Wada, A.; Domen, K.

    2003-03-01

    Time-resolved sum-frequency generation spectroscopy was carried out on a deuterated formate (DCOO) adsorbed on Ni(1 1 1) surface to investigate the surface reaction dynamics under instantaneous surface temperature jump induced by the irradiation by picosecond laser pulses. The irradiation of pump pulse (800 nm) caused the rapid intensity decrease of both CD and OCO stretching modes of bridged formate on Ni(1 1 1). Different temporal behaviors of intensity recovery between these two vibrational modes were observed, i.e., CD stretching mode recovered faster than OCO. This is the first result to show that the dynamics of adsorbates on metals strongly depends on the observed vibrational mode. From the results of temperature and pump fluence dependence, we concluded that the observed intensity change was not due to the decomposition or desorption, but was induced by a non-thermal process.

  4. Study of sulfur adlayers on Au(1 1 1) from basic hydrolysis of piperazine bis(dithiocarbamate) sodium salt

    International Nuclear Information System (INIS)

    Martínez, Javier A.; Valenzuela, José; Hernandez-Tamargo, Carlos E.; Cao-Milán, Roberto; Herrera, José A.; Díaz, Jesús A.; Farías, Mario H.; Mikosch, Hans

    2015-01-01

    Highlights: • S adlayer formation from descomposition of piperazine bis(dithiocarbamate) sodium salt under alkaline conditions. • Quasi-rectangular octomers (eight sulfur atoms) coexist with another phase. • A DFT surface model of four S-dimers arranged as octomers reproduced real STM images. - Abstract: Sulfur adlayers on Au(1 1 1) were obtained after the interaction of a gold substrate with an alkaline solution of piperazine bis(dithiocarbamate) sodium salt. Characterization of the sulfur modified gold surface was performed by means of X-Ray Photoelectron Spectroscopy (XPS), Scanning Tunneling Microscopy (STM) and Density Functional Theory (DFT) calculations. XPS signals indicated the presence of S–Au bonds, monomeric and polymeric sulfur, and absence of nitrogen and sodium. Images from STM showed the formation of quasi-rectangular octomers in coexistence with another phase. A DFT model using the arrangement of sulfur dimers on the Au(1 1 1) surface effectively reproduced the experimental STM images

  5. Study of sulfur adlayers on Au(1 1 1) from basic hydrolysis of piperazine bis(dithiocarbamate) sodium salt

    Energy Technology Data Exchange (ETDEWEB)

    Martínez, Javier A. [Instituto de Ciencia y Tecnología de Materiales (IMRE), Universidad de La Habana, Zapata y G, El Vedado, Plaza de la Revolución, La Habana 10400 (Cuba); Valenzuela, José [Centro de Nanociencias y Nanotecnología (CNyN), Universidad Nacional Autónoma de México (UNAM), km 107 Carretera Tijuana-Ensenada, Ensenada, BC 22860 (Mexico); Hernandez-Tamargo, Carlos E. [Laboratorio de Química Computacional y Teórica (LQCT), Facultad de Química, Universidad de La Habana, Zapata y G, El Vedado, Plaza de la Revolución, La Habana 10400 (Cuba); Cao-Milán, Roberto [Laboratorio de Bioinorgánica (LBI), Facultad de Química, Universidad de La Habana, Zapata y G, El Vedado, Plaza de la Revolución, La Habana 10400 (Cuba); Herrera, José A. [Instituto de Ciencia y Tecnología de Materiales (IMRE), Universidad de La Habana, Zapata y G, El Vedado, Plaza de la Revolución, La Habana 10400 (Cuba); Díaz, Jesús A.; Farías, Mario H. [Centro de Nanociencias y Nanotecnología (CNyN), Universidad Nacional Autónoma de México (UNAM), km 107 Carretera Tijuana-Ensenada, Ensenada, BC 22860 (Mexico); Mikosch, Hans [Institute of Chemical Technologies and Analytics, Vienna University of Technology, Getreidemarkt 9/E164-EC, 1060 Vienna (Austria); and others

    2015-08-01

    Highlights: • S adlayer formation from descomposition of piperazine bis(dithiocarbamate) sodium salt under alkaline conditions. • Quasi-rectangular octomers (eight sulfur atoms) coexist with another phase. • A DFT surface model of four S-dimers arranged as octomers reproduced real STM images. - Abstract: Sulfur adlayers on Au(1 1 1) were obtained after the interaction of a gold substrate with an alkaline solution of piperazine bis(dithiocarbamate) sodium salt. Characterization of the sulfur modified gold surface was performed by means of X-Ray Photoelectron Spectroscopy (XPS), Scanning Tunneling Microscopy (STM) and Density Functional Theory (DFT) calculations. XPS signals indicated the presence of S–Au bonds, monomeric and polymeric sulfur, and absence of nitrogen and sodium. Images from STM showed the formation of quasi-rectangular octomers in coexistence with another phase. A DFT model using the arrangement of sulfur dimers on the Au(1 1 1) surface effectively reproduced the experimental STM images.

  6. In situ observation of low temperature growth of Ge on Si(1 1 1) by reflection high energy electron diffraction

    International Nuclear Information System (INIS)

    Grimm, Andreas; Fissel, Andreas; Bugiel, Eberhard; Wietler, Tobias F.

    2016-01-01

    Highlights: • Investigation of the initial stages of epitaxial growth of Ge on Si(1 1 1) in situ by RHEED. • Impact of growth temperature on strain evolution for temperatures between 200 °C and 400 °C. • Epitaxy with a high degree of structural perfection already at growth temperature of 200 °C. • Ordered interfacial dislocation networks already at 200 °C. • Tensile strain contribution of Si(1 1 1) 7 × 7-surface reconstruction to strain relaxation process for epitaxial growth of Ge. - Abstract: In this paper we investigate the initial stages of epitaxial growth of Ge on Si(1 1 1) and the impact of growth temperature on strain evolution in situ by reflection high energy electron diffraction (RHEED) for temperatures between 200 °C and 400 °C. The change in surface morphology from a flat wetting layer to subsequent islanding that is characteristic for Stranski–Krastanov growth is monitored by spot intensity analysis. The corresponding critical layer thickness is determined to 3.1 < d c < 3.4 ML. In situ monitoring of the strain relaxation process reveals a contribution of the Si(1 1 1) 7 × 7-surface reconstruction to the strain relaxation process. High resolution transmission electron microscopy confirms that the Ge islands exhibit a high degree of structural perfection and an ordered interfacial misfit dislocation network already at a growth temperature of 200 °C is established. The temperature dependency of island shape, density and height is characterized by atomic force microscopy and compared to the RHEED investigations.

  7. The adsorption of acrolein on a Pt (1 1 1): A study of chemical bonding and electronic structure

    International Nuclear Information System (INIS)

    Pirillo, S.; López-Corral, I.; Germán, E.; Juan, A.

    2012-01-01

    Highlights: ► Study of acrolein/Pt (1 1 1) adsorption using ab-initio and semiempirical methods. ► Geometry optimization and DOS curves were carried out using VASP code. ► Study of chemical bonding evolution using COOP and OP analysis. ► After adsorption Pt-Pt, C=O and C=C bonds are weakened. ► η 3 -cis and η 4 -trans most stable adsorption modes, η 1 -trans less favored one. - Abstract: The adsorption of acrolein on a Pt (1 1 1) surface was studied using ab-initio and semiempirical calculations. Geometry optimization and densities of states (DOS) curves were carried out using the Vienna Ab-initio Simulation Package (VASP) code. We started our study with the preferential geometries corresponding to the different acrolein/Pt (1 1 1) adsorption modes previously reported. Then, we examined the evolution of the chemical bonding in these geometries, using the crystal orbital overlap population (COOP) and overlap population (OP) analysis of selected pairs of atoms. We analyzed the acrolein intramolecular bonds, Pt (1 1 1) superficial bonds and new molecule-surface formed bonds after adsorption. We found that Pt-Pt bonds interacting with the molecule and acrolein C=O and C=C bonds are weakened after adsorption; this last bond is significantly linked to the surface. The obtained C-Pt and O-Pt OP values suggest that the most stable adsorption modes are η 3 -cis and η 4 -trans, while the η 1 -trans is the less favored configuration. We also found that C p z orbital and Pt p z and d z 2 orbitals participate strongly in the adsorption process.

  8. SFG spectroscopy from 10 -8 to 1000 mbar: less-ordered CO structures and coadsorption on Pd (1 1 1)

    Science.gov (United States)

    Morkel, Matthias; Unterhalt, Holger; Salmeron, Miquel; Rupprechter, Günther; Freund, Hans-Joachim

    2003-06-01

    Vibrational sum frequency generation spectroscopy was employed to study "less-ordered" phases resulting from low-temperature CO exposure on Pd(1 1 1). Such imperfect structures may also occur under catalytic reaction conditions up to 1000 mbar and originate from the superposition of ordered structures when the CO mobility and flux were insufficient. The effect of coadsorbed hydrogen and water was also examined.

  9. The adsorption of acrolein on a Pt (1 1 1): A study of chemical bonding and electronic structure

    Science.gov (United States)

    Pirillo, S.; López-Corral, I.; Germán, E.; Juan, A.

    2012-12-01

    The adsorption of acrolein on a Pt (1 1 1) surface was studied using ab-initio and semiempirical calculations. Geometry optimization and densities of states (DOS) curves were carried out using the Vienna Ab-initio Simulation Package (VASP) code. We started our study with the preferential geometries corresponding to the different acrolein/Pt (1 1 1) adsorption modes previously reported. Then, we examined the evolution of the chemical bonding in these geometries, using the crystal orbital overlap population (COOP) and overlap population (OP) analysis of selected pairs of atoms. We analyzed the acrolein intramolecular bonds, Pt (1 1 1) superficial bonds and new moleculesbnd surface formed bonds after adsorption. We found that Ptsbnd Pt bonds interacting with the molecule and acrolein Cdbnd O and Cdbnd C bonds are weakened after adsorption; this last bond is significantly linked to the surface. The obtained Csbnd Pt and Osbnd Pt OP values suggest that the most stable adsorption modes are η3-cis and η4-trans, while the η1-trans is the less favored configuration. We also found that C pz orbital and Pt pz and d orbitals participate strongly in the adsorption process.

  10. GaN epilayers on nanopatterned GaN/Si(1 1 1) templates: Structural and optical characterization

    International Nuclear Information System (INIS)

    Wang, L.S.; Tripathy, S.; Wang, B.Z.; Chua, S.J.

    2006-01-01

    Template-based nanoscale epitaxy has been explored to realize high-quality GaN on Si(1 1 1) substrates. We have employed polystyrene-based nanosphere lithography to form the nano-hole array patterns on GaN/Si(1 1 1) template and then, subsequent regrowth of GaN is carried out by metalorganic chemical vapor deposition (MOCVD). During the initial growth stage of GaN on such nanopatterned substrates, we have observed formation of nanoislands with hexagonal pyramid shape due to selective area epitaxy. With further epitaxial regrowth, these nanoislands coalesce and form continuous GaN film. The overgrown GaN on patterned and non-patterned regions is characterized by high-resolution X-ray diffraction (HRXRD) and high-spatial resolution optical spectroscopic methods. Micro-photoluminescence (PL), micro-Raman scattering and scanning electron microscopy (SEM) have been used to assess the microstructural and optical properties of GaN. Combined PL and Raman data analyses show improved optical quality when compared to GaN simultaneously grown on non-patterned bulk Si(1 1 1). Such thicker GaN templates would be useful to achieve III-nitride-based opto- and electronic devices integrated on Si substrates

  11. Inter-molecule interaction for magnetic property of vanadyl tetrakis(thiadiazole) porphyrazine film on Au(1 1 1)

    Science.gov (United States)

    Hou, Jie; Wang, Yu; Eguchi, Keitaro; Nanjo, Chihiro; Takaoka, Tsuyoshi; Sainoo, Yasuyuki; Awaga, Kunio; Komeda, Tadahiro

    2018-05-01

    We report scanning tunneling microscope (STM) observation of vanadyl tetrakis(thiadiazole) porphyrazine (VOTTDPz) molecules, which is a family molecule of phthalocyanine (Pc) but without Csbnd H termination in the perimeter, deposited on Au(1 1 1) surface. Well-ordered film corresponding to 4 × 4 superstructure with respect to Au(1 1 1) surface is formed, in which the centers of the molecules are separated by 1.12 nm, which is much smaller than that observed for a VOPc molecule on Au(1 1 1), due to the absence of Csbnd H termination. At the same time, the azimuthal angles of neighboring molecules rotate with each other by 30°. A contrast variation of bright and dark molecules is observed, which are interpreted as O-up and O-down molecules, respectively, based on the density functional theory simulation. Spin-polarized local density of states calculation shows spin-polarized V 3d state, which is delocalized over the ring. Spin detection is executed by measuring Kondo resonance in the tunneling spectroscopy near the Fermi level, which is caused by the interaction of an isolated spin and conduction electron of the substrate. We detected asymmetric and weak Kondo peak for out-of-plane outer magnetic field of 0 T, which becomes strong and symmetric peak at 5 T, which is understood by the shift of the spin center of the Kondo resonance from V 3d to delocalized π state in ring with the magnetic field.

  12. The WZNW model on PSU(1, 1 vertical stroke 2)

    International Nuclear Information System (INIS)

    Goetz, G.

    2006-10-01

    According to the work of Berkovits, Vafa and Witten, the non-linear sigma model on the supergroup PSU(1,1 vertical stroke 2) is the essential building block for string theory on AdS 3 xS 3 xT 4 . Models associated with a non-vanishing value of the RR flux can be obtained through a psu(1,1 vertical stroke 2) invariant marginal deformation of the WZNW model on PSU(1,1 vertical stroke 2). We take this as a motivation to present a manifestly psu(1,1 vertical stroke 2) covariant construction of the model at the Wess-Zumino point, corresponding to a purely NSNS background 3-form flux. At this point the model possesses an enhanced psu(1,1 vertical stroke 2) current algebra symmetry whose representation theory, including explicit character formulas, is developed systematically in the first part of the paper. The space of vertex operators and a free fermion representation for their correlation functions is our main subject in the second part. Contrary to a widespread claim, bosonic and fermionic fields are necessarily coupled to each other. The interaction changes the supersymmetry transformations, with drastic consequences for the multiplets of localized normalizable states in the model. It is only this fact which allows us to decompose the full state space into multiplets of the global supersymmetry. We analyze these decompositions systematically as a preparation for a forthcoming study of the RR deformation. (orig.)

  13. The WZNW model on PSU(1, 1 vertical stroke 2)

    Energy Technology Data Exchange (ETDEWEB)

    Goetz, G. [CEA Centre d' Etudes de Saclay, 91 - Gif-sur-Yvette (France). Service de Physique Theorique; Quella, T. [King' s College London (United Kingdom). Dept. of Mathematics]|[Amsterdam Univ. (Netherlands). KdV Institute for Mathematics; Schomerus, V. [CEA Centre d' Etudes de Saclay, 91 - Gif-sur-Yvette (France). Service de Physique Theorique]|[Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany)

    2006-10-15

    According to the work of Berkovits, Vafa and Witten, the non-linear sigma model on the supergroup PSU(1,1 vertical stroke 2) is the essential building block for string theory on AdS{sub 3}xS{sup 3}xT{sup 4}. Models associated with a non-vanishing value of the RR flux can be obtained through a psu(1,1 vertical stroke 2) invariant marginal deformation of the WZNW model on PSU(1,1 vertical stroke 2). We take this as a motivation to present a manifestly psu(1,1 vertical stroke 2) covariant construction of the model at the Wess-Zumino point, corresponding to a purely NSNS background 3-form flux. At this point the model possesses an enhanced psu(1,1 vertical stroke 2) current algebra symmetry whose representation theory, including explicit character formulas, is developed systematically in the first part of the paper. The space of vertex operators and a free fermion representation for their correlation functions is our main subject in the second part. Contrary to a widespread claim, bosonic and fermionic fields are necessarily coupled to each other. The interaction changes the supersymmetry transformations, with drastic consequences for the multiplets of localized normalizable states in the model. It is only this fact which allows us to decompose the full state space into multiplets of the global supersymmetry. We analyze these decompositions systematically as a preparation for a forthcoming study of the RR deformation. (orig.)

  14. S-Nitrosation destabilizes glutathione transferase P1-1.

    Science.gov (United States)

    Balchin, David; Stoychev, Stoyan H; Dirr, Heini W

    2013-12-23

    Protein S-nitrosation is a post-translational modification that regulates the function of more than 500 human proteins. Despite its apparent physiological significance, S-nitrosation is poorly understood at a molecular level. Here, we investigated the effect of S-nitrosation on the activity, structure, stability, and dynamics of human glutathione transferase P1-1 (GSTP1-1), an important detoxification enzyme ubiquitous in aerobes. S-Nitrosation at Cys47 and Cys101 reduces the activity of the enzyme by 94%. Circular dichroism spectroscopy, acrylamide quenching, and amide hydrogen-deuterium exchange mass spectrometry experiments indicate that the loss of activity is caused by the introduction of local disorder at the active site of GSTP1-1. Furthermore, the modification destabilizes domain 1 of GSTP1-1 against denaturation, smoothing the unfolding energy landscape of the protein and introducing a refolding defect. In contrast, S-nitrosation at Cys101 alone introduces a refolding defect in domain 1 but compensates by stabilizing the domain kinetically. These data elucidate the physical basis for the regulation of GSTP1-1 by S-nitrosation and provide general insight into the consequences of S-nitrosation on protein stability and dynamics.

  15. Buffer optimization for crack-free GaN epitaxial layers grown on Si(1 1 1) substrate by MOCVD

    International Nuclear Information System (INIS)

    Arslan, Engin; Ozbay, Ekmel; Ozturk, Mustafa K; Ozcelik, Suleyman; Teke, Ali

    2008-01-01

    We report the growth of GaN films on the Si(1 1 1) substrate by metalorganic chemical vapour phase deposition (MOCVD). Different buffer layers were used to investigate their effects on the structural and optical properties of GaN layers. A series of GaN layers were grown on Si(1 1 1) with different buffer layers and buffer thicknesses and were characterized by Nomarski microscopy, atomic force microscopy, high-resolution x-ray diffraction (XRD) and photoluminescence (PL) measurements. We first discuss the optimization of the LT-AlN/HT-AlN/Si(1 1 1) templates and then the optimization of the graded AlGaN intermediate layers. In order to prevent stress relaxation, step-graded AlGaN layers were introduced along with a crack-free GaN layer of thickness exceeding 2.6 μm. The XRD and PL measurements results confirmed that a wurtzite GaN was successfully grown. The resulting GaN film surfaces were flat, mirror-like and crack-free. The mosaic structure in the GaN layers was investigated. With a combination of Williamson-Hall measurements and the fitting of twist angles, it was found that the buffer thickness determines the lateral coherence length, vertical coherence length, as well as the tilt and twist of the mosaic blocks in GaN films. The PL spectra at 8 K show that a strong band edge photoluminescence of GaN on Si (1 1 1) emits light at an energy of 3.449 eV with a full width at half maximum (FWHM) of approximately 16 meV. At room temperature, the peak position and FWHM of this emission become 3.390 eV and 58 meV, respectively. The origin of this peak was attributed to the neutral donor bound exciton. It was found that the optimized total thickness of the AlN and graded AlGaN layers played a very important role in the improvement of quality and in turn reduced the cracks during the growth of GaN/Si(1 1 1) epitaxial layers

  16. Toronto's 2-1-1 healthcare services for immigrant populations.

    Science.gov (United States)

    Cortinois, Andrea A; Glazier, Richard H; Caidi, Nadia; Andrews, Gavin; Herbert-Copley, Mary; Jadad, Alejandro R

    2012-12-01

    Although access to information on health services is particularly important for recent immigrants, numerous studies have shown that their use of information and referral services is limited. This study explores the role played by 2-1-1 Toronto in supporting recent immigrants. The study objectives were to (1) understand whether 2-1-1 Toronto is reaching and supporting recent immigrants and (2) gain a better appreciation of the information needs of this population group. A phone survey was conducted in 2005-2006 to collect information on 2-1-1 users' characteristics and levels of satisfaction. Survey data were compared (in 2006) with census data to assess their representativeness. To achieve Objective 2, semistructured qualitative interviews were conducted and analyzed in 2006-2007, with a subset of Spanish-speaking callers. Recent immigrants were overrepresented among 2-1-1 callers. However, the survey population was substantially younger and had higher levels of formal education than the general population. Health-related queries represented almost one third of the total. The survey showed very high levels of satisfaction with the service. Many interviewees described their first experiences with the Canadian healthcare system negatively. Most of them had relied on disjointed, low-quality information sources. They trusted 2-1-1 but had discovered it late. Results are mixed in terms of 2-1-1's support to immigrants. A significant percentage of users do not take full advantage of the service. The service could become the information "entry point" for recent immigrants if it was able to reach them early in the resettlement process. Proactive, community-oriented work and a more creative use of technology could help. Copyright © 2012 American Journal of Preventive Medicine. All rights reserved.

  17. Role of endothelin-converting enzyme, chymase and neutral endopeptidase in the processing of big ET-1, ET-1(1-21) and ET-1(1-31) in the trachea of allergic mice.

    Science.gov (United States)

    De Campo, Benjamin A; Goldie, Roy G; Jeng, Arco Y; Henry, Peter J

    2002-08-01

    The present study examined the roles of endothelin-converting enzyme (ECE), neutral endopeptidase (NEP) and mast cell chymase as processors of the endothelin (ET) analogues ET-1(1-21), ET-1(1-31) and big ET-1 in the trachea of allergic mice. Male CBA/CaH mice were sensitized with ovalbumin (10 microg) delivered intraperitoneal on days 1 and 14, and exposed to aerosolized ovalbumin on days 14, 25, 26 and 27 (OVA mice). Mice were killed and the trachea excised for histological analysis and contraction studies on day 28. Tracheae from OVA mice had 40% more mast cells than vehicle-sensitized mice (sham mice). Ovalbumin (10 microg/ml) induced transient contractions (15+/-3% of the C(max)) in tracheae from OVA mice. The ECE inhibitor CGS35066 (10 microM) inhibited contractions induced by big ET-1 (4.8-fold rightward shift of dose-response curve; Peffect on contractions induced by any of the ET analogues used. The NEP inhibitor CGS24592 (10 microM) inhibited contractions induced by ET-1(1-31) (6.2-fold rightward shift; Pbig ET-1. These data suggest that big ET-1 is processed predominantly by a CGS35066-sensitive ECE within allergic airways rather than by mast cell-derived proteases such as chymase. If endogenous ET-1(1-31) is formed within allergic airways, it is likely to undergo further conversion by NEP to more active products.

  18. Sudden death caused by 1,1-difluoroethane inhalation.

    Science.gov (United States)

    Xiong, Zhenggang; Avella, Joseph; Wetli, Charles V

    2004-05-01

    A 20-year-old man was found dead on the floor next to a computer, with a nearly full can of "CRC Duster" dust remover located next to the deceased on the floor, and an empty can of the same product on the computer desk. Toxicologic evaluation using either gas chromatography/mass spectrometry (GC/MS) or gas chromatography/flame ionization detector (GC/FID) method identified the active ingredient 1,1-difluoroethane (Freon 152a) in all tissues analyzed. Tissue distribution studies revealed highest concentration in central blood, lung, and liver. It is believed that the 1,1-difluoroethane inhalation was the cause of death.

  19. Synthesis of dimethyl-1,1 guanylguanidine-{sup 14}C-2,4 (dimethyl-1-1 biguanide) hydrochloride; Synthese du chlorhydrate de dimethyl-1,1 guanylguanidine {sup 14}C-2,4 (dimethyl-1-1 biguanide)

    Energy Technology Data Exchange (ETDEWEB)

    Herbert, M; Pichat, L [Commissariat a l' Energie Atomique, Saclay (France).Centre d' Etudes Nucleaires

    1961-07-01

    A description of the synthesis of dimethyl-1,1 guanylguanidine-{sup 14}C-2,4 hydrochloride passing through the {sup 14}C{sub 2} dicyandiamide. The overall yield with respect to Ba{sup 14}CO{sub 3} is 38 per cent. (author) [French] Description de la synthese du chlorhydrate de dimethyl-1,1 guanylguanidine {sup 14}C-2,4 par l'intermediaire de la dicyandiamide {sup 14}C{sub 2}. Le rendement global par rapport a {sup 14}CO{sub 3}Ba est de 38 pour cent. (auteur)

  20. Development and application of STCP Mod 1.1

    International Nuclear Information System (INIS)

    Hu Zhiyi

    1990-01-01

    A state-of-the-art Source Term Code Package-STCP Mod 1.1 is used for assessing the release of radioactive materials to the environment in severe reactor accidents. Its structure and function, and its installation and development on CYBER computer in China are introduced. Through calculations and analyses for 4 selected severe accident sequences from ZION Nuclear Power Plant of the U.S., it shows that the developed STCP Mod 1.1 is suitable to calculate varios scenarios as long as the selections of the model and parameters are reasonable

  1. (1+1) EA on Generalized Dynamic OneMax

    DEFF Research Database (Denmark)

    Kötzing, Timo; Lissovoi, Andrei; Witt, Carsten

    2015-01-01

    . We get tight bounds both for the case of bit strings, as well as for the case of more than two values per position. Surprisingly, in the latter setting, the expected quality of the search point maintained by the (1+1) EA does not depend on the number of values per dimension....... using the modern tool of drift analysis. We extend these results to search spaces which allow for more than two values per dimension. Furthermore, we make an anytime analysis as suggested by Jansen and Zarges (2014), analyzing how closely the (1+1) EA can track the dynamically moving optimum over time...

  2. IDC Use Case Model Survey Version 1.1.

    Energy Technology Data Exchange (ETDEWEB)

    Harris, James Mark [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Carr, Dorthe B. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2015-02-01

    This document contains the brief descriptions for the actors and use cases contained in the IDC Use Case Model. REVISIONS Version Date Author/Team Revision Description Authorized by V1.0 12/2014 SNL IDC Reengineering Project Team Initial delivery M. Harris V1.1 2/2015 SNL IDC Reengineering Project Team Iteration I2 Review Comments M. Harris

  3. Type 1,1-operators defined by vanishing frequency modulation

    DEFF Research Database (Denmark)

    Johnsen, Jon

    2009-01-01

    This paper presents a general definition of pseudo-differential operators of type 1,1; the definition is shown to be the largest one that is both compatible with negliible operators and stable under vanishing frequency modulation. Elaborating counter-examples of Ching, Hörmander and Parenti...

  4. Type 1,1-operators defined by vanishing frequency modulation

    DEFF Research Database (Denmark)

    Johnsen, Jon

    This paper presents a general definition of pseudo-differential operators of type 1,1; the definition is shown to be the largest one that is both compatible with negligible operators and stable under vanishing frequency modulation. Elaborating counter-examples of Ching andHörmander, type 1...

  5. The critical $A_{n-1}^{(1)}$ chain

    OpenAIRE

    Kojima, T.; Yamasita, S.

    2000-01-01

    We study the $A_{n-1}^{(1)}$ spin chain at the critical regime $|q|=1$. We give the free boson realizations of the type-I vertex operators and their duals. Using these free boson realizations, we give the integral representations for the correlation functions.

  6. Principle Paradigms Revisiting the Dublin Core 1:1 Principle

    Science.gov (United States)

    Urban, Richard J.

    2012-01-01

    The Dublin Core "1:1 Principle" asserts that "related but conceptually different entities, for example a painting and a digital image of the painting, are described by separate metadata records" (Woodley et al., 2005). While this seems to be a simple requirement, studies of metadata quality have found that cultural heritage…

  7. Sphaleron rate at high temperature in 1+1 dimensions

    International Nuclear Information System (INIS)

    Smit, Jan; Tang, W.H.

    1999-01-01

    We resolve the controversy in the high temperature behavior of the sphaleron rate in the abelian Higgs model in 1+1 dimensions. The T 2 behavior at intermediate lattice spacings is found to change into T ((2)/(3)) behavior in the continuum limit. The results are supported by analytic arguments that the classical approximation is good for this model

  8. Dynamics of the retrograde 1/1 mean motion resonance

    Science.gov (United States)

    Huang, Yukun; Li, Miao; Li, Junfeng; Gong, Shengping

    2018-04-01

    Mean motion resonances are very common in the solar system. Asteroids in mean motion resonances with giant planets have been studied for centuries. But it was not until recently that asteroids in retrograde mean motion resonances with Jupiter and Saturn were discovered. The newly discovered asteroid, 2015 BZ509 is confirmed to be the first asteroid in retrograde 1:1 mean motion resonance (or retrograde co-orbital resonance) with Jupiter, which gives rise to our interests in its unique resonant dynamics. In this study, we thoroughly investigate the phase-space structure of the retrograde 1:1 resonance within the framework of the circular restricted three-body problem. We begin by constructing a simple integrable approximation for the planar retrograde resonance with the Hamiltonian approach and show that the variables definition of the retrograde resonance is very different to the prograde one. When it comes to the disturbing function, we abandon the classical series expansion approach, whereas numerically carry out the averaging process on the disturbing function in closed form. The phase portrait of the retrograde 1:1 resonance is depicted with the level curves of the averaged Hamiltonian. We find that the topological structure of phase space for the retrograde 1:1 resonance is very different to other resonances, due to the consistent existence of the collision separatrix. And the surprising bifurcation of equilibrium point around 180° (i.e., the apocentric libration center) has never been found in any other mean motion resonances before. We thoroughly analyze the novel apocentric librations and find that close encounter with the planet does not always lead to the disruption of a stable apocentric libration. Afterwards, we examine the Kozai dynamics inside the mean motion resonance with the similar Hamiltonian approach and explain why the exact resonant point does not exist in the 3D retrograde 1:1 resonance model.

  9. DFT study on dry reforming of methane over Ni2Fe overlayer of Ni(1 1 1) surface

    Science.gov (United States)

    Xu, Li-li; Wen, Hong; Jin, Xin; Bing, Qi-ming; Liu, Jing-yao

    2018-06-01

    We reported the complete catalytic cycle of dry reforming of methane (DRM) on Ni2Fe overlayer of Ni(1 1 1) surface by periodic density functional theory (DFT) calculations. The pathways for dehydrogenation of CH4 and CO2 activation were located. Our results demonstrate that compared with pure Ni(1 1 1) surface, the introduction Fe into Ni increases the energy barrier of CH dissociation to carbon and hydrogen atoms, thereby suppressing coke deposition on the surface, while it promotes the H-induced CO2 activation pathway to form OH radical, and thus not only the surface oxygen but also OH are responsible for the oxidation of CHx (x = 0,1) on the Ni2Fe overlayer. The most favorable pathway of CH/C oxidation is found to be CH∗ + OH∗ → CHOH∗ → CHO∗ + H∗ → CO∗ + 2H∗, with the rate-limiting energy barrier of 1.12 eV. Furthermore, since Fe is oxidized partially to FeO leading to a partial dealloying under DRM conditions, we also studied the surface-carbon removal and the activity for the reforming of methane on the FeO ribbon supported Ni(1 1 1) (FeO/Ni) interface by DFT+U method. The surface C reacts with lattice oxygen of FeO to produce CO via a Mars-van Krevelen (MvK) mechanism, with a very lower energy barrier of 0.16 eV. The present results show that the introduction of Fe into Ni has a positive effect on the activity toward DRM and has an improved coke resistance.

  10. A theoretical and (e,2e) experimental investigation into the complete valence electronic structure of (1.1.1) propellane

    Energy Technology Data Exchange (ETDEWEB)

    Adcock, W.; Clark, C.I. [Flinders Univ. of South Australia, Bedford Park, SA (Australia); Brunger, M.J.; McCarthy, I.E. [Flinders Univ. of South Australia, Bedford Park, SA (Australia). School of Physical Sciences; Michalewicz, M.T. [CSIRO, Carlton, VIC (Australia). Division of Information Technology; Von Niessen, W. [Technische Univ., Braunschweig (Germany). Institute fur Physikalische and Theoretische Chemie; Weigold, E. [Australian National Univ., Canberra, ACT (Australia). Inst. of Advanced Studies; Winkler, D.A. [Commonwealth Scientific and Industrial Research Organisation (CSIRO), Clayton, VIC (Australia). Div. of Chemical Physics

    1996-08-01

    The first comprehensive electronic structural study of the complete valence shell of [1.1.1] propellane is reported. Binding energy spectra were measured in the energy regime 3.5-46.5 eV over a range of different target electron momentum so that individual orbital momentum profiles could also be determined. These binding energy spectra were collected using an energy dispersive multichannel electron momentum spectrometer at a total energy of 1000 eV, with a coincidence energy resolution of 1.38 eV and a momentum resolution of about 0.1 a.u. The experimental orbital electron momentum profiles are compared with those calculated in the plane wave impulse approximation (PWIA) using both a triple zeta plus polarisation level SCF wavefunction and a further 13 basis sets as calculated using Density Functional Theory (DFT). A critical comparison between the experimental an theoretical momentum distributions (MDs) allows to determine the optimum wavefunction for [1.1.1]propellane. In general, the level of agreement between the experimental and theoretical MDs for the optimum wavefunction for all of the respective valence orbitals was very good. The determination of this wavefunction then allowed to derive the chemically interesting molecular properties of [1.1.1]propellane. These include infrared spectra, bond lengths, bond orders, electron densities and many others. A summary of these results and a comparison of them with the previous results of other workers is presented with the level of agreement typically being good. In particular, the existence of the C1-C3 bridging bond with a bond order of 0.70 was confirmed. 59 refs., 4 tabs., 11 figs.

  11. Charge ordering in reactive sputtered (1 0 0) and (1 1 1) oriented epitaxial Fe3O4 films

    KAUST Repository

    Mi, Wenbo

    2013-06-01

    Epitaxial Fe3O4 films with (1 0 0) and (1 1 1) orientations fabricated by reactive sputtering present simultaneous magnetic and electrical transitions at 120 and 124 K, respectively. The symmetry decreases from face-centered cubic to monoclinic structure across the Verwey transition. Extra spots with different brightness at different positions appear in selected-area diffraction patterns at 95 K. The extra spots come from the charge ordering of outer-layer electrons of Fe atoms, and should be related to the charge ordering of octahedral B-site Fe atoms. © 2013 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

  12. High resolution X-ray photoelectron spectroscopy of styrene oxide adsorption and reaction on Ag(1 1 1)

    Science.gov (United States)

    Piao, H.; Enever, M. C. N.; Adib, K.; Hrbek, J.; Barteau, M. A.

    2004-11-01

    Synchrotron-based X-ray photoelectron spectroscopy (XPS) has been used to investigate the adsorption and reaction of styrene oxide on Ag(1 1 1). When adsorption is carried out at 250 K or above, ring opening of styrene oxide forms a stable surface oxametallacycle intermediate which eventually reacts at 485 K to regenerate styrene oxide. High resolution XPS is capable of distinguishing the oxametallacycle from molecularly adsorbed and condensed styrene oxide on the basis of different C1s peak separations. The observed separations are well accounted for by the results of DFT calculations.

  13. Viscosity Measurements and Correlations for 1,1,1,2-tetrafluoroethane (HFC-134a) up to 140 MPa

    DEFF Research Database (Denmark)

    Comuñas, M.J.P.; Baylaucq, A.; Cisneros, Sergio

    2003-01-01

    In spite of being one of the most studied refrigerants, large discrepancies in the experimental determination of the dynamic viscosity of 1, 1, 1,2-tetrafluoroethane (HFC-134a) prevail. Additionally, there is a need for supplementary high-pressure measurements that can help to derive sound general...... correlations for the viscosity of this compound. Hence, in this work new dynamic viscosity measurements for HFC-134a using a falling-body viscometer in the temperature range of 293.15-373.15 K and pressures up to 140 MPa are presented. This work high-pressure data in combination with already published data...

  14. Charge ordering in reactive sputtered (1 0 0) and (1 1 1) oriented epitaxial Fe3O4 films

    KAUST Repository

    Mi, Wenbo; Guo, Zaibing; Wang, Qingxiao; Yang, Yang; Bai, Haili

    2013-01-01

    Epitaxial Fe3O4 films with (1 0 0) and (1 1 1) orientations fabricated by reactive sputtering present simultaneous magnetic and electrical transitions at 120 and 124 K, respectively. The symmetry decreases from face-centered cubic to monoclinic structure across the Verwey transition. Extra spots with different brightness at different positions appear in selected-area diffraction patterns at 95 K. The extra spots come from the charge ordering of outer-layer electrons of Fe atoms, and should be related to the charge ordering of octahedral B-site Fe atoms. © 2013 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

  15. Preliminary site description Forsmark area - version 1.1

    International Nuclear Information System (INIS)

    2004-03-01

    This report presents the interim version (model version 1.1) of the preliminary Site Descriptive Model for Forsmark. The basis for this interim version is quality-assured, geoscientific and ecological field data from Forsmark that were available in the SKB databases SICADA and GIS at April 30, 2003 as well as version 0 of the Site Descriptive Model. The new data acquired during the initial site investigation phase to the date of data freeze 1.1 constitute the basis for the updating of version 0 to version 1.1. These data originate from surface investigations on the candidate area with its regional environment and from drilling and investigations in boreholes. The surface-based data sets were rather extensive whereas the data sets from boreholes were limited to information from one 1,000 m deep cored borehole (KFM01A) and eight 150 to 200 m deep percussion-drilled boreholes in the Forsmark candidate area. Discipline specific models are developed for a selected regional and local model volume and these are then integrated into a site description. The current methodologies for developing the discipline specific models and the integration of these are documented in methodology reports or strategy reports. In the present work, the guidelines given in those reports were followed to the extent possible with the data and information available at the time for data freeze for model version 1.1. Compared with version 0 there are considerable additional features in the version 1.1, especially in the geological description and in the description of the near surface. The geological models of lithology and deformation zones are based on borehole information and much higher resolution surface data. The existence of highly fractured sub-horizontal zones has been verified and these are now part of the model of the deformation zones. A discrete fracture network (DFN) model has also been developed. The rock mechanics model is based on strength information from SFR and an empirical

  16. Structural and magnetic properties of cobalt nanostructures on SiO{sub 2}/Si(1 1 1) substrates

    Energy Technology Data Exchange (ETDEWEB)

    Bounour-Bouzamouche, W. [LSPM (CNRS-UPR 3407), Université Paris 13, PRES Sorbonne-Paris-Cité, 99 avenue Jean-Baptiste Clément, 93430 Villetaneuse (France); LEREC, Université d’Annaba, BP12 – 23000 (Algeria); Chérif, S.M., E-mail: cherif@univ-paris13.fr [LSPM (CNRS-UPR 3407), Université Paris 13, PRES Sorbonne-Paris-Cité, 99 avenue Jean-Baptiste Clément, 93430 Villetaneuse (France); Farhat, S.; Roussigné, Y.; Tallaire, A.; Gicquel, A. [LSPM (CNRS-UPR 3407), Université Paris 13, PRES Sorbonne-Paris-Cité, 99 avenue Jean-Baptiste Clément, 93430 Villetaneuse (France); Lungu, C.P. [NILPR, 409, Magurele, JudIlfov, 077125 Bucharest (Romania); Guerioune, M. [LEREC, Université d’Annaba, BP12 – 23000 (Algeria)

    2014-11-30

    Highlights: • Heat and plasma treatments of ultrathin cobalt films deposited on SiO{sub 2}/Si(1 1 1) create highly auto-organized structures. • Direct correlation between the film thickness and the size of the nanoparticles formed after thermal annealing. • Modification of the surface morphology strongly influences the magnetic response of the investigated films. • Formation of Co islands in triangular shapes is found to play a key role in the enhancement of the coercive field. - Abstract: 2D architectures of cobalt onto silicon (1 1 1) surfaces were elaborated by patterning of magnetic cobalt in the nanometer scale. A continuous cobalt layer of 1, 3 and 10 nm thickness, respectively, was first deposited by means of thermoionic vacuum arc technique and then, thermally annealed in vacuum at temperatures ranging from 450 to 800 °C. Surface structure was analyzed by atomic force and field emission-scanning electron microscopies. Above 750 °C, regular triangular shape cobalt nanostructures are formed with pattern dimensions varying between 10 and 200 nm. Good control of shape and packing density could be achieved by adjusting the initial thickness and the thermal and hydrogen plasma treatments. Magnetic properties were investigated using vibrating sample magnetometer technique. The evolution of the coercive field versus packing density and dimensions of the nanostructures was studied and compared to micromagnetic calculations. The observed nanostructures have been modeled by a series of shapes tending to a fractal curve.

  17. Study of radiation damage restoration and antimony ions redistribution in Si(1 0 0) and Si(1 1 1) crystals

    CERN Document Server

    Labbani, R; Chafi, Z

    2002-01-01

    In this work, we study the radiation damage restoration and antimony ions redistribution into and oriented silicon substrates. The samples are implanted with antimony to a dose of 5x10 sup 1 sup 4 Sb sup + cm sup - sup 2 at 60 keV energy, then annealed under oxygen atmosphere at 900 deg. C, 30 min. The thin layer of SiO sub 2 (which is formed on Si surface by dry oxidation and expected to prevent any loss of Sb sup + dopant during Si recovery) is removed by a 10% HF solution. The specimens are analyzed by H sup + Rutherford Backscattering Spectrometry operating at 0.3 MeV energy in both random and channelling modes. The values of the projected range, R sub p , the standard deviation, DELTA R sub p , and the dose of antimony ions, which are estimated with a simple program, are in agreement with tabulated ones. It is also shown that the surface damage restoration is better for Si(1 0 0) samples than for Si(1 1 1) ones, in other words, the radiation damage is more significant in Si(1 1 1) substrates. Moreover,...

  18. Characterization of Si(1 1 1) crystals implanted with Sb{sup +} ions and annealed by rapid thermal processing

    Energy Technology Data Exchange (ETDEWEB)

    Labbani, R.; Halimi, R.; Laoui, T.; Vantomme, A.; Pipeleers, B.; Roebben, G

    2003-09-15

    Monocrystalline Si(1 1 1) targets are implanted (at room temperature) with antimony ions at 120 keV energy to 5x10{sup 14} or 5x10{sup 15} Sb{sup +} cm{sup -2} dose. The samples are heat treated by means of rapid thermal processing (RTP) at 1000 deg. C during 60 s, under nitrogen atmosphere. In this work, we report the measured evolution of the silicon surface damage and the radiation damage recovery in relation to antimony dose and RTP processing. We also study the behavior of antimony dopant into Si(1 1 1) specimens. The investigation is carried out by He{sup +} Rutherford backscattering spectrometry (RBS; operating at 1.57 MeV energy in both random and channeling modes), X-ray diffraction (XRD) and atomic force microscopy (AFM) techniques. It is shown that a good surface damage recovery is obtained for all the annealed samples. However, after RTP, a significant loss of antimony has occurred for the specimens which are implanted with 5x10{sup 15} Sb{sup +} cm{sup -2} dose. This suggests an antimony out-diffusion. Finally, a good morphological characterization of the specimens is provided by AFM.

  19. Measurements of the vapor-liquid coexistence curve and the critical parameters for 1,1,1,2-tetrafluoroethane

    Science.gov (United States)

    Kabata, Y.; Tanikawa, S.; Uematsu, M.; Watanabe, K.

    1989-05-01

    Measurements of the vapor-liquid coexistence curve in the critical region for 1,1,1,2-tetrafluoroethane (R134a; CH2FCF3), which is currently considered as a prospective substitute for conventional refrigerant R12, have been performed by visual observation of the disappearance of the meniscus at the vapor-liquid interface within an optical cell. Twenty-seven saturated densities along the vapor-liquid coexistence curve between 208 and 999 kg·m-3 have been obtained in the temperature range 343 K to the critical temperature. The experimental uncertainties in temperature and density measurements have been estimated to be within ±10mK and ±0.55%, respectively. On the basis of these measurements near the critical point, the critical temperature and the critical density for 1,1,1,2-tetrafluoroethane were determined in consideration of the meniscus disappearing level as well as the intensity of the critical opalescence. In addition, the critical exponent ß along the vapor-liquid coexistence curve has been determined in accord with the difference between the density of the saturated liquid and that of the saturated vapor.

  20. Supersymmetric solutions of N =(1 ,1 ) general massive supergravity

    Science.gov (United States)

    Deger, N. S.; Nazari, Z.; Sarıoǧlu, Ö.

    2018-05-01

    We construct supersymmetric solutions of three-dimensional N =(1 ,1 ) general massive supergravity (GMG). Solutions with a null Killing vector are, in general, pp-waves. We identify those that appear at critical points of the model, some of which do not exist in N =(1 ,1 ) new massive supergravity (NMG). In the timelike case, we find that many solutions are common with NMG, but there is a new class that is genuine to GMG, two members of which are stationary Lifshitz and timelike squashed AdS spacetimes. We also show that in addition to the fully supersymmetric AdS vacuum, there is a second AdS background with a nonzero vector field that preserves 1 /4 supersymmetry.

  1. Integrable models in 1+1 dimensional quantum field theory

    International Nuclear Information System (INIS)

    Faddeev, Ludvig.

    1982-09-01

    The goal of this lecture is to present a unifying view on the exactly soluble models. There exist several reasons arguing in favor of the 1+1 dimensional models: every exact solution of a field-theoretical model can teach about the ability of quantum field theory to describe spectrum and scattering; some 1+1 d models have physical applications in the solid state theory. There are several ways to become acquainted with the methods of exactly soluble models: via classical statistical mechanics, via Bethe Ansatz, via inverse scattering method. Fundamental Poisson bracket relation FPR and/or fundamental commutation relations FCR play fundamental role. General classification of FPR is given with promizing generalizations to FCR

  2. Anti-Pauli blocking in QCD1+1

    International Nuclear Information System (INIS)

    Burkardt, M.; Busch, R.

    1991-02-01

    We investigate the flavor asymmetry of the q bar q sea in a (uu)-proton for QCD 1+1 with SU(2)-color. The excess of bar u over bar d which apparently seems to be in conflict with the exclusion principle is explained by taking the color degrees of freedom into account. By computing color factors for the relevant perturbation theory diagrams we show that the non-abelian sea quarks behave effectively similar to abelian bosons. For the magnitude of the flavor asymmetry of the sea we predict scaling proportional to the ratio of the quark Compton wavelength to the proton radius. We show that the sign of the asymmetry in QCD 1+1 is different from the sign measured in 3+1 dimensions. 9 refs., 1 fig., 1 tab

  3. IDC System Specification Document Version 1.1.

    Energy Technology Data Exchange (ETDEWEB)

    Harris, James M. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Lober, Randall R. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2015-02-01

    This document contains the system specifications derived to satisfy the system requirements found in the IDC System Requirements Document for the IDC Reengineering Phase 2 project. Revisions Version Date Author/Team Revision Description Authorized by V1.0 12/2014 IDC Reengineering Project Team Initial delivery M. Harris V1.1 2/2015 IDC Reengineering Project Team Iteration I2 Review Comments M. Harris

  4. 2,2-Dinitroethene-1,1-Diamine

    Czech Academy of Sciences Publication Activity Database

    Šimková, Ludmila; Liška, F.; Ludvík, Jiří

    2011-01-01

    Roč. 15, č. 17 (2011), s. 2983-2995 ISSN 1385-2728 R&D Projects: GA ČR GAP206/11/0727; GA MŠk ME09002 Institutional research plan: CEZ:AV0Z40400503 Keywords : 1,1-diamino-2,2-dinitroethene * FOX-7 * DADNE Subject RIV: CG - Electrochemistry Impact factor: 3.064, year: 2011

  5. Information Sharing from 9-1-1 Centers

    Science.gov (United States)

    2014-09-01

    Police Chief, 2014, http://www.policechiefmagazine.org/ magazine /index.cfm?fuseaction=display_arch&article_id=1199&issue _id=62007. 2 “9-1-1 History...Homeland Security Magazine ,51 discusses the pros and cons of using social media to 49 Jennifer E...Information Dilemmas in Biotechnology : Organizational Boundaries As Trust Production, NBER WorkingPaper No. 5199, National Bureau of Economic

  6. Technetium (tin) ethane-1-hydroxy-1, 1-diphosphonate complexes

    International Nuclear Information System (INIS)

    Brand, J.A.G.M.

    1981-10-01

    The aim of this thesis is to establish the experimental conditions for the optimal preparation of the sup(99m)Tc(Sn)EHDP bone scanning agent. The pH and the concentrations of EHDP (ethane-1-hydroxy-1,1-disodium diphosphonate) and of Sn(II) may affect the yield and the biodistribution of the radiopharmacon. The investigation of the influence of these parameters is the subject of this investigation. (Auth.)

  7. Preparation and Hydrogen Storage Properties of Mg-Rich Mg-Ni Ultrafine Particles

    Directory of Open Access Journals (Sweden)

    Jianxin Zou

    2012-01-01

    Full Text Available In the present work, Mg-rich Mg-Ni ultrafine powders were prepared through an arc plasma method. The phase components, microstructure, and hydrogen storage properties of the powders were carefully investigated. It is found that Mg2Ni and MgNi2 could be obtained directly from the vapor state reactions between Mg and Ni, depending on the local vapor content in the reaction chamber. A nanostructured MgH2 + Mg2NiH4 hydrogen storage composite could be generated after hydrogenation of the Mg-Ni ultrafine powders. After dehydrogenation, MgH2 and Mg2NiH4 decomposed into nanograined Mg and Mg2Ni, respectively. Thermogravimetry/differential scanning calorimetry (TG/DSC analyses showed that Mg2NiH4 phase may play a catalytic role in the dehydriding process of the hydrogenated Mg ultrafine particles.

  8. First-principles investigation of the structure and synergistic chemical bonding of Ag and Mg at the Al | Ω interface in a Al-Cu-Mg-Ag alloy

    International Nuclear Information System (INIS)

    Sun Lipeng; Irving, Douglas L.; Zikry, Mohammed A.; Brenner, D.W.

    2009-01-01

    Density functional theory was used to characterize the atomic structure and bonding of the Al | Ω interface in a Al-Cu-Mg-Ag alloy. The most stable interfacial structure was found to be connected by Al-Al bonds with a hexagonal Al lattice on the surface of the Ω phase sitting on the vacant hollow sites of the Al {1 1 1} matrix plane. The calculations predict that when substituted separately for Al at this interface, Ag and Mg do not enhance the interface stability through chemical bonding. Combining Ag and Mg, however, was found to chemically stabilize this interface, with the lowest-energy structure examined being a bi-layer with Ag atoms adjacent to the Al matrix and Mg adjacent to the Ω phase. This study provides an atomic arrangement for the interfacial bi-layer observed experimentally in this alloy.

  9. Preliminary site description. Simpevarp area - version 1.1

    International Nuclear Information System (INIS)

    Winberg, Anders

    2004-08-01

    Site characterisation in the Oskarshamn area is currently conducted at two adjoining localities, the Simpevarp and Laxemar subareas. This report presents the interim version (model version Simpevarp 1.1 of S1.1 for short) of the preliminary Site Descriptive Model for the Simpevarp subarea. The basis for this interim version is quality-assured, geoscientific and ecological field data from the Simpevarp subarea (and in part from the Laxemar area) available in the SKB SICADA and GIS data bases as of July 1, 2003 as well as version 0 of the Site Descriptive Model. The new data collected during the initial site investigation phase up till the date of data freeze S1.1 constitute the basis for the update of version 0 to version S1.1. These data include results from surface investigations in the subarea with its regional environment and from drillings and investigations in boreholes. The surface-based data sets were, in a relative sense, extensive compared with data sets from boreholes, were the information largely was limited to information from one c. 1,000 m deep cored borehole (KSH01A), two existing cored boreholes and three c. 200 m deep percussion-drilled boreholes. Discipline-specific models are developed for the selected regional and local model volumes and these models are subsequently integrated into a unified site description. The current methodologies for developing discipline-specific models and their integration are documented in methodology/ strategy reports. In the present work, the procedures and guidelines given in those reports were followed to the extent possible given the data and information available at the time of data freeze for model version S1.1. Compared with version 0 there are considerable additional features in the version S1.1, especially in the geological description and in the description of the near surface. The geological models of lithology and deformation zones are based on borehole information and surface data of much higher

  10. Preliminary site description Forsmark area - version 1.1

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2004-03-01

    This report presents the interim version (model version 1.1) of the preliminary Site Descriptive Model for Forsmark. The basis for this interim version is quality-assured, geoscientific and ecological field data from Forsmark that were available in the SKB databases SICADA and GIS at April 30, 2003 as well as version 0 of the Site Descriptive Model. The new data acquired during the initial site investigation phase to the date of data freeze 1.1 constitute the basis for the updating of version 0 to version 1.1. These data originate from surface investigations on the candidate area with its regional environment and from drilling and investigations in boreholes. The surface-based data sets were rather extensive whereas the data sets from boreholes were limited to information from one 1,000 m deep cored borehole (KFM01A) and eight 150 to 200 m deep percussion-drilled boreholes in the Forsmark candidate area. Discipline specific models are developed for a selected regional and local model volume and these are then integrated into a site description. The current methodologies for developing the discipline specific models and the integration of these are documented in methodology reports or strategy reports. In the present work, the guidelines given in those reports were followed to the extent possible with the data and information available at the time for data freeze for model version 1.1. Compared with version 0 there are considerable additional features in the version 1.1, especially in the geological description and in the description of the near surface. The geological models of lithology and deformation zones are based on borehole information and much higher resolution surface data. The existence of highly fractured sub-horizontal zones has been verified and these are now part of the model of the deformation zones. A discrete fracture network (DFN) model has also been developed. The rock mechanics model is based on strength information from SFR and an empirical

  11. Charge exchange of He atoms and ions during grazing collisions with a Ag(1 1 1)-surface

    CERN Document Server

    Wethekam, S; Winter, H

    2003-01-01

    He atoms and He sup + ions are scattered with keV energies under a grazing angle of incidence from an atomically flat and clean Ag(1 1 1) surface. We have measured charge fractions of specularly reflected beams and studied the threshold behaviour for ionization of projectiles in terms of kinematically induced Auger ionization. From comparison of data for neutral and ionized projectiles we could show that precise studies on the kinematic onset of ionization can be performed with neutral projectiles. Small but defined fractions of ions survive the scattering event with the surface which affects the evaluation of data close to the threshold owing to a background of the signals for ions.

  12. Inelastic energy loss in large angle scattering of Ar9+ ions from Au(1 1 1) crystal

    International Nuclear Information System (INIS)

    Pesic, Z.D.; Anton, J.; Bremer, J.H.; Hoffmann, V.; Stolterfoht, N.; Vikor, Gy.; Schuch, R.

    2003-01-01

    The azimuthal angle dependence of the energy loss in large-angle scattering of slow (v∼0.06 a.u.) Ar 9+ ions from a Au(1 1 1) single crystal was investigated. Regarding the kinematics of quasi-single collisions, the smallest energy loss is expected for the azimuthal orientations which correspond to the closest packed atomic row of the crystal. This agrees with the prediction of a trajectory simulation (Marlowe code), but the experimental results don't show such dependence. Thus, we discuss possible inelastic processes as image charge energy gain, electronic energy loss in close collision and the electronic energy loss in the interaction with the electron gas. The observed azimuthal dependence is explained by the change of the electronic stopping power due to the variation of effective electron density sampled by the projectile

  13. A separation process for hydrogen fluoride from its mixtures with 1,1,1-trifluoro-2-chloroethane

    Energy Technology Data Exchange (ETDEWEB)

    Galland, J.M.; Perdriau, R.; Rouzies, D.

    1994-03-11

    When decanting the mixture of hydrogen fluoride (HF) and 1,1,1-trifluoro-2-chloroethane (F133a) at a temperature between -40 deg C and -10 deg C, a lower organic phase, poor in HF, and a superior phase, rich in HF, are obtained (the reaction may be activated with trichlorethylen); the superior phase can be directly recycled in the fluorination reactor or distilled in order to separate the HF-F133a azeotrope (the head), which is sent back to the decanter, and a quasi-pure HF (the ends). The lower phase distillation produces HF-F133a (head) and a mixture of F133a and trichlorethylen (ends); this mixture is then distilled and pure F133a is separated from trichlorethylen. 9 p., 2 fig.

  14. Pd-catalyzed coupling reaction on the organic monolayer: Sonogashira reaction on the silicon (1 1 1) surfaces

    International Nuclear Information System (INIS)

    Qu Mengnan; Zhang Yuan; He Jinmei; Cao Xiaoping; Zhang Junyan

    2008-01-01

    Iodophenyl-terminated organic monolayers were prepared by thermally induced hydrosilylation on hydrogen-terminated silicon (1 1 1) surfaces. The films were characterized by ellipsometry, contact-angle goniometry, and X-ray photoelectron spectroscopy (XPS). To modify the surface chemistry and the structure of the monolayers, the Sonogashira coupling reaction was performed on the as-prepared monolayers. The iodophenyl groups on the film surfaces reacted with 1-ethynyl-4-fluorobenzene or the 1-chloro-4-ethynylbenzene under the standard Sonogashira reaction conditions for attaching conjugated molecules via the formation of C-C bonds. It is expected that this surface coupling reaction will present a new method to modify the surface chemistry and the structure of monolayers

  15. Effects of 1,1,1-Trichloroethane and Triclocarban on Reductive Dechlorination of Trichloroethene in a TCE-Reducing Culture.

    Science.gov (United States)

    Wen, Li-Lian; Chen, Jia-Xian; Fang, Jia-Yi; Li, Ang; Zhao, He-Ping

    2017-01-01

    Chlorinated compounds were generally present in the environment due to widespread use in the industry. A short-term study was performed to evaluate the effects of 1,1,1- trichloroethane (TCA) and triclocarban (TCC) on trichloroethene (TCE) removal in a reactor fed with lactate as the sole electron donor. Both TCA and TCC inhibited TCE reduction, but the TCC had a more pronounced effect compared to TCA. The TCE-reducing culture, which had never been exposed to TCA before, reductively dechlorinated TCA to 1,1-dichloroethane (DCA). Below 15 μM, TCA had little effect on the transformation of TCE to cis -dichloroethene (DCE); however, the reduction of cis -DCE and vinyl chloride (VC) were more sensitive to TCA, and ethene production was completely inhibited when the concentration of TCA was above 15 μM. In cultures amended with TCC, the reduction of TCE was severely affected, even at concentrations as low as 0.3 μM; all the cultures stalled at VC, and no ethene was detected. The cultures that fully transformed TCE to ethene contained 5.2-8.1% Dehalococcoides . Geobacter and Desulfovibrio , the bacteria capable of partially reducing TCE to DCE, were detected in all cultures, but both represented a larger proportion of the community in TCC-amended cultures. All cultures were dominated by Clostridium _sensu_stricto_7, a genus that belongs to Firmicutes with proportions ranging from 40.9% (in a high TCC (15 μM) culture) to 88.2%. Methanobacteria was detected at levels of 1.1-12.7%, except in cultures added with 15 and 30 μM TCA, in which they only accounted for ∼0.4%. This study implies further environmental factors needed to be considered in the successful bioremediation of TCE in contaminated sites.

  16. Trends with coverage and pH in Stark tuning rates for CO on Pt(1 1 1) electrodes

    International Nuclear Information System (INIS)

    Uddin, Jamal; Anderson, Alfred B.

    2013-01-01

    The general understanding of so-called electrochemical Stark tuning rates, that is, the potential dependence of vibrational frequency of CO adsorbed on Pt(1 1 1), has developed over the past thirty years in terms of two semiempirical models. The first is the Fermi level shift model used in non-self-consistent-field one-electron molecular orbital theory. This approach has provided qualitative understanding in terms of Fermi level-dependent variations in σ and π orbital bonding between CO and the electrode surface atoms. The second is the use of self-consistent-field theory with surface charging to create adjustable electric fields. Adsorbed CO then reacts to the field in a classical Stark effect with some small uncharacterized Fermi level shift superimposed. It is now possible, using two-dimensional density functional theory, including electrolyte polarization from surface charging, and the dielectric continuum to approximate solvation energy, to calculate the tuning rate in response to shifts in the Fermi level and electrode potential caused by changing the surface charge density. Here we apply this first principles method to calculate trends in the tuning rate for CO adsorbed on 1-fold Pt(1 1 1) sites with changes in CO(ads) coverage and with changes in electrolyte pH. The tuning rate is calculated to decrease as the coverage is increased and, for high coverage, to increase as the pH is increased. These trends are shown to be in qualitative agreement with the very little existing experimental data for these trends

  17. Effects of 1,1,1-Trichloroethane and Triclocarban on Reductive Dechlorination of Trichloroethene in a TCE-Reducing Culture

    Directory of Open Access Journals (Sweden)

    Li-Lian Wen

    2017-08-01

    Full Text Available Chlorinated compounds were generally present in the environment due to widespread use in the industry. A short-term study was performed to evaluate the effects of 1,1,1- trichloroethane (TCA and triclocarban (TCC on trichloroethene (TCE removal in a reactor fed with lactate as the sole electron donor. Both TCA and TCC inhibited TCE reduction, but the TCC had a more pronounced effect compared to TCA. The TCE-reducing culture, which had never been exposed to TCA before, reductively dechlorinated TCA to 1,1-dichloroethane (DCA. Below 15 μM, TCA had little effect on the transformation of TCE to cis-dichloroethene (DCE; however, the reduction of cis-DCE and vinyl chloride (VC were more sensitive to TCA, and ethene production was completely inhibited when the concentration of TCA was above 15 μM. In cultures amended with TCC, the reduction of TCE was severely affected, even at concentrations as low as 0.3 μM; all the cultures stalled at VC, and no ethene was detected. The cultures that fully transformed TCE to ethene contained 5.2–8.1% Dehalococcoides. Geobacter and Desulfovibrio, the bacteria capable of partially reducing TCE to DCE, were detected in all cultures, but both represented a larger proportion of the community in TCC-amended cultures. All cultures were dominated by Clostridium_sensu_stricto_7, a genus that belongs to Firmicutes with proportions ranging from 40.9% (in a high TCC (15 μM culture to 88.2%. Methanobacteria was detected at levels of 1.1–12.7%, except in cultures added with 15 and 30 μM TCA, in which they only accounted for ∼0.4%. This study implies further environmental factors needed to be considered in the successful bioremediation of TCE in contaminated sites.

  18. First-principles study of the pentacene/Cu(1 1 1) interface: Adsorption states and vacuum level shifts

    International Nuclear Information System (INIS)

    Toyoda, Kenji; Nakano, Yosuke; Hamada, Ikutaro; Lee, Kyuho; Yanagisawa, Susumu; Morikawa, Yoshitada

    2009-01-01

    We have studied the interaction of pentacene with a Cu(1 1 1) surface using density functional theory (DFT) within a generalized gradient approximation (GGA) and the van der Waals density functional [vdW-DF, M. Dion, H. Rydberg, E. Schroeder, D.C. Langreth, B.I. Lundqvist, Phys. Rev. Lett. 92 (2004) 246401]. The adsorption energy is accurately predicted by vdW-DF, while the equilibrium distances between pentacene and the metal substrate (Z C ) are overestimated by both GGA and vdW-DF. The work function changes depend significantly on Z C . The experimental work function change can be successfully reproduced by GGA if the experimentally reported adsorption geometry is used, whereas the magnitude of the work function change is underestimated if calculated adsorption geometries are applied. We examined the IDIS model [H. Vazquez, R. Qszwaldowski, P. Pou, J. Ortega, R. Perez, F. Flores, A. Kahn, Europhys. Lett. 65 (2004) 802] to compare it with the GGA results. The interface dipoles estimated by the IDIS model fairly agree with the GGA results, provided that the adsorption distance is large. On the other hand, they tend to deviate from the GGA results as the adsorption distance becomes smaller, where back donation from the metal surface to the adsorbate occurs. Our analysis reveals that at experimentally reported metal-organic distance, back donation is significant enough to induce polarization of pentacene molecules perpendicular to the surface, which leads to a reduction of the work function. Thus, at the experimentally reported metal-organic distance, the work function change estimated by a simple IDIS model deviates from that calculated by self-consistent GGA calculations. We also found that at the experimentally reported metal-organic distance, the transferred electrons create weak chemical bonds between pentacene and the Cu(1 1 1) surface, illustrating the reactive nature of pentacene.

  19. Core-level photoelectron study of Si(1 1 1) sq root 7x sq root 3-(Pb, Sn) surface

    CERN Document Server

    Soda, K; Takada, T; Yoshimoto, O; Kato, M; Yagi, S; Morita, K; Kamada, M

    2003-01-01

    The Sn 4d and Pb 5d core-level photoelectron spectra have been studied in order to clarify their bonding properties and atomic arrangement on a Si(1 1 1) sq root 7x sq root 3-(Pb, Sn) surface, which is formed by the coadsorption of 0.4 ML Pb and 0.4 ML Sn and shows two kinds of bright spots in the scanning tunneling microscopic (STM) images: (A) those aligned zigzag on the T sub 1 site and (B) those on the T sub 1 and H sub 3 sites along the [1 1 -2] direction. The Pb 5d spectrum shows a single spin-orbit-split feature with weak tailing towards the high binding energy side, while the Sn 4d spectrum exhibits shoulder structures at the high binding energy side of the main peaks. This definitely indicates at least two different Sn-Si bonds or inequivalent Sn adsorbing sites and single bond or site for Pb. Thus the spots A at the T sub 1 site and those B at the T sub 1 and H sub 3 sites in the STM images are ascribed to Pb and Sn adatoms, respectively. The formation process of this surface will be also discussed ...

  20. The Breakthrough Listen Search for Intelligent Life: 1.1-1.9 GHz Observations of 692 Nearby Stars

    Science.gov (United States)

    Enriquez, J. Emilio; Siemion, Andrew; Foster, Griffin; Gajjar, Vishal; Hellbourg, Greg; Hickish, Jack; Isaacson, Howard; Price, Danny C.; Croft, Steve; DeBoer, David; Lebofsky, Matt; MacMahon, David H. E.; Werthimer, Dan

    2017-11-01

    We report on a search for engineered signals from a sample of 692 nearby stars using the Robert C. Byrd Green Bank Telescope, undertaken as part of the Breakthrough Listen Initiative search for extraterrestrial intelligence. Observations were made over 1.1-1.9 GHz (L band), with three sets of five-minute observations of the 692 primary targets, interspersed with five-minute observations of secondary targets. By comparing the “ON” and “OFF” observations, we are able to identify terrestrial interference and place limits on the presence of engineered signals from putative extraterrestrial civilizations inhabiting the environs of the target stars. During the analysis, 11 events passed our thresholding algorithm, but a detailed analysis of their properties indicates that they are consistent with known examples of anthropogenic radio-frequency interference. We conclude that, at the time of our observations, none of the observed systems host high-duty-cycle radio transmitters emitting between 1.1 and 1.9 GHz with an Equivalent Isotropic Radiated Power of ˜1013 W, which is readily achievable by our own civilization. Our results suggest that fewer than ˜0.1% of the stellar systems within 50 pc possess the type of transmitters searched in this survey.

  1. Uptake and distribution of the abused inhalant 1,1-difluoroethane in the rat.

    Science.gov (United States)

    Avella, Joseph; Kunaparaju, Naveen; Kumar, Sunil; Lehrer, Michael; Zito, S William; Barletta, Michael

    2010-09-01

    1,1-Difluoroethane (DFE) is a halogenated hydrocarbon used as a propellant in products designed for dusting electronic equipment and air brush painting. When abused, inhaled DFE produces intoxication and loss of muscular coordination. To investigate DFE toxicokinetics, groups (n = 3) of Sprague-Dawley rats were exposed to 30 s of 20 L/min DFE. The experimental model was designed to mimic exposure during abuse, a protocol which has not been conducted. Tissue collection (blood, brain, heart, liver, and kidney) occurred at 0, 10, 20, 30, 45, 60, 120, 240, 480, and 900 s. Average peak DFE levels were blood 352, brain 519, heart 338, liver 187, and kidney 364 mg/L or mg/kg. The total percent uptake of the administered dose was 4.0%. Uptake into individual compartments was 2.72, 0.38, 0.15, 0.41, and 0.32% for blood, brain, heart, liver, and kidney, respectively. All animals showed signs of intoxication within 20 s manifested as lethargy, prostration and loss of righting reflex. Marked intoxication continued for about 4 min when DFE averaged 21 mg/L in blood and 17 mg/kg in brain. Between 4 and 8 min, animals continued to show signs of sedation as evidenced by reduced aggression and excitement during handling. No discernable intoxication was evident after 8 min and blood and brain levels had fallen to 10 and 6 mg/L or kg, respectively. Plots of concentration (log) versus time were consistent with a two compartment model. Initial distribution was rapid with average half life (t((1/2))) during the alpha phase of 9 s for blood, 18 s for brain and 27 s in cardiac tissue. During beta slope elimination average t((1/2)) was 86 s in blood, 110 s in brain and 168 s in heart. Late elimination half lives were longer with blood gamma = 240 s, brain gamma = 340 s, and heart gamma = 231 s. Following acute exposure the Vd = 0.06 L, beta = 0.48 min(-1), AUC = 409.8 mg.min L(-1), and CL from blood was 0.03 L min(-1). The calculated toxicokinetic data may underestimate these parameters if

  2. Ethane-1,1,2-trisphosphonic acid hemihydrate.

    Science.gov (United States)

    Delain-Bioton, Lise; Lohier, Jean François; Villemin, Didier; Sopková-de Oliveira Santos, Jana; Hix, Gary; Jaffrès, Paul Alain

    2008-02-01

    Ethane-1,1,2-trisphosphonic acid crystallizes as a hemihydrate, C(2)H(9)O(9)P(3).0.5H(2)O, in which the water O atom lies on an inversion centre in the space group P2(1)/c. The acid component, which contains a short but noncentred O-H...O hydrogen bond, adopts a gauche conformation. The acid components are linked by an extensive series of O-H...O hydrogen bonds to form layers, which are linked into pairs by the water molecules.

  3. Survey of 1 1/2D transport codes

    International Nuclear Information System (INIS)

    Grad, H.

    1978-10-01

    A survey is given of a family of classical transport codes, recently termed ''1 1/2D'', which efficiently and accurately follow the evolution of plasma configurations on a long time scale, following coupled changes in plasma shape and topology with transport (but not wave motion). Codes have been constructed and operated (since 1974) which include various combinations of finite beta, general plasma cross-section and aspect, various topologies (Doublet, tearing, reversed-field mirror) including time dependent transitions in topology resulting from external coil variation and plasma transport, with models including (classical) tensor resistivity and heat flow as well as the adiabatic limiting case

  4. A (1+1)-dimensional example of Quarkyonic matter

    International Nuclear Information System (INIS)

    Kojo, Toru

    2012-01-01

    We analyze the (1+1)-dimensional QCD (QCD 2 ) at finite density to consider a number of qualitative issues: confinement in dense quark matter, the chiral symmetry breaking near the Fermi surface, the relation between chiral spirals and quark number density, and a possibility of the spontaneous flavor symmetry breaking. We argue that while the free energy is dominated by perturbative quarks, confined excitations at zero density can persist up to high density. So quark matter in QCD 2 is an example of Quarkyonic matter. The non-Abelian bosonization and associated charge–flavor–color separation are mainly used in order to clarify basic structures of QCD 2 at finite density.

  5. Transient responses of SFG spectra of D 2O ice/CO/Pt(1 1 1) interface with irradiation of ultra-short NIR pump pulses

    Science.gov (United States)

    Kubota, Jun; Wada, Akihide; Domen, Kazunari; Kano, Satoru S.

    2002-08-01

    The behavior of D 2O ice on CO/Pt(1 1 1) and Pt(1 1 1) under the irradiation of near-IR pulses (NIR) was studied by sum-frequency generation (SFG) spectroscopy. The peaks assigned to the O-D stretching modes of ice were obtained for the first 30 molecular layers on Pt(1 1 1). When the D2O/ CO/ Pt(1 1 1) was irradiated, the signal of D 2O was weakened after 500 ps, but that of CO was weakened immediately after the pumping. A similar time response was observed for the D 2O peak in D2O/ Pt(1 1 1) . The weakening of SFG is attributed to the broadening of bands due to thermal excitation. This indicates that the energy of the pump pulse is deposited on the Pt(1 1 1) surface and diffused into the layers of D 2O ice in the 500 ps timescale.

  6. Alterations of Mg2+ After Hemorrhagic Shock.

    Science.gov (United States)

    Lee, Mun-Young; Yang, Dong Kwon; Kim, Shang-Jin

    2017-11-01

    Hemorrhagic shock is generally characterized by hemodynamic instability with cellular hypoxia and diminishing cellular function, resulting from an imbalance between systemic oxygen delivery and consumption and redistribution of fluid and electrolytes. Magnesium (Mg) is the fourth most abundant cation overall and second most abundant intracellular cation in the body and an essential cofactor for the energy production and cellular metabolism. Data for blood total Mg (tMg; free-ionized, protein-bound, and anion-bound forms) and free Mg 2+ levels after a traumatic injury are inconsistent and only limited information is available on hemorrhagic effects on free Mg 2+ as the physiologically active form. The aim of this study was to determine changes in blood Mg 2+ and tMg after hemorrhage in rats identifying mechanism and origin of the changes in blood Mg 2+ . Hemorrhagic shock produced significant increases in blood Mg 2+ , plasma tMg, Na + , K + , Cl - , anion gap, partial pressures of oxygen, glucose, and blood urea nitrogen but significant decreases in RBC tMg, blood Ca 2+ , HCO 3 - , pH, partial pressures of carbon dioxide, hematocrit, hemoglobin, total cholesterol, and plasma/RBC ATP. During hemorrhagic shock, K + , anion gap, and BUN showed significant positive correlations with changes in blood Mg 2+ level, while Ca 2+ , pH, and T-CHO correlated to Mg 2+ in a negative manner. In conclusion, hemorrhagic shock induced an increase in both blood-free Mg 2+ and tMg, resulted from Mg 2+ efflux from metabolic damaged cell with acidosis and ATP depletion.

  7. Preliminary site description. Simpevarp area - version 1.1

    Energy Technology Data Exchange (ETDEWEB)

    Winberg, Anders [ed.

    2004-08-01

    Site characterisation in the Oskarshamn area is currently conducted at two adjoining localities, the Simpevarp and Laxemar subareas. This report presents the interim version (model version Simpevarp 1.1 of S1.1 for short) of the preliminary Site Descriptive Model for the Simpevarp subarea. The basis for this interim version is quality-assured, geoscientific and ecological field data from the Simpevarp subarea (and in part from the Laxemar area) available in the SKB SICADA and GIS data bases as of July 1, 2003 as well as version 0 of the Site Descriptive Model. The new data collected during the initial site investigation phase up till the date of data freeze S1.1 constitute the basis for the update of version 0 to version S1.1. These data include results from surface investigations in the subarea with its regional environment and from drillings and investigations in boreholes. The surface-based data sets were, in a relative sense, extensive compared with data sets from boreholes, were the information largely was limited to information from one c. 1,000 m deep cored borehole (KSH01A), two existing cored boreholes and three c. 200 m deep percussion-drilled boreholes. Discipline-specific models are developed for the selected regional and local model volumes and these models are subsequently integrated into a unified site description. The current methodologies for developing discipline-specific models and their integration are documented in methodology/ strategy reports. In the present work, the procedures and guidelines given in those reports were followed to the extent possible given the data and information available at the time of data freeze for model version S1.1. Compared with version 0 there are considerable additional features in the version S1.1, especially in the geological description and in the description of the near surface. The geological models of lithology and deformation zones are based on borehole information and surface data of much higher

  8. Epitaxial growth of Co(0 0 0 1)hcp/Fe(1 1 0)bcc magnetic bi-layer films on SrTiO3(1 1 1) substrates

    International Nuclear Information System (INIS)

    Ohtake, Mitsuru; Shikada, Kouhei; Kirino, Fumiyoshi; Futamoto, Masaaki

    2008-01-01

    Co(0 0 0 1) hcp /Fe(1 1 0) bcc epitaxial magnetic bi-layer films were successfully prepared on SrTiO 3 (1 1 1) substrates. The crystallographic properties of Co/Fe epitaxial magnetic bi-layer films were investigated. Fe(1 1 0) bcc soft magnetic layer grew epitaxially on SrTiO 3 (1 1 1) substrate with two type variants, Nishiyama-Wasserman and Kurdjumov-Sachs relationships. An hcp-Co single-crystal layer is obtained on Ru(0 0 0 1) hcp interlayer, while hcp-Co layer formed on Au(1 1 1) fcc or Ag(1 1 1) fcc interlayer is strained and may involve fcc-Co phase. It has been shown possible to prepare Co/Fe epitaxial magnetic bi-layer films which can be usable for patterned media application

  9. Discovery and widespread occurrence of polyhalogenated 1,1'-dimethyl-2,2'-bipyrroles (PDBPs) in marine biota

    International Nuclear Information System (INIS)

    Hauler, Carolin; Martin, René; Knölker, Hans-Joachim; Gaus, Caroline; Mueller, Jochen F.; Vetter, Walter

    2013-01-01

    Polyhalogenated 1,1′-dimethyl-2,2′-bipyrroles (PDBPs) are halogenated natural products (HNPs) previously shown to bioaccumulate in marine mammals and birds. Since their discovery in 1999, six hexahalogenated and a few lesser halogenated congeners have been identified in diverse marine mammal samples. Here we report the identification of 17 additional hexahalogenated PDBPs in the blubber extract of a humpback dolphin (Sousa chinensis) from Queensland, Australia. Thirteen of these new PDBPs were also detected in an Australian sea cucumber (Holothuria sp.). Additional samples were also tested positive on several new PDBPs, including an Australian venus tuskfish (Choerodon venustus) as well as a white whale (Delphinapterus leucas) and a sperm whale (Physeter macrocephalus) from the Northern Hemisphere. GC/ECNI-MS-SIM quantification of the molecular ions was carried out with the help of synthesized standards. The sum concentration of PDBPs was 1.1 mg/kg lipid in the humpback dolphin and 0.48 mg/kg lipid in the sea cucumber. -- Highlights: •Polyhalogenated 1,1′-dimethyl-2,2′-bipyrroles (PDBPs) are natural products. •17 New hexahalogenated PDBPs were identified in marine biota from Australia. •A humpback dolphin (Sousa chinensis) contained 1.1 mg/kg lipid PDBPs. •New PDBPs were also detected in marine mammals from the Northern Hemisphere. -- Detection of new polyhalogenated 1,1′-dimethyl-2,2′-bipyrroles indicates a higher toxic risk of these halogenated natural products in the marine environment than previously known

  10. Modeling and stabilities of Mg/MgH2 interfaces: A first-principles investigation

    Directory of Open Access Journals (Sweden)

    Jia-Jun Tang

    2014-07-01

    Full Text Available We have theoretically investigated the modeling and the structural stabilities of various Mg/MgH2 interfaces, i.e. Mg(101¯0/MgH2(210, Mg(0001/MgH2(101 and Mg(101¯0/MgH2(101, and provided illuminating insights into Mg/MgH2 interface. Specifically, the main factors, which impact the interfacial energies, are fully considered, including surface energies of two phases, mutual lattice constants of interface model, and relative position of two phases. The surface energies of Mg and MgH2, on the one hand, are found to be greatly impacting the interfacial energies, reflected by the lowest interfacial energy of Mg(0001/MgH2(101 which is comprised of two lowest energy surfaces. On the other hand, it is demonstrated that the mutual lattice constants and the relative position of two phases lead to variations of interfacial energies, thus influencing the interface stabilities dramatically. Moreover, the Mg-H bonding at interface is found to be the determinant of Mg/MgH2 interface stability. Lastly, interfacial and strain effects on defect formations are also studied, both of which are highly facilitating the defect formations. Our results provide a detailed insight into Mg/MgH2 interface structures and the corresponding stabilities.

  11. Preclinical evaluation of "1"1"1In-DOTA-Bombesin analogue for peptide receptor targeted imaging

    International Nuclear Information System (INIS)

    Salgueiro, C.; Castiglia, S.G. de; Tesan, F.; Salgueiro, M.J.

    2017-01-01

    Peptide receptors are very important targets for imaging and therapy. The bombesin family is becoming significant, in special the gastrine-releasing peptide receptor (GRPr) that has been found in Prostate and Breast tumors. The aim of this work is to label [DOTA-Pro1,Tyr4] BN with "1"1"1InCl3 and study its efficacy in normal and tumor animals. Radiolabeling experiences were made to find the best peptide : radionuclide relationship. The radiochemical purity was determined by Sep-pak C18 cartridge (Waters) and ITLC-SG using 50mM EDTA in 0.1M ammonium acetate (pH 5.5) and 3.5%(v/v) ammonia/methanol 1:1. Gamma imaging studies were made 24 hs after injection of the product in control rats. On the other hand gamma imaging studies were made at 24 hs in tumor bearing nude mice too. The tumor was induced by subcutaneous injection of PC3 cells. For biodistribution studies animals were sacrificed and blood, pancreas, intestine, kidneys, liver, lungs, femoral muscle and tumor were analyzed. The results were expressed as %ID/g of tissue. Radiolabeling experiments allowed us to obtain an stable product with >95% of radiochemical purity and 5.78MBq/nmol of specific activity, with a ratio of 13μg peptide per In-111 mCi. The normal and tumor animals imaging show physiological uptake in kidneys and a biodistribution according to bibliography. A specific uptake is evidenced in tumor. Our results show a radiochemical stable compound for 48 hs and suitable for GRPr imaging. (authors) [es

  12. Clinical trial: lansoprazole 15 or 30 mg once daily vs. placebo for treatment of frequent nighttime heartburn in self-treating subjects.

    Science.gov (United States)

    Peura, D A; Riff, D S; Snoddy, A M; Fennerty, M B

    2009-09-01

    Frequent nighttime heartburn is common. Lansoprazole 15 mg is indicated for treatment of heartburn and other gastro-oesophageal reflux disease-related symptoms. To evaluate the efficacy and safety of lansoprazole in self-treating subjects with frequent nocturnal heartburn. A total of 864 subjects with heartburn on >or=2 days/week over the past month were randomized to double-blind treatment with lansoprazole 15 or 30 mg or placebo each morning. Endpoints were percentage of night times without heartburn (primary), percentage of 24-h days without heartburn and percentage of subjects without heartburn on day 1. Mean percentage of night times without heartburn was significantly greater with lansoprazole 15 mg (61.3%) or lansoprazole 30 mg (61.7%) vs. placebo (47.8%) over 14 days (P heartburn and percentage of subjects without heartburn on day 1 were significantly greater with lansoprazole 15 or 30 mg vs. placebo. Both lansoprazole 15 and 30 mg were highly effective and well tolerated in reducing symptoms in subjects with frequent nighttime heartburn. The benefit of therapy on 24-h heartburn and nighttime heartburn on day 1 of treatment was also evident. Lansoprazole 15 mg is a suitable choice for management of frequent nighttime heartburn.

  13. Silicene on Ag(1 1 1): Geometric and electronic structures of a new honeycomb material of Si

    Science.gov (United States)

    Takagi, Noriaki; Lin, Chun-Liang; Kawahara, Kazuaki; Minamitani, Emi; Tsukahara, Noriyuki; Kawai, Maki; Arafune, Ryuichi

    2015-02-01

    Silicene, a two-dimensional honeycomb sheet consisting of Si atoms, has attracted much attention as a new low-dimensional material because it gains various fascinating characteristics originating from the combination of Dirac fermion features with spin-orbit coupling. The novel properties such as the quantum spin Hall effect and the compatibility with the current Si device technologies have fueled competition to realize the silicene. This review article focuses on the geometric and electronic structures of silicene grown on Ag(1 1 1) investigated by scanning tunneling microcopy (STM), low energy electron diffraction (LEED) and density functional theory (DFT) calculations. The silicene on Ag(1 1 1) takes locally-buckled structure in which the Si atoms are displaced perpendicularly to the basal plane. As a result, several superstructures such as 4 × 4,√{ 13 } ×√{ 13 } R 13.9 °, 4 /√{ 3 } × 4 /√{ 3 } , and etc. emerge. The atomic arrangement of the 4 × 4 silicene has been determined by STM, DFT calculations and LEED dynamical analysis, while the other superstructures remain to be fully-resolved. In the 4 × 4 silicene, Si atoms are arranged to form a buckled honeycomb structure where six Si atoms of 18 Si atoms in the unit cell are displaced vertically. The displacements lead to the vertical shift of the substrate Ag atoms, indicating the non-negligible coupling at the interface between the silicene layer and the substrate. The interface coupling significantly modifies the electronic structure of the 4 × 4 silicene. No Landau level sequences were observed by scanning tunneling spectroscopy (STS) with magnetic fields applied perpendicularly to the sample surface. The DFT calculations showed that the π and π∗ bands derived from the Si 3pz are hybridized with the Ag electronic states, leading to the drastic modification in the band structure and then the absence of Dirac fermion features together with the two-dimensionality in the electronic states

  14. C1,1 regularity for degenerate elliptic obstacle problems

    Science.gov (United States)

    Daskalopoulos, Panagiota; Feehan, Paul M. N.

    2016-03-01

    The Heston stochastic volatility process is a degenerate diffusion process where the degeneracy in the diffusion coefficient is proportional to the square root of the distance to the boundary of the half-plane. The generator of this process with killing, called the elliptic Heston operator, is a second-order, degenerate-elliptic partial differential operator, where the degeneracy in the operator symbol is proportional to the distance to the boundary of the half-plane. In mathematical finance, solutions to the obstacle problem for the elliptic Heston operator correspond to value functions for perpetual American-style options on the underlying asset. With the aid of weighted Sobolev spaces and weighted Hölder spaces, we establish the optimal C 1 , 1 regularity (up to the boundary of the half-plane) for solutions to obstacle problems for the elliptic Heston operator when the obstacle functions are sufficiently smooth.

  15. Aspects of noncommutative (1+1)-dimensional black holes

    International Nuclear Information System (INIS)

    Mureika, Jonas R.; Nicolini, Piero

    2011-01-01

    We present a comprehensive analysis of the spacetime structure and thermodynamics of (1+1)-dimensional black holes in a noncommutative framework. It is shown that a wider variety of solutions are possible than the commutative case considered previously in the literature. As expected, the introduction of a minimal length √(θ) cures singularity pathologies that plague the standard two-dimensional general relativistic case, where the latter solution is recovered at large length scales. Depending on the choice of input parameters (black hole mass M, cosmological constant Λ, etc.), black hole solutions with zero, up to six, horizons are possible. The associated thermodynamics allows for the either complete evaporation, or the production of black hole remnants.

  16. Oxygen ordering in Nb(1 1 0) films

    International Nuclear Information System (INIS)

    Hellwig, O.; Zabel, H.

    2003-01-01

    Synchrotron X-ray diffraction (XRD) during the atmospheric oxidation of epitaxial Nb(1 1 0) films at elevated temperature reveals the formation of highly ordered oxygen phases within the Nb lattice. The oxygen is stored on interstitial lattice sites without destroying the basic BCC structure of the Nb host lattice. However the lattice exhibits an out-of-plane lattice expansion of up to 4.3%. During oxidation we observe the formation of a non-ordered lattice gas phase succeeded by a well-defined sequence of oxygen superstructures until finally the whole film is consumed by the formation of amorphous Nb 2 O 5 . We show that XRD is an excellent tool to monitor the exact evolution of the different oxygen phases. In addition we demonstrate that UHV post-annealing of partially oxidized films can be used to rearrange the oxygen within the sample while keeping the overall amount of oxygen constant

  17. Heavy fermion stabilization of solitons in 1+1 dimensions

    International Nuclear Information System (INIS)

    Farhi, E.; Graham, N.; Jaffe, R.L.; Weigel, H.

    2000-01-01

    We find static solitons stabilized by quantum corrections in a (1+1) -dimensional model with a scalar field chirally coupled to fermions. This model does not support classical solitons. We compute the renormalized energy functional including one-loop quantum corrections. We carry out a variational search for a configuration that minimizes the energy functional. We find a nontrivial configuration with fermion number whose energy is lower than the same number of free fermions quantized about the translationally invariant vacuum. In order to compute the quantum corrections for a given background field we use a phase-shift parameterization of the Casimir energy. We identify orders of the Born series for the phase shift with perturbative Feynman diagrams in order to renormalize the Casimir energy using perturbatively determined counterterms. Generalizing dimensional regularization, we demonstrate that this procedure yields a finite and unambiguous energy functional

  18. STM contrast inversion of the Fe(1 1 0) surface

    Energy Technology Data Exchange (ETDEWEB)

    Mándi, Gábor [Budapest University of Technology and Economics, Department of Theoretical Physics, Budafoki út 8, H-1111 Budapest (Hungary); Palotás, Krisztián, E-mail: palotas@phy.bme.hu [Budapest University of Technology and Economics, Department of Theoretical Physics, Budafoki út 8, H-1111 Budapest (Hungary); Condensed Matter Research Group of the Hungarian Academy of Sciences, Budafoki út 8, H-1111 Budapest (Hungary)

    2014-06-01

    We extend the orbital-dependent electron tunneling model implemented within the three-dimensional (3D) Wentzel–Kramers–Brillouin (WKB) atom-superposition approach to simulate spin-polarized scanning tunneling microscopy (SP-STM) above magnetic surfaces. The tunneling model is based on the electronic structure data of the magnetic tip and surface obtained from first principles. Applying our method, we analyze the orbital contributions to the tunneling current, and study the nature of atomic contrast reversals occurring on constant-current SP-STM images above the Fe(1 1 0) surface. We find an interplay of orbital-dependent tunneling and spin-polarization effects responsible for the contrast inversion, and we discuss its dependence on the bias voltage, on the tip-sample distance, and on the tip orbital composition.

  19. Mechanical properties, corrosion, and biocompatibility of Mg-Zr-Sr-Dy alloys for biodegradable implant applications.

    Science.gov (United States)

    Ding, Yunfei; Lin, Jixing; Wen, Cuie; Zhang, Dongmei; Li, Yuncang

    2017-11-28

    This study investigates the microstructure, mechanical properties, corrosion behavior, and biocompatibility of magnesium (Mg)-based Mg1Zr2SrxDy (x = 0, 1, 1.63, 2.08 wt %) alloys for biodegradable implant applications. The corrosion behavior of the Mg-based alloys has been evaluated in simulated body fluid using an electrochemical technique and hydrogen evolution. The biocompatibility of the Mg-based alloys has been assessed using SaSO2 cells. Results indicate that the addition of Dy to Mg-Zr-Sr alloy showed a positive impact on the corrosion behavior and significantly decreased the degradation rates of the alloys. The degradation rate of Mg1Zr2Sr1.0Dy decreased from 17.61 to 12.50 mm year -1 of Mg1Zr2Sr2.08Dy based on the hydrogen evolution. The ultimate compressive strength decreased from 270.90 MPa for Mg1Zr2Sr1Dy to 236.71 MPa for Mg1Zr2Sr2.08Dy. An increase in the addition of Dy to the Mg-based alloys resulted in an increase in the volume fraction of the Mg 2 Dy phase, which mitigated the galvanic effect between the Mg 17 Sr 2 phase and the Mg matrix, and led to an increase in the corrosion resistance of the base alloy. The biocompatibility of the Mg-based alloys was enhanced with decreasing corrosion rates. Mg1Zr2Sr2.08Dy exhibited the lowest corrosion rate and the highest biocompatibility compared with the other Mg-based alloys. © 2017 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 2017. © 2017 Wiley Periodicals, Inc.

  20. Stochastic motion of 7 x 7 kinks at monoatomic step edges on the Si(1 1 1) surface

    International Nuclear Information System (INIS)

    Fukuda, T.; Maeda, S.; Nakayama, H.

    2003-01-01

    An offset of a straight step, called a kink, is occasionally formed on semiconductor surfaces. The motion of the kink on the Si(1 1 1) 7x7 surface in the [1-bar 1-bar 2] step was studied in detail by high-temperature scanning tunneling microscopy (STM), and thermal fluctuations of the kink displacement along the step edges was observed. The kink displacement did not diverge with time, suggesting that a restoring force acts on the kink. The displacement, however, could be clearly represented by the gaussian distribution and it was therefore considered to be a Brownian particle. The temperature dependence of the mean square displacement of the kink position showed that the displacement is a thermal activation process with an apparent activation energy of 1.54±0.1 eV. From the equation of motion on the kink displacement including an incoming and outgoing flux as a fluctuation source, the phenomenological Langevin equation was derived. The activation energy of the kink displacement is related to the diffusion coefficient of the two-dimensional adatom gas and the latent heat of the atoms from the kink site to the surface adatom

  1. Matrix isolation infrared spectroscopic and theoretical study of 1,1,1-trifluoro-2-chloroethane (HCFC-133a)

    Science.gov (United States)

    Rodrigues, Gessenildo Pereira; Lucena, Juracy Régis; Ventura, Elizete; Andrade do Monte, Silmar; Reva, Igor; Fausto, Rui

    2013-11-01

    The molecular structure and infrared spectrum of the atmospheric pollutant 1,1,1-trifluoro-2-chloroethane (HCFC-133a; CF3CH2Cl) in the ground electronic state were characterized experimentally and theoretically. Excited state calculations (at the CASSCF, MR-CISD, and MR-CISD+Q levels) have also been performed in the range up to ˜9.8 eV. The theoretical calculations show the existence of one (staggered) conformer, which has been identified spectroscopically for the monomeric compound isolated in cryogenic (˜10 K) argon and xenon matrices. The observed infrared spectra of the matrix-isolated HCFC-133a were interpreted with the aid of MP2/aug-cc-pVTZ calculations and normal coordinate analysis, which allowed a detailed assignment of the observed spectra to be carried out, including identification of bands due to different isotopologues (35Cl and 37Cl containing molecules). The calculated energies of the several excited states along with the values of oscillator strengths and previous results obtained for CFCs and HCFCs suggest that the previously reported photolyses of the title compound at 147 and 123.6 nm [T. Ichimura, A. W. Kirk, and E. Tschuikow-Roux, J. Phys. Chem. 81, 1153 (1977)] are likely to be initiated in the n-4s and n-4p Rydberg states, respectively.

  2. Surface modifications and optical variations of (−1 1 1) lattice oriented CuO nanofilms for solar energy applications

    Energy Technology Data Exchange (ETDEWEB)

    Dhanasekaran, V., E-mail: v.j.dhanasekaran@gmail.com [Department of Physics, Alagappa University, Karaikudi 630003 (India); Mahalingam, T. [Department of Physics, School of Science and Humanities, Karunya University, Coimbatore 641114 (India)

    2013-09-01

    Graphical abstract: - Highlights: • The films are grown using a low cost SILAR method. • The pH value is found to play a significant role in the property of the resulting films. • The fabrication of band pass filters between 450 nm and 1000 nm is envisaged. • Electrical conductivity and optical band gap values were found to be 68.1 × 10{sup −3} Ω{sup −1} cm{sup −1} and 1.08 eV. • Coating may aid the small band of frequencies could pave way for enhancing the efficiency. - Abstract: This paper reports on the preparation and characterization of Successive Ionic Layer by Adsorption and Reaction (SILAR) grown CuO thin films. The films were deposited onto glass substrates at various solution pH values. The thickness of the film is increased with increase of solution pH values. X-ray diffraction analysis revealed that the prepared films exhibited the monoclinic structure with (−1 1 1) predominant orientation. The optimized pH value is 11 ± 0.1. The microstructure, morphology, optical and electrical properties are studied and reported. The transmission spectra (T) at normal incidence revealed that the films exhibit indirect transitions and may be tailored for passing selected bands of frequencies in visible near IR range. The activation energy is estimated to be about 0.29 eV.

  3. Surface modifications and optical variations of (−1 1 1) lattice oriented CuO nanofilms for solar energy applications

    International Nuclear Information System (INIS)

    Dhanasekaran, V.; Mahalingam, T.

    2013-01-01

    Graphical abstract: - Highlights: • The films are grown using a low cost SILAR method. • The pH value is found to play a significant role in the property of the resulting films. • The fabrication of band pass filters between 450 nm and 1000 nm is envisaged. • Electrical conductivity and optical band gap values were found to be 68.1 × 10 −3 Ω −1 cm −1 and 1.08 eV. • Coating may aid the small band of frequencies could pave way for enhancing the efficiency. - Abstract: This paper reports on the preparation and characterization of Successive Ionic Layer by Adsorption and Reaction (SILAR) grown CuO thin films. The films were deposited onto glass substrates at various solution pH values. The thickness of the film is increased with increase of solution pH values. X-ray diffraction analysis revealed that the prepared films exhibited the monoclinic structure with (−1 1 1) predominant orientation. The optimized pH value is 11 ± 0.1. The microstructure, morphology, optical and electrical properties are studied and reported. The transmission spectra (T) at normal incidence revealed that the films exhibit indirect transitions and may be tailored for passing selected bands of frequencies in visible near IR range. The activation energy is estimated to be about 0.29 eV

  4. Surface modification by vacuum annealing for field emission from heavily phosphorus-doped homoepitaxial (1 1 1) diamond

    International Nuclear Information System (INIS)

    Yamada, Takatoshi; Nebel, Christoph E.; Somu, Kumaragurubaran; Shikata, Shin-ichi

    2008-01-01

    The relationship between field emission properties and C 1s core level shifts of heavily phosphorus-doped homoepitaxial (1 1 1) diamond is investigated as a function of annealing temperature in order to optimize surface carbon bonding configurations for device applications. A low field emission threshold voltage is observed from surfaces annealed at 800 deg. C for hydrogen-plasma treated surface, while a low field emission threshold voltage of wet-chemical oxidized surface is observed after annealing at 900 deg. C. The C 1s core level by X-ray photoelectron spectroscopy (XPS) showed a shoulder peak at 1 eV below the main peak over 800 and 900 deg. C annealing temperature for hydrogen-plasma treated and wet-chemical oxidized surfaces, respectively. When the shoulder peak intensity is less than 10% of the main peak intensity, lower threshold voltages are observed. This is due to the carbon-reconstruction which gives rise to a small positive electron affinity. By increasing annealing temperature, the shoulder peak ratios also increase, which indicates that a surface graphitization takes place. This leads to higher threshold voltages

  5. Molecular dimensions of dried glucose oxidase on a Au(1 1 1) surface studied by dynamic mode scanning force microscopy

    International Nuclear Information System (INIS)

    Otsuka, Ichiro; Yaoita, Masashi; Nagashima, Seiichi; Higano, Michi

    2005-01-01

    We have investigated the molecular dimensions of a dried single glucose oxidase (GO) molecule adsorbed on a Au(1 1 1) surface with the UHV non-contact atomic force microscopy (NC-AFM) and tapping mode atomic force microcopy (TMAFM). The smallest air-dried GO particles in a TMAFM-measured size distribution are found to be 10-11 nm wide and 0.3-0.4 nm high. We find each collapsed ellipsoidal feature with a groove in a NC-AFM image, which measured 12 nm x 10 nm x 0.5 nm. The lateral dimensions (12 nm x 10 nm) of the observed feature is close to those of a GO monomer measured by scanning tunneling microscopy (STM) [Quijin et al., 12.2 nm x 8.9 nm as the size of one wing of an opening butterfly (dimer) appeared in a STM image] and by contact mode AFM [Quinto et al., 14 nm x 8 nm]. Our value of the vertical dimension (0.5 nm) is consistent with AFM results and molecular dynamics simulations that suggest a surface-induced complete unfolding, showing the average diameter of amino acid residues

  6. Microscopic structure of liquid 1-1-1-2-tetrafluoroethane (R134a) from Monte Carlo simulation.

    Science.gov (United States)

    Do, Hainam; Wheatley, Richard J; Hirst, Jonathan D

    2010-10-28

    1-1-1-2-tetrafluoroethane (R134a) is one of the most commonly used refrigerants. Its thermophysical properties are important for evaluating the performance of refrigeration cycles. These can be obtained via computer simulation, with an insight into the microscopic structure of the liquid, which is not accessible to experiment. In this paper, vapour-liquid equilibrium properties of R134a and its liquid microscopic structure are investigated using coupled-decoupled configurational-bias Monte Carlo simulation in the Gibbs ensemble, with a recent potential [J. Phys. Chem. B 2009, 113, 178]. We find that the simulations agree well with the experimental data, except at the vicinity of the critical region. Liquid R134a packs like liquid argon, with a coordination number in the first solvation shell of 12 at 260 K. The nearest neighbours prefer to be localized in three different spaces around the central molecule, in such a manner that the dipole moments are in a parallel alignment. Analysis of the pair interaction energy shows clear association of R134a molecules, but no evidence for C-HF type hydrogen bonding is found. The above findings should be of relevance to a broad range of fluoroalkanes.

  7. A Highly Ordered Magnetic Field in a Crushed Pulsar Wind Nebula in G327.1-1.1

    Science.gov (United States)

    Ma, Yik Ki; Ng, Chi-Yung; Bucciantini, Niccolò; Gaensler, Bryan M.; Slane, Patrick O.; Temim, Tea

    2015-01-01

    A significant fraction of a pulsar's spin-down luminosity is in the form of a relativistic magnetized particle outflow known as a pulsar wind. Confinement of the wind by the ambient medium creates a synchrotron-emitting bubble called a pulsar wind nebula (PWN). Studies of PWNe is important for understanding the physics of relativistic shocks and particle acceleration. Simulations suggest that a PWN will be crushed by the reverse shock of its surrounding supernova remnant at an age of ~10^4 yr, resulting in a turbulent environment. However, given the short timescale of the interaction stage, only a few such systems are observed.We present radio polarization observations of the PWN in supernova remnant G327.1-1.1, taken with the Australia Telescope Compact Array. Previous works suggest that this system has recently interacted with the supernova reverse shock, providing a rare example for the study of magnetic field in a crushed PWN. We found a highly ordered magnetic field in the PWN, which is unexpected given the presumed turbulent interior of the nebula. This suggests that the magnetic pressure in the PWN could play an important role in the interaction with supernova reverse shock.The Australia Telescope Compact Array is part of the Australia Telescope National Facility which is funded by the Commonwealth of Australia for operation as a National Facility managed by CSIRO.YKM and CYN are supported by a ECS grant of the Hong Kong Government under HKU 709713P

  8. Individual Low-Energy Toroidal Dipole State in Mg 24

    Science.gov (United States)

    Nesterenko, V. O.; Repko, A.; Kvasil, J.; Reinhard, P.-G.

    2018-05-01

    The low-energy dipole excitations in Mg 24 are investigated within the Skyrme quasiparticle random phase approximation for axial nuclei. The calculations with the force SLy6 reveal a remarkable feature: the lowest IπK =1-1 excitation (E =7.92 MeV ) in Mg 24 is a vortical toroidal state (TS) representing a specific vortex-antivortex realization of the well-known spherical Hill's vortex in a strongly deformed axial confinement. This is a striking example of an individual TS which can be much more easily discriminated in experiment than the toroidal dipole resonance embracing many states. The TS acquires the lowest energy due to the huge prolate axial deformation in Mg 24 . The result persists for different Skyrme parametrizations (SLy6, SVbas, SkM*). We analyze spectroscopic properties of the TS and its relation with the cluster structure of Mg 24 . Similar TSs could exist in other highly prolate light nuclei. They could serve as promising tests for various reactions to probe a vortical (toroidal) nuclear flow.

  9. Insulator layer formation in MgB2 SIS junctions

    International Nuclear Information System (INIS)

    Shimakage, H.; Tsujimoto, K.; Wang, Z.; Tonouchi, M.

    2005-01-01

    The dependence of current-voltage characteristics on thin film deposition conditions was investigated using MgB 2 /AlN/NbN SIS junctions. By increasing the substrate temperature in AlN insulator deposition, the current density decreased and the normal resistance increased. The results indicated that an additional insulator layer between the MgB 2 and AlN formed, either before or during the AlN deposition. The thickness of the additional insulator layer was increased with an increase in the AlN deposition temperature. From the dependence of current density on the thickness of AlN in low temperature depositions, the thickness of the additional insulator layer was estimated to be 1-1.5 nm when the AlN insulator was deposited from 0.14 to 0.7 nm. Moreover, with the current density of MgB 2 /AlN/MgB 2 SIS junctions, further insulator layer formation was confirmed

  10. Application of 1-hydroxyethylidene-1, 1-diphosphonic acid in boiler water for industrial boilers.

    Science.gov (United States)

    Zeng, Bin; Li, Mao-Dong; Zhu, Zhi-Ping; Zhao, Jun-Ming; Zhang, Hui

    2013-01-01

    The primary method used for boiler water treatment is the addition of chemicals to industrial boilers to prevent corrosion and scaling. The static scale inhibition method was used to evaluate the scale inhibition performance of 1-hydroxyethylidene-1, 1-diphosphonic acid (HEDP). Autoclave static experiments were used to study the corrosion inhibition properties of the main material for industrial boilers (20# carbon steel) with an HEDP additive in the industrial boiler water medium. The electrochemical behavior of HEDP on carbon steel corrosion control was investigated using electrochemical impedance spectroscopy and Tafel polarization techniques. Experimental results indicate that HEDP can have a good scale inhibition effect when added at a quantity of 5 to 7 mg/L at a test temperature of not more than 100 °C. To achieve a high scale inhibition rate, the HEDP dosage must be increased when the test temperature exceeds 100 °C. Electrochemical and autoclave static experimental results suggest that HEDP has a good corrosion inhibition effect on 20# carbon steel at a concentration of 25 mg/L. HEDP is an excellent water treatment agent.

  11. Assessment of a gel-type chelating preparation containing 1-hydroxyethylidene-1, 1-bisphosphonate.

    Science.gov (United States)

    Girard, S; Paqué, F; Badertscher, M; Sener, B; Zehnder, M

    2005-11-01

    To test an aqueous gel containing 1-hydroxyethylidene-1, 1-bisphosphonate (HEBP) regarding its interactions with sodium hypochlorite, its calcium binding capacity, and its potential in preventing the formation of a smear layer when used in conjunction with rotary root canal preparation. The experimental aqueous gel consisted of (w/v) 2% alginate, 3% aerosil, 10% Tween 80 and 18% HEBP. Interactions of gel components with hypochlorite were assessed using iodometric titration and monochromatic ultraviolet spectrometry. Two commercial paste-type chelators containing ethylenediaminetetraacetic acid (EDTA) and peroxide (RC-Prep and Glyde) served as controls. Calcium-binding capacities were measured in mixtures with a Ca2+ standard solution buffered at pH 10 using a calcium-selective measuring chain. Finally, root canals of 16 extracted single-rooted premolars per group were instrumented using ProFile instruments dipped in the experimental gel, RC-Prep, or nothing. Additionally, canals were rinsed with 10 mL of a 1% NaOCl solution during/after preparation. Smear scores in instrumented teeth were monitored using scanning electron microscopy. None of the experimental gel components showed short-term interactions with hypochlorite, whilst EDTA, peroxide, RC-Prep and Glyde immediately reduced the hypochlorite in solution. The experimental gel chelated 30 mg Ca2+ g-1, compared with 16 mg Ca2+ g-1 and 11 mg Ca2+ g-1 chelated by RC-Prep and Glyde respectively. Smear scores obtained with the experimental gel were significantly (P<0.05) lower than with RC-Prep in coronal and middle root thirds, whilst no differences were observed in apical root thirds. Under the conditions of this study, an HEBP gel appeared advantageous over currently available products.

  12. Transformation of Mg-bearing amorphous calcium carbonate to Mg-calcite - In situ monitoring

    Science.gov (United States)

    Purgstaller, Bettina; Mavromatis, Vasileios; Immenhauser, Adrian; Dietzel, Martin

    2016-02-01

    The formation of Mg-bearing calcite via an amorphous precursor is a poorly understood process that is of relevance for biogenic and abiogenic carbonate precipitation. In order to gain an improved insight on the controls of Mg incorporation in calcite formed via an Mg-rich amorphous calcium carbonate (Mg-ACC) precursor, the precipitation of Mg-ACC and its transformation to Mg-calcite was monitored by in situ Raman spectroscopy. The experiments were performed at 25.0 ± 0.03 °C and pH 8.3 ± 0.1 and revealed two distinct pathways of Mg-calcite formation: (i) At initial aqueous Mg/Ca molar ratios ⩽ 1:6, Mg-calcite formation occurs via direct precipitation from solution. (ii) Conversely, at higher initial Mg/Ca molar ratios, Mg-calcite forms via an intermediate Mg-rich ACC phase. In the latter case, the final product is a calcite with up to 20 mol% Mg. This Mg content is significant higher than that of the Mg-rich ACC precursor phase. Thus, a strong net uptake of Mg ions from the solution into the crystalline precipitate throughout and also subsequent to ACC transformation is postulated. Moreover, the temporal evolution of the geochemical composition of the reactive solution and the Mg-ACC has no significant effect on the obtained ;solubility product; of Mg-ACC. The enrichment of Mg in calcite throughout and subsequent to Mg-ACC transformation is likely affected by the high aqueous Mg/Ca ratio and carbonate alkalinity concentrations in the reactive solution. The experimental results have a bearing on the formation mechanism of Mg-rich calcites in marine early diagenetic environments, where high carbonate alkalinity concentrations are the rule rather than the exception, and on the insufficiently investigated inorganic component of biomineralisation pathways in many calcite secreting organisms.

  13. 1,1′-Binaphthyl-2,2′-dicarboxylic acid–urea (1/1

    Directory of Open Access Journals (Sweden)

    Edwin Weber

    2008-10-01

    Full Text Available In the title co-crystal, C22H14O4·CH4N2O, the 1,1′-binaphthyl-2,2′-dicarboxylic acid (BNDA and urea molecules are connected via a system of hydrogen bonds into a chiral two-dimensional polymeric structure parallel to the (001 plane. As the crystal is centrosymmetric, it consists of alternately stacked BNDA–urea layers of opposite chirality. The urea H atoms trans to the C=O group are bonded in a chelating mode [R12(6] to the carbonyl O atom from one of the carboxylic acid groups which, in turn, acts as the donor of an O—H...O hydrogen bond to another urea molecule. The [010] chains thus formed are further connected via an R22(8 hydrogen-bond motif formed between urea and the second carboxylic acid group of BNDA.

  14. Concentrations of moxifloxacin in serum and pulmonary compartments following a single 400 mg oral dose in patients undergoing fibre-optic bronchoscopy.

    Science.gov (United States)

    Soman, A; Honeybourne, D; Andrews, J; Jevons, G; Wise, R

    1999-12-01

    The concentrations of moxifloxacin achieved after a single 400 mg dose were measured in serum, epithelial lining fluid (ELF), alveolar macrophages (AM) and bronchial mucosa (BM). Concentrations were determined using a microbiological assay. Nineteen patients undergoing fibre-optic bronchoscopy were studied. Mean serum, ELF, AM and BM concentrations at 2.2, 12 and 24 h were as follows: 2.2 h: 3.2 mg/L, 20.7 mg/L, 56.7 mg/L, 5.4 mg/kg; 12 h: 1.1 mg/L, 5.9 mg/L, 54.1 mg/L, 2.0 mg/kg; 24 h: 0.5 mg/L, 3.6 mg/L, 35.9 mg/L, 1.1 mg/kg, respectively. These concentrations exceed the MIC(90)s for common respiratory pathogens such as Streptococcus pneumoniae (0.25 mg/L), Haemophilus influenzae (0.03 mg/L), Moraxella catarrhalis (0.12 mg/L), Chlamydia pneumoniae (0.12 mg/L) and Mycoplasma pneumoniae (0. 12 mg/L) and indicate that moxifloxacin should be effective in the treatment of community-acquired, lower respiratory tract infections.

  15. Conformational analysis and global warming potentials of 1,1,1,3,3,3-hexafluoro-2-propanol from absorption spectroscopy

    Science.gov (United States)

    Godin, Paul J.; Le Bris, Karine; Strong, Kimberly

    2017-12-01

    Absorption cross-sections of 1,1,1,3,3,3-hexafluoro-2-propanol (HFIP) were derived from Fourier transform infrared spectra recorded from 530 to 3400 cm-1 with a resolution of 0.1 cm-1 over a temperature range of 300-362 K. These results were compared to previously published experimental measurements made at room temperature and to a theoretical spectrum from density functional theory (DFT) calculations. Good agreement is found between the experimentally derived results, DFT calculations, and previously published data. The only temperature dependence observed was in the amplitude of some of the absorption peaks due to the changing ratio of the stable conformations of HFIP. This temperature dependence does not result in a significant trend in integrated band strength as a function of temperature. The average value for integrated band strength is found to be (2.649 ± 0.065)x10-16 cm molecule-1 for HFIP over the spectral range of 595 to 3010 cm-1. Radiative efficiency (RE) and the global warming potential (GWP) for HFIP were also derived. A RE of 0.293 ± 0.059 Wm-2ppbv-1 is derived, which leads to a GWP100 of 188 in the range of 530 to 3000 cm-1. The DFT calculation is linearly adjusted to match the experimental spectrum. Using this adjusted DFT spectrum to expand the range below 530 to 0 cm-1 , increases the RE to 0.317 ± 0.063 Wm-2ppbv-1 and the GWP100 to 203.

  16. Nonclassical dynamics of the methyl group in 1,1,1-triphenylethane. Evidence from powder 1H NMR spectra

    KAUST Repository

    Osior, Agnieszka

    2017-03-14

    According to the damped quantum rotation (DQR) theory, hindered rotation of methyl groups, evidenced in nuclear magnetic resonance (NMR) line shapes, is a nonclassical process. It comprises a number of quantum-rate processes measured by two different quantum-rate constants. The classical jump model employing only one rate constant is reproduced if these quantum constants happen to be equal. The values of their ratio, or the nonclassicallity coefficient, determined hitherto from NMR spectra of single crystals and solutions range from about 1.20 to 1.30 in the latter case to above 5.0 in the former, with the value of 1 corresponding to the jump model. Presently, first systematic investigations of the DQR effects in wide-line NMR spectra of a powder sample are reported. For 1,1,1-triphenylethane deuterated in the aromatic positions, the relevant line-shape effects were monitored in the range 99–121 K. The values of the nonclassicality coefficient dropping from 2.7 to 1.7 were evaluated in line shape fits to the experimental powder spectra from the range 99–108 K. At these temperatures, the fits with the conventional line-shape model are visibly inferior to the DQR fits. Using a theoretical model reported earlier, a semiquantitative interpretation of the DQR parameters evaluated from the spectra is given. It is shown that the DQR effects as such can be detected in wide-line NMR spectra of powdered samples, which are relatively facile to measure. However, a fully quantitative picture of these effects can only be obtained from the much more demanding experiments on single crystals.

  17. Nanomechanical properties of GaSe thin films deposited on Si(1 1 1) substrates by pulsed laser deposition

    International Nuclear Information System (INIS)

    Jian, Sheng-Rui; Juang, Jenh-Yih; Luo, Chih-Wei; Ku, Shin-An; Wu, Kaung-Hsiung

    2012-01-01

    Highlights: ► GaSe thin films are grown by PLD. ► Structural properties of GaSe thin films are measured by XRD. ► Hardness and Young’s modulus of GaSe thin films are measured by nanoindentation. - Abstract: The correlations between the crystalline structure and mechanical properties of GaSe thin films were investigated by means of X-ray diffraction (XRD) and nanoindentation techniques. The GaSe thin films were deposited on Si(1 1 1) substrates deposited at various deposition temperatures using pulsed laser deposition (PLD). The XRD results indicate that all the GaSe thin films are pure hexagonal phase with highly (0 0 0 l)-oriented characteristics. Nanoindentation results revealed apparent discontinuities (so-called multiple “pop-in” events) in the load-displacement curve, while no discontinuity was observed in the unloading segment of the load-displacement curve. The hardness and Young’s modulus of GaSe thin films determined by the continuous stiffness measurements (CSM) method indicated that both mechanical parameters increased with the increasing deposition temperature with the hardness and the Young’s modulus being increased from 1.2 ± 0.1 to 1.8 ± 0.1 GPa and from 39.6 ± 1.2 to 68.9 ± 2.7 GPa, respectively, as the deposition temperature was raised from 400 to 475 °C. These results suggest that the increased grain size might have played a prominent role in determining the mechanical properties of the PLD-derived GaSe thin films.

  18. Discriminative stimulus effects of inhaled 1,1,1-trichloroethane in mice: comparison to other hydrocarbon vapors and volatile anesthetics.

    Science.gov (United States)

    Shelton, Keith L

    2009-04-01

    Because the toxicity of many inhalants precludes evaluation in humans, drug discrimination, an animal model of subjective effects, can be used to gain insights on their poorly understood abuse-related effects. The purpose of the present study was to train a prototypic inhalant that has known abuse liability, 1,1,1-trichloroethane (TCE), as a discriminative stimulus in mice, and compare it to other classes of inhalants. Eight B6SJLF1/J mice were trained to discriminate 10 min of exposure to 12,000 ppm inhaled TCE vapor from air and seven mice were trained to discriminate 4,000 ppm TCE from air. Tests were then conducted to characterize the discriminative stimulus of TCE and to compare it to representative aromatic and chlorinated hydrocarbon vapors, volatile halogenated anesthetics as well as an odorant compound. Only the 12,000 ppm TCE versus the air discrimination group exhibited sufficient discrimination accuracy for substitution testing. TCE vapor concentration- and exposure time-dependently substituted for the 12,000 ppm TCE vapor training stimulus. Full substitution was produced by trichloroethylene, toluene, enflurane, and sevoflurane. Varying degrees of partial substitution were produced by the other volatile test compounds. The odorant, 2-butanol, did not produce any substitution for TCE. The discriminative stimulus effects of TCE are shared fully or partially by chlorinated and aromatic hydrocarbons as well as by halogenated volatile anesthetics. However, these compounds can be differentiated from TCE both quantitatively and qualitatively. It appears that the degree of similarity is not solely a function of chemical classification but may also be dependent upon the neurochemical effects of the individual compounds.

  19. Growth of epitaxially oriented Ag nanoislands on air-oxidized Si(1 1 1)-(7 × 7) surfaces: Influence of short-range order on the substrate

    International Nuclear Information System (INIS)

    Roy, Anupam; Bhattacharjee, K.; Ghatak, J.; Dev, B.N.

    2012-01-01

    Clean Si(1 1 1)-(7 × 7) surfaces, followed by air-exposure, have been investigated by reflection high-energy electron diffraction (RHEED) and scanning tunneling microscopy (STM). Fourier transforms (FTs) of STM images show the presence of short-range (7 × 7) order on the air-oxidized surface. Comparison with FTs of STM images from a clean Si(1 1 1)-(7 × 7) surface shows that only the 1/7th order spots are present on the air-oxidized surface. The oxide layer is ∼2-3 nm thick, as revealed by cross-sectional transmission electron microscopy (XTEM). Growth of Ag islands on these air-oxidized Si(1 1 1)-(7 × 7) surfaces has been investigated by in situ RHEED and STM and ex situ XTEM and scanning electron microscopy. Ag deposition at room temperature leads to the growth of randomly oriented Ag islands while preferred orientation evolves when Ag is deposited at higher substrate temperatures. For deposition at 550 °C face centered cubic Ag nanoislands grow with a predominant epitaxial orientation [11 ¯ 0] Ag ||[11 ¯ 0] Si , (1 1 1) Ag || (1 1 1) Si along with its twin [1 ¯ 10] Ag ||[11 ¯ 0] Si , (1 1 1) Ag || (1 1 1) Si , as observed for epitaxial growth of Ag on Si(1 1 1) surfaces. The twins are thus rotated by a 180° rotation of the Ag unit cell about the Si[1 1 1] axis. It is intriguing that Ag nanoislands follow an epitaxial relationship with the Si(1 1 1) substrate in spite of the presence of a 2-3 nm thick oxide layer between Ag and Si. Apparently the short-range order on the oxide surface influences the crystallographic orientation of the Ag nanoislands.

  20. Separation of the 1+ /1- parity doublet in 20Ne

    Science.gov (United States)

    Beller, J.; Stumpf, C.; Scheck, M.; Pietralla, N.; Deleanu, D.; Filipescu, D. M.; Glodariu, T.; Haxton, W.; Idini, A.; Kelley, J. H.; Kwan, E.; Martinez-Pinedo, G.; Raut, R.; Romig, C.; Roth, R.; Rusev, G.; Savran, D.; Tonchev, A. P.; Tornow, W.; Wagner, J.; Weller, H. R.; Zamfir, N.-V.; Zweidinger, M.

    2015-02-01

    The (J , T) = (1 , 1) parity doublet in 20Ne at 11.26 MeV is a good candidate to study parity violation in nuclei. However, its energy splitting is known with insufficient accuracy for quantitative estimates of parity violating effects. To improve on this unsatisfactory situation, nuclear resonance fluorescence experiments using linearly and circularly polarized γ-ray beams were used to determine the energy difference of the parity doublet ΔE = E (1-) - E (1+) = - 3.2(± 0.7) stat(-1.2+0.6)sys keV and the ratio of their integrated cross sections Is,0(+) /Is,0(-) = 29(± 3) stat(-7+14)sys. Shell-model calculations predict a parity-violating matrix element having a value in the range 0.46-0.83 eV for the parity doublet. The small energy difference of the parity doublet makes 20Ne an excellent candidate to study parity violation in nuclear excitations.

  1. 2-Aminobenzoic acid–4-(pyridin-4-yldisulfanylpyridine (1/1

    Directory of Open Access Journals (Sweden)

    Hadi D. Arman

    2011-12-01

    Full Text Available The title 1:1 co-crystal, C7H7NO2·C10H8N2S2, features a highly twisted 4-(pyridin-4-yldisulfanylpyridine molecule [dihedral angle between the pyridine rings = 89.06 (10°]. A small twist is evident in the 2-aminobenzoic acid molecule, with the C—C—C—O torsion angle being −7.7 (3°. An N—H...O hydrogen bond occurs in the 2-aminobenzoic acid molecule. In the crystal, molecules are linked by O—H...N and N—H...N hydrogen bonds into a supramolecular chain along the b axis. These are connected into layers by π–π interactions occurring between pyridine rings [centroid–centroid distance = 3.8489 (15 Å]. The layers are connected along the a axis by C—H...O contacts. The crystal studied was a racemic twin.

  2. Deep repository. Underground design premises. Edition D1/1

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2004-09-01

    This report proposes design premises and methodology for application in the preliminary design of underground excavations within the framework of SKB's site investigations. The design premises and supporting instructions for rock mechanical and hydrogeological analyses are a result of planning work carried out between the autumn of 2002 and the spring of 2003. Other overall planning has also been done at the same time for the Deep Repository Project. The first draft underwent revision following a seminar on 30 June 2003 primarily with respect to structure and coordination aspects within the project, as well as certain factual questions. That version served as a basis for an application exercise based on site descriptive model version 1.1 Forsmark. The purpose of the application exercise was to: Test relevant portions of the proposed methodology for rock engineering for the initial site investigations (ISI); Evaluate the application of preliminary design requirements; Identify and develop proposals for collaboration between design and site and site modelling units for the best possible feedback in future work, especially iterations for meeting the needs of design; Identify and develop proposals for collaboration between safety assessment and design for realistic proposals for site adaptation. The design application exercise was evaluated at the end of 2003 and its results serve as an important basis for revisions. The update was commenced with a workshop in February 2004, where the goals were established.

  3. Deep repository. Underground design premises. Edition D1/1

    International Nuclear Information System (INIS)

    2004-09-01

    This report proposes design premises and methodology for application in the preliminary design of underground excavations within the framework of SKB's site investigations. The design premises and supporting instructions for rock mechanical and hydrogeological analyses are a result of planning work carried out between the autumn of 2002 and the spring of 2003. Other overall planning has also been done at the same time for the Deep Repository Project. The first draft underwent revision following a seminar on 30 June 2003 primarily with respect to structure and coordination aspects within the project, as well as certain factual questions. That version served as a basis for an application exercise based on site descriptive model version 1.1 Forsmark. The purpose of the application exercise was to: Test relevant portions of the proposed methodology for rock engineering for the initial site investigations (ISI); Evaluate the application of preliminary design requirements; Identify and develop proposals for collaboration between design and site and site modelling units for the best possible feedback in future work, especially iterations for meeting the needs of design; Identify and develop proposals for collaboration between safety assessment and design for realistic proposals for site adaptation. The design application exercise was evaluated at the end of 2003 and its results serve as an important basis for revisions. The update was commenced with a workshop in February 2004, where the goals were established

  4. General displaced SU(1, 1) number states: Revisited

    Energy Technology Data Exchange (ETDEWEB)

    Dehghani, A., E-mail: alireza.dehghani@gmail.com, E-mail: a-dehghani@tabrizu.ac.ir [Physics Department, Payame Noor University, P.O. Box 19395-3697 Tehran (Iran, Islamic Republic of)

    2014-04-15

    The most general displaced number states, based on the bosonic and an irreducible representation of the Lie algebra symmetry of su(1, 1) and associated with the Calogero-Sutherland model are introduced. Here, we utilize the Barut-Girardello displacement operator instead of the Klauder-Perelomov counterpart, to construct new kind of the displaced number states which can be classified in nonlinear coherent states regime, too, with special nonlinearity functions. They depend on two parameters, and can be converted into the well-known Barut-Girardello coherent and number states, respectively, depending on which of the parameters equal to zero. A discussion of the statistical properties of these states is included. Significant are their squeezing properties and anti-bunching effects which can be raised by increasing the energy quantum number. Depending on the particular choice of the parameters of the above scenario, we are able to determine the status of compliance with flexible statistics. Major parts of the issue is spent on something that these states, in fact, should be considered as new kind of photon-added coherent states, too. Which can be reproduced through an iterated action of a creation operator on new nonlinear Barut-Girardello coherent states. Where the latter carry, also, outstanding statistical features.

  5. Re-examining the 26Mg(α ,α')26Mg reaction: Probing astrophysically important states in 26Mg

    Science.gov (United States)

    Adsley, P.; Brümmer, J. W.; Li, K. C. W.; Marín-Lámbarri, D. J.; Kheswa, N. Y.; Donaldson, L. M.; Neveling, R.; Papka, P.; Pellegri, L.; Pesudo, V.; Pool, L. C.; Smit, F. D.; van Zyl, J. J.

    2017-11-01

    Background: The 22Ne(α ,n )25Mg reaction is one of the neutron sources for the s process in massive stars. The properties of levels in 26Mg above the α -particle threshold control the strengths of the 22Ne(α ,n )25Mg and 22Ne(α ,γ )26Mg reactions. The strengths of these reactions as functions of temperature are one of the major uncertainties in the s process. Purpose: Information on the existence, spin, and parity of levels in 26Mg can assist in constraining the strengths of the 22Ne(α ,γ )26Mg and 22Ne(α ,n )25Mg reactions, and therefore in constraining s -process abundances. Methods: Inelastically scattered α particles from a 26Mg target were momentum-analyzed in the K600 magnetic spectrometer at iThemba LABS, South Africa. The differential cross sections of states were deduced from the focal-plane trajectory of the scattered α particles. Based on the differential cross sections, spin and parity assignments to states are made. Results: A newly assigned 0+ state was observed in addition to a number of other states, some of which can be associated with states observed in other experiments. Some of the deduced Jπ values of the states observed in the present study show discrepancies with those assigned in a similar experiment performed at RCNP Osaka. The reassignments and additions of the various states can strongly affect the reaction rate at low temperatures. Conclusion: The number, location, and assignment of levels in 26Mg that may contribute to the 22Ne+α reactions are not clear. Future experimental investigations of 26Mg must have an extremely good energy resolution to separate the contributions from different levels. Coincidence experiments of 26Mg provide a possible route for future investigations.

  6. Antibacterial biodegradable Mg-Ag alloys

    Directory of Open Access Journals (Sweden)

    D Tie

    2013-06-01

    Full Text Available The use of magnesium alloys as degradable metals for biomedical applications is a topic of ongoing research and the demand for multifunctional materials is increasing. Hence, binary Mg-Ag alloys were designed as implant materials to combine the favourable properties of magnesium with the well-known antibacterial property of silver. In this study, three Mg-Ag alloys, Mg2Ag, Mg4Ag and Mg6Ag that contain 1.87 %, 3.82 % and 6.00 % silver by weight, respectively, were cast and processed with solution (T4 and aging (T6 heat treatment.The metallurgical analysis and phase identification showed that all alloys contained Mg4Ag as the dominant β phase. After heat treatment, the mechanical properties of all Mg-Ag alloys were significantly improved and the corrosion rate was also significantly reduced, due to presence of silver. Mg(OH2 and MgO present the main magnesium corrosion products, while AgCl was found as the corresponding primary silver corrosion product. Immersion tests, under cell culture conditions, demonstrated that the silver content did not significantly shift the pH and magnesium ion release. In vitro tests, with both primary osteoblasts and cell lines (MG63, RAW 264.7, revealed that Mg-Ag alloys show negligible cytotoxicity and sound cytocompatibility. Antibacterial assays, performed in a dynamic bioreactor system, proved that the alloys reduce the viability of two common pathogenic bacteria, Staphylococcus aureus (DSMZ 20231 and Staphylococcus epidermidis (DSMZ 3269, and the results showed that the killing rate of the alloys against tested bacteria exceeded 90%. In summary, biodegradable Mg-Ag alloys are cytocompatible materials with adjustable mechanical and corrosion properties and show promising antibacterial activity, which indicates their potential as antibacterial biodegradable implant materials.

  7. Air permeability of the artificially synthesized Zn-Al-Mg alloy rusts

    International Nuclear Information System (INIS)

    Ishikawa, Tatsuo; Ueda, Masato; Kandori, Kazuhiko; Nakayama, Takenori

    2007-01-01

    The rust particles of Zn-Al-Mg alloys were synthesized from aqueous solutions dissolving ZnCl 2 , AlCl 3 , and MgCl 2 at different atomic ratios of the metal ions. The crystal phase and particle morphology of the products depended on the composition of the starting solutions. The compactness of the layers of the products was estimated by measuring their air permeability. The layer of mixed metal hydroxide chloride formed at Zn:Al:Mg = 1:1:1 showed a highest compactness, that was ascribed to the preferred orientation of the fine plate particles. The addition of Mg(II) made plate particles smaller to give more compact layers

  8. MISTRAL V1.1.1: assessing doses from atmospheric releases in normal and off-normal conditions

    International Nuclear Information System (INIS)

    David Kerouanton; Patrick Devin; Malvina Rennesson

    2006-01-01

    Protecting the environment and the public from radioactive and chemical hazards has always been a top priority for all companies operating in the nuclear domain. In this scope, SGN provides all the services the nuclear industry needs in environmental studies especially in relation to the impact assessment in normal operating conditions and risk assessment in off-normal conditions. In order to quantify dose impact on members of the public due to atmospheric releases, COGEMA and SGN developed MISTRAL V1.1.1 code. Dose impact depends strongly on dispersion of radionuclides in atmosphere. The main parameters involved in dispersion characterization are wind velocity and direction, rain, diffusion conditions, coordinates of the point of observation and stack elevation. MISTRAL code implements DOURY and PASQUILL Gaussian plume models which are widely used in the scientific community. These models, applicable for distances of transfer ranging from 100 m up to 30 km, are used to calculate atmospheric concentration and deposit at different distances from the point of release. MISTRAL allows the use of different dose regulations or dose coefficient databases such as: - ICRP30 and ICPR71 for internal doses (inhalation, ingestion) - Despres/Kocher database or US-EPA Federal Guidance no.12 (ICPR72 for noble gases) for external exposure (from plume or ground). The initial instant of the release can be considered as the origin of time or a date format can be specified (could be useful in a crisis context). While the context is specified, the user define the meteorological conditions of the release. In normal operating mode (routine releases), the user gives the annual meteorological scheme. The data can be recorded in the MISTRAL meteorological database. In off-normal conditions mode, MISTRAL V1.1 allows the use of successive release stages for which the user gives the duration, the meteorological conditions, that is to say stability class, wind speed and direction and rainfall

  9. Intra-individual comparison of different contrast media concentrations (300 mg, 370 mg and 400 mg iodine) in MDCT

    Energy Technology Data Exchange (ETDEWEB)

    Behrendt, Florian F.; Keil, Sebastian; Plumhans, Cedric; Guenther, Rolf W. [RWTH Aachen University, Department of Diagnostic Radiology, University Hospital, Aachen (Germany); Pietsch, Hubertus; Jost, Gregor; Sieber, Martin A.; Seidensticker, Peter [Bayer Schering Pharma AG, Berlin (Germany); Mahnken, Andreas H. [RWTH Aachen University, Department of Diagnostic Radiology, University Hospital, Aachen (Germany); RWTH Aachen University, Applied Medical Engineering, Helmholtz-Institute for Biomedical Engineering, Aachen (Germany)

    2010-07-15

    To compare intra-individual contrast enhancement in multi-detector-row computed tomography (MDCT) using contrast media (CM) containing 300, 370 and 400 mg iodine per ml (mgI/ml). Six pigs underwent repeated chest MDCT using three different CM (iopromide 300, iopromide 370, iomeprol 400). An identical iodine delivery (IDR) rate of 1.5 gI/s and a constant total iodine dose of 300 mg/kg body weight were used. Dynamic CT were acquired at the level of the pulmonary artery, and the ascending and descending aorta. After the time enhancement curves were computed, the pulmonary and aortic peak enhancement, time to peak and plateau time above 300 HU were calculated. Intra-individual peak contrast enhancement was significantly higher for the 300 mgI/ml contrast medium compared with the 370 and 400 mgI/ml media: pulmonary trunk 595 HU vs 516 HU (p = 0.0093) vs 472HU (p = 0.0005), and aorta 505 HU vs 454 HU (p = 0.0008) vs 439 HU (p = 0.0001), respectively. Comparison of time to peaks showed no significant difference. Plateau times were significantly longer for the 300 mgI/ml than for the 370 and 400 mgI/ml CM at all anatomical sites. Given normalised IDR and total iodine burden, the use of CM with a standard concentration with 300 mg iodine/ml provides improved contrast enhancement compared with highly concentrated CM in the chest. (orig.)

  10. 1: 1 Transfusion strategies are right for the wrong reasons.

    Science.gov (United States)

    Savage, Stephanie A; Zarzaur, Ben L; Brewer, Brian L; Lim, Garrett H; Martin, Ali C; Magnotti, Louis J; Croce, Martin A; Pohlman, Timothy H

    2017-05-01

    Early assessment of clot function identifies coagulopathies after injury. Abnormalities include a hypercoagulable state from excess thrombin generation, as well as an acquired coagulopathy. Efforts to address coagulopathy have resulted in earlier, aggressive use of plasma emphasizing 1:1 resuscitation. The purpose of this study was to describe coagulopathies in varying hemorrhagic profiles from a cohort of injured patients. All injured patients who received at least one unit of packed red blood cells (PRBC) in the first 24 hours of admission from September 2013 to May 2015 were eligible for inclusion. Group-Based Trajectory Modeling, using volume of transfusion over time, was used to identify specific hemorrhagic phenotypes. The thromboelastography profile of each subgroup was characterized and group features were compared. Four hemorrhagic profiles were identified among 330 patients-minimal (MIN, group 1); patients with large PRBC requirements later in the hospital course (LH, group 2); massive PRBC usage (MH, group 3), and PRBC transfusion limited to shortly after injury (EH, group 4). All groups had an R-time shorter than the normal range (3.2-3.5, p = NS). Patients in group 3 had longer K-times (1.8 vs. 1.2-1.3, p < 0.05), significantly flatter α-angles (66.7 vs. 70.4-72.8, p < 0.05), and significantly weaker clot strength (MA 54.6 vs. 62.3-63.6, p < 0.05). Group 3 had greater physiologic derangements at admission and worse overall outcomes. Hemorrhagic profiles suggest a rapid onset of clot formation in all subgroups but significantly suppressed thrombin burst and diminished clot strength in the most injured. Patients are both hypercoagulable, with early and precipitous clot formation, and also have a demonstrable hypocoagulability. The exact cause of traumatic hypocoagulability is likely multifactorial. Goal-directed resuscitation, as early as institution of the massive transfusion protocol, may be more effective in resuscitating the most coagulopathic

  11. TEM analysis of the microstructure in TiF3-catalyzed and pure MgH2 during the hydrogen storage cycling

    International Nuclear Information System (INIS)

    Danaie, Mohsen; Mitlin, David

    2012-01-01

    We utilized transmission electron microscopy (TEM) analysis, with a cryogenically cooled sample stage, to detail the microstructure of partially transformed pure and titanium fluoride-catalyzed magnesium hydride powder during hydrogenation cycling. The TiF 3 -catalyzed MgH 2 powder demonstrated excellent hydrogen storage kinetics at various temperatures, whereas the uncatalyzed MgH 2 showed significant degradation in both kinetics and capacity. TEM analysis on the partially hydrogen absorbed and partially desorbed pure Mg(MgH 2 ) revealed a large fraction of particles that were either not transformed at all or were completely transformed. On the other hand, in the MgH 2 +TiF 3 system it was much easier to identify regions with both the hydride and the metal phase coexisting in the same particle. This enabled us to establish the metal hydride orientation relationship (OR) during hydrogen absorption. The OR was determined to be (1 1 0)MgH 2 || (−1 1 0 −1)Mg and [−1 1 1]MgH 2 || [0 1 −1 1]Mg. During absorption the number density of the hydride nuclei does not show a dramatic increase due the presence of TiF 3 . Conversely, during desorption the TiF 3 catalyst substantially increases the number of the newly formed Mg crystallites, which display a strong texture correlation with respect to the parent MgH 2 phase. Titanium fluoride also promotes extensive twinning in the hydride phase.

  12. Ultraviolet spectra of Mg in liquid helium

    International Nuclear Information System (INIS)

    Moriwaki, Y.; Morita, N.

    1999-01-01

    Emission and absorption spectra of Mg atoms implanted in liquid helium have been observed in the ultraviolet region. We have presented a model of exciplex formation of Mg-He 10 and found that this model is more suitable for understanding the dynamics in the 3s3p 1 P→3s 21 S transition than the bubble model. (orig.)

  13. Summary of day 1 - International perspective

    International Nuclear Information System (INIS)

    Baer, A.

    2005-01-01

    The interest of this first session was to have presentations by genuine policy makers, i.e., by people directly involved in the political process by which society deals with its technological challenges. There was general agreement that progress is continuously being made, to the point that technological aspects of geologic disposal may be considered to have been solved. Although further progress will surely be made, no major breakthrough is expected in this area and many consider the technology to be mature. This is only one side of the waste disposal issue however. The other side, which covers socio-political issues, is far from having been resolved. Progress has been made, in the sense that technologists accept that they need help from other, non technical groups in society. This is a complex issue because whereas technology, like science, is universal and easily lends itself to international co-operation, socio-political issues are closely connected to the continuous evolution of one particular national society. Here, international co-operation may mean following what others are doing, but not necessarily copying their approach. All national societies may draw technical help from a common international pool of knowledge, but each one will weave it into its national fabric, in its own specific way. As one example, the so-called 'Swedish model' for geologic disposal cannot necessarily be directly transposed to other countries. Little was said in presentations about 'the future' except for the fact that because of the very long lead times that are usual in this field (20 to 50 years ) there may exist a trend to believe that the future, 20 or 30 years from now will be a continuation of the present. This is a plausible assumption for technologies, but need not be true for socio-political developments. We cannot predict the future but we should not assume that we know what it will look like. In our policies we must therefore not only have a clear idea of where we want to go, but also favour flexible approaches that we may modify if required. Above all, we must never loose from sight that our ultimate goal is to ensure the safety of geological waste disposal. (author)

  14. Brahms Experiment at RHIC Day-1 Physics

    International Nuclear Information System (INIS)

    Videbaek, Flemming

    1999-01-01

    The BRAHMS experiment is designed to measure semi-inclusive spectra of charged hadron over a wide range of rapidity. It will yield information on particle production, both at central rapidity and in the baryon rich fragmentation region. The physics plans for measurements in the first year of running at RHIC are discussed

  15. Atomic and electronic structures of the (√(13)×√(13))R13.9° of silicene sheet on Ag(1 1 1)

    Energy Technology Data Exchange (ETDEWEB)

    Tchalala, Mohamed Rachid [Institut des Sciences Moléculaires d’Orsay, ISMO-CNRS, Bât. 210, Université Paris-Sud, F-91405 Orsay (France); Laboratoire de Chimie de Coordination et Catalyse, Département de Chimie, Faculté des Sciences-Semlalia, Université Cadi Ayyad, Marrakech 40001 (Morocco); Enriquez, Hanna [Institut des Sciences Moléculaires d’Orsay, ISMO-CNRS, Bât. 210, Université Paris-Sud, F-91405 Orsay (France); Yildirim, Handan; Kara, Abdelkader [Department of Physics, University of Central Florida, Orlando, FL 32816 (United States); Mayne, Andrew J.; Dujardin, Gérald [Institut des Sciences Moléculaires d’Orsay, ISMO-CNRS, Bât. 210, Université Paris-Sud, F-91405 Orsay (France); Ali, Mustapha Ait [Laboratoire de Chimie de Coordination et Catalyse, Département de Chimie, Faculté des Sciences-Semlalia, Université Cadi Ayyad, Marrakech 40001 (Morocco); Oughaddou, Hamid, E-mail: Hamid.Oughaddou@u-psud.fr [Institut des Sciences Moléculaires d’Orsay, ISMO-CNRS, Bât. 210, Université Paris-Sud, F-91405 Orsay (France); Département de Physique, Université de Cergy-Pontoise, F-95031 Cergy-Pontoise Cedex (France)

    2014-06-01

    Using scanning tunneling microscopy, low energy electron diffraction measurements, and ab initio calculations based on density functional theory, we present atomic models of the (√(13)×√(13))R13.9° silicene superstructure grown on Ag(1 1 1). The STM images reveal two co-existing atomic arrangements with two different orientations of the silicene sheet relative to the Ag(1 1 1) surface. DFT calculations with and without the inclusion of van der Waals interactions show corrugated Si atomic positions for both orientations implying a significant interaction with Ag(1 1 1) surface. The electronic structure of both silicene and Ag(1 1 1) surface are sufficiently affected that new interface states emerge close to the Fermi level.

  16. Optical absorption and thermoluminescence in Mg O, Mg O:Ni and Mg O:Li irradiated at room temperature

    International Nuclear Information System (INIS)

    Delgado, L.

    1984-01-01

    Optical absorption and thermoluminescence (TL) studies in Mg O, Mg O:Ni and Mg O:Li irradiated at room temperature are presented. In pure Mg O the thermal annihilation of Fe3+ by recombination with thermally released electrons at ∼ 90 and 175 degree centigree and the V center annealing by hole release up to 100 degree centigree cause the observed glow peaks at these temperatures. The TL excitation spectrum shows two maxima at 245 nm (electron center) and 288 nm (Fe3+). In Mg O:Ni X irradiation induces Fe 2 + →- Fe 3 + and Ni 2 + → Ni 3 + oxidations. Two TL emission bands centered at 110 degree centigree (red) and 80 o C (green) are assigned to electron release and their recombination at Fe 3 + and Ni 3 + respectively. In Mg O:Li two TL emission bands, one blue (430 nm) and the other red (730 nm) with excitation maxima at 245 nm (electron center) and 200 nm (hole center) respectively are observed. No V-center formation was detected in both Ni and Li doped samples. (Author) 42 refs

  17. Mg2BIV: Narrow Bandgap Thermoelectric Semiconductors

    Science.gov (United States)

    Kim, Il-Ho

    2018-05-01

    Thermoelectric materials can convert thermal energy directly into electric energy and vice versa. The electricity generation from waste heat via thermoelectric devices can be considered as a new energy source. For instance, automotive exhaust gas and all industrial processes generate an enormous amount of waste heat that can be converted to electricity by using thermoelectric devices. Magnesium compound Mg2BIV (BIV = Si, Ge or Sn) has a favorable combination of physical and chemical properties and can be a good base for the development of new efficient thermoelectrics. Because they possess similar properties to those of group BIV elemental semiconductors, they have been recognized as good candidates for thermoelectric applications. Mg2Si, Mg2Ge and Mg2Sn with an antifluorite structure are narrow bandgap semiconductors with indirect band gaps of 0.77 eV, 0.74 eV, and 0.35 eV, respectively. Mg2BIV has been recognized as a promising material for thermoelectric energy conversion at temperatures ranging from 500 K to 800 K. Compared to other thermoelectric materials operating in the similar temperature range, such as PbTe and filled skutterudites, the important aspects of Mg2BIV are non-toxic and earth-abundant elements. Based on classical thermoelectric theory, the material factor β ( m* / m e)3/2μκ L -1 can be utilized as the criterion for thermoelectric material selection, where m* is the density-of-states effective mass, me is the mass of an electron, μ is the carrier mobility, and κL is the lattice thermal conductivity. The β for magnesium silicides is 14, which is very high compared to 0.8 for iron silicides, 1.4 for manganese silicides, and 2.6 for silicon-germanium alloys. In this paper, basic phenomena of thermoelectricity and transport parameters for thermoelectric materials were briefly introduced, and thermoelectric properties of Mg2BIV synthesized by using a solid-state reaction were reviewed. In addition, various Mg2BIV compounds were discussed

  18. On the Hopf structure of Up,q(gl(1/1)) and the universal Τ-matrix of Funp,q(GL(1/1))

    International Nuclear Information System (INIS)

    Chakrabarti, R.; Jagannathan, R.

    1994-08-01

    Using the technique developed by Fronsdal and Galindo (Lett. Math. Phys, 27 (1993) 57) for studying the Hopf duality between the quantum algebras Fun p,q (GL(2)) and U p,q (gl(2)), the Hopf structure of U p,q (gl(1/1)), dual to Fun p,q (GL(1/1)), is derived and the corresponding universal Τ-matrix of Fun p,q (GL(1/1)), embodying the suitably modified exponential relationship U p,q (gl(1/1)) → Fun p,q (GL(1/1)), is obtained. (author). 10 refs

  19. Superconductivity in MgB{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Muranaka, Takahiro; Akimitsu, Jun [Aoyama Gakuin Univ., Kanagawa (Japan). Dept. of Physics and Mathematics

    2011-07-01

    We review superconductivity in MgB{sub 2} in terms of crystal and electronic structure, electron-phonon coupling, two-gap superconductivity and application. Finally, we introduce the development of new superconducting materials in related compounds. (orig.)

  20. Additive Manufacturing of Magnesium (Mg) Alloys

    Data.gov (United States)

    National Aeronautics and Space Administration — The proposed work is to investigate additive manufacturing techniques for Mg alloys.  It will leverage off research being conducted at University of Florida and...

  1. Chondrogenic differentiation of ATDC5-cells under the influence of Mg and Mg alloy degradation.

    Science.gov (United States)

    Martinez Sanchez, Adela H; Feyerabend, Frank; Laipple, Daniel; Willumeit-Römer, Regine; Weinberg, Annelie; Luthringer, Bérengère J C

    2017-03-01

    Biodegradable magnesium (Mg)-based materials are a potential alternative to permanent implants for application in children. Nevertheless effects of those materials on growth plate cartilage and chondrogenesis have not been previously evaluated. In vitro differentiation of ATDC5 cells was evaluated under the influence of pure Mg (PMg), Mg with 10wt% of gadolinium (Mg-10Gd) and Mg with 2wt% of silver (Mg-2Ag) degradation products (extracts) and direct cell culture on the materials. Gene expression showed an inhibitory effect on ATDC5 mineralization with the three extracts and a chondrogenic potential of Mg-10Gd. Cells cultured in Mg-10Gd and Mg-2Ag extracts showed the same proliferation and morphology than cells cultured in growth conditions. Mg-10Gd induced an increase in production of ECM and a bigger cell size, similar to the effects found with differentiation conditions. An increased metabolic activity was observed in cells cultured under the influence of Mg-10Gd extracts, indicated by an acidic pH during most of the culture period. After 7days of culture on the materials, ATDC5 growth, distribution and ECM synthesis were higher on Mg-10Gd samples, followed by Mg-2Ag and PMg, which was influenced by the homogeneity and composition of the degradation layer. This study confirmed the tolerance of ATDC5 cells to Mg-based materials and a chondrogenic effect of Mg-10Gd. Further studies in vitro and in vivo are necessary to evaluate cell reactions to those materials, as well as the effects on bone growth and the biocompatibility of the alloying system in the body. Copyright © 2016 Elsevier B.V. All rights reserved.

  2. Mg/Ca of Continental Ostracode Shells

    Science.gov (United States)

    Ito, E.; Forester, R. M.; Marco-Barba, J.; Mezquita, F.

    2007-12-01

    Marine ionic chemistry is thought to remain constant. This, together with the belief that marine calcifiers partition Mg/Ca in a systematic manner as functions of temperature (and Mg/Ca) of water forms the basis of the Mg/Ca thermometer. In continental settings both of these assumptions are usually not true. Continental waters contain a wide variety of solutes in absolute and relative ion concentrations. Hence, waters with identical Mg/Ca may have very different concentrations of Mg and Ca and very different anions. Here we use two examples to focus on the effects of ion chemistry on Mg/Ca partitioning in continental ostracode shells and we ignore the complexities of solute evolution, which can change Mg/Ca over timescales of minutes to millennia. Palacios-Fest and Dettman (2001) conducted a monthly study of ,Cypridopsis vidua at El Yeso Lake in Sonora, Mexico. They established a relation between temperature and average shell Mg/Ca using regression analyses on averaged data. When their Mg/Ca-temperature relation is applied to monthly ,C. vidua data from Page Pond near Cleveland, Ohio, water temperatures of -8 to -1°C are obtained. The observed Mg/Ca ranges for El Yeso Lake (0.31 to 0.46) and Page Pond (0.33 to 0.46) are similar, as are their specific conductivities (700 to 850μS for El Yeso Lake; 400 to 600μS for Page Pond). However, [Ca] is 140-260 mg/L for El Yeso, but only 70-90 mg/L for Page Pond. Page Pond data, in fact, shows a good temperature shell Mg/Ca relation for .C. vidua, but the relation is different from that at El Yeso. Hence, shell Mg/Ca is a multi-valued, family of curves function of temperature and Mg/Ca of water that depends on the [Mg] and [Ca] values in water and perhaps other factors. Our second example comes from sites near Valencia, Spain and involves shell data for ,Cyprideis torosa, an estuarine ostracode that is tolerant of a wide range of salinity and can live in continental waters as long as the carbonate alkalinity to Ca ratio is

  3. Prussian Blue Mg-Li Hybrid Batteries.

    Science.gov (United States)

    Sun, Xiaoqi; Duffort, Victor; Nazar, Linda F

    2016-08-01

    The major advantage of Mg batteries relies on their promise of employing an Mg metal negative electrode, which offers much higher energy density compared to graphitic carbon. However, the strong coulombic interaction of Mg 2+ ions with anions leads to their sluggish diffusion in the solid state, which along with a high desolvation energy, hinders the development of positive electrode materials. To circumvent this limitation, Mg metal negative electrodes can be used in hybrid systems by coupling an Li + insertion cathode through a dual salt electrolyte. Two "high voltage" Prussian blue analogues (average 2.3 V vs Mg/Mg 2+ ; 3.0 V vs Li/Li + ) are investigated as cathode materials and the influence of structural water is shown. Their electrochemical profiles, presenting two voltage plateaus, are explained based on the two unique Fe bonding environments. Structural water has a beneficial impact on the cell voltage. Capacities of 125 mAh g -1 are obtained at a current density of 10 mA g -1 (≈C/10), while stable performance up to 300 cycles is demonstrated at 200 mA g -1 (≈2C). The hybrid cell design is a step toward building a safe and high density energy storage system.

  4. The parietal epithelial cell: a key player in the pathogenesis of focal segmental glomerulosclerosis in Thy-1.1 transgenic mice.

    Science.gov (United States)

    Smeets, Bart; Te Loeke, Nathalie A J M; Dijkman, Henry B P M; Steenbergen, Mark L M; Lensen, Joost F M; Begieneman, Mark P V; van Kuppevelt, Toin H; Wetzels, Jack F M; Steenbergen, Eric J

    2004-04-01

    Focal segmental glomerulosclerosis (FSGS) is a hallmark of progressive renal disease. Podocyte injury and loss have been proposed as the critical events that lead to FSGS. In the present study, the authors have examined the development of FSGS in Thy-1.1 transgenic (tg) mice, with emphasis on the podocyte and parietal epithelial cell (PEC). Thy-1.1 tg mice express the Thy-1.1 antigen on podocytes. Injection of anti-Thy-1.1 mAb induces an acute albuminuria and development of FSGS lesions that resemble human collapsing FSGS. The authors studied FSGS lesions at days 1, 3, 6, 7, 10, 14, and 21, in relation to changes in the expression of specific markers for normal podocytes (WT-1, synaptopodin, ASD33, and the Thy-1.1 antigen), for mouse PEC (CD10), for activated podocytes (desmin), for macrophages (CD68), and for proliferation (Ki-67). The composition of the extracellular matrix (ECM) that forms tuft adhesions or scars was studied using mAb against collagen IV alpha2 and alpha4 chains and antibodies directed against different heparan sulfate species. The first change observed was severe PEC injury at day 1, which increased in time, and resulted in denuded segments of Bowman's capsule at days 6 and 7. Podocytes showed foot process effacement and microvillous transformation. There was no evidence of podocyte loss or denudation of the GBM. Podocytes became hypertrophic at day 3, with decreased expression of ASD33 and synaptopodin and normal expression of WT-1 and Thy-1.1. Podocyte bridges were formed by attachment of hypertrophic podocytes to PEC and podocyte apposition against denuded segments of Bowman's capsule. At day 6, there was a marked proliferation of epithelial cells in Bowman's space. These proliferating cells were negative for desmin and all podocyte markers, but stained for CD10, and thus appeared to be PEC. The staining properties of the early adhesions were identical to that of Bowman's capsule, suggesting that the ECM in the adhesions was produced by PEC

  5. Synthesis, growth, and studies (crystal chemistry, magnetic chemistry) of actinide-based intermetallic compounds and alloys with a 1.1.1 stoichiometry

    International Nuclear Information System (INIS)

    Kergadallan, Yann

    1993-01-01

    The first part of this research thesis reports the study of the synthesis and reactivity of intermetallic compounds with a 1.1.1 stoichiometry. It presents the thermal properties of 1.1.1 compounds: general presentation of physical transitions, and of solid solutions and formation heat, application to actinides (reactivity analysis from phase diagrams, techniques of crystal synthesis and crystal growth. It describes experimental techniques: synthesis, determination of fusion temperature by dilatometry, methods used for crystal growth, characterisation techniques (metallography, X ray diffraction on powders, dilatometry). It discusses the obtained results in terms of characterisation of synthesised samples, of crystal growth, and of measurements of fusion temperature. The second part addresses crystal chemistry studies: structure of compounds with a 1.1.1 stoichiometry (Laves structures, Zr, Ti and Pu compounds), techniques of analysis by X-ray diffraction (on powders and on single crystals), result interpretation (UNiX compounds, AnTAl compounds with T being a metal from group VIII, AnTGa compounds, AnNiGe compounds, distance comparison, structure modifications under pressure). The third part concerns physical issues. The author addresses the following topics: physical properties of intermetallic 1.1.1 compounds (magnetism of yttrium phases, behaviour of uranium-based Laves phases, analysis of pseudo-binary diagrams, physical characteristics of uranium-based 1.1.1 compounds, predictions of physical measurements), analysis techniques (Moessbauer spectroscopy, SQUID for Superconducting Quantum Interference Device), and result interpretation

  6. Density functional theory study of the adsorption and dissociation of O{sub 2} on CuO(1 1 1) surface

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Shujuan, E-mail: sunshujuan@hebut.edu.cn [School of Chemical Engineering and Technology, Hebei University of Technology, Tianjin 300130 (China); Li, Chunyu [Science and Technology Innovation Center, Datang Technologies Industry Group Company Limited, Beijing (China); Zhang, Dongsheng [School of Chemical Engineering and Technology, Hebei University of Technology, Tianjin 300130 (China); Wang, Yanji, E-mail: yjwang@hebut.edu.cn [School of Chemical Engineering and Technology, Hebei University of Technology, Tianjin 300130 (China)

    2015-04-01

    Highlights: • The dissociation mechanisms of O{sub 2} on the CuO(1 1 1) surface have been obtained. • The energy barriers and reaction energies are calculated. • The presence of oxygen vacancy can obviously improve the catalytic activity of CuO. - Abstract: Density functional theory (DFT) have been performed to investigate the adsorption and dissociation of O{sub 2} on the perfect and oxygen-deficient CuO(1 1 1) surfaces. The calculated results indicate that the bridge site of two Cu{sub sub} atoms is the most favorable site for O adsorption on the perfect CuO(1 1 1) surface. But on the oxygen-deficient CuO(1 1 1) surface, the O atom adsorbed on O{sub vacancy} site after optimization. On the perfect and oxygen-deficient CuO(1 1 1) surfaces, the O{sub 2} are all paralleling to the surface after optimization. Possible dissociation pathways of molecularly adsorbed O{sub 2} on the two surfaces are identified. The calculated results suggest that the presence of oxygen vacancy exhibits a strong chemical reactivity towards the dissociation of O{sub 2} and can obviously improve the catalytic activity of CuO.

  7. Lateral manipulation of small clusters on the Cu and Ag(1 1 1) surfaces with the single-atom and trimer-apex tips: Reliability study

    International Nuclear Information System (INIS)

    Xie Yiqun; Liu Fen; Huang Lei

    2010-01-01

    We study the reliability of the lateral manipulation of small Cu clusters (dimer and trimer) on the flat Cu(1 1 1) surface with both the single-atom and trimer-apex tips and that for the Ag/Ag(1 1 1) system, and compare the results between the two systems as well as with the single-atom manipulation on these surfaces. Manipulations are simulated using molecular statics method with semi-empirical potentials. The dependence of the manipulation reliability on the tip height and tip orientation are investigated. Overall, the manipulation reliability increases with decreasing tip height although it depends obviously on the tip orientation. For the Cu/Cu(1 1 1) system, the manipulation of the dimmer and trimer can be successful with both tips. The manipulation reliability can be improved by the trimer-apex tip, and the tip-height range for the successful manipulation is also broader, as compared to the single-atom apex tip. Differently from the single-atom manipulation, the tip orientation has a noticeable influence on the manipulation reliability even for the single-atom tip due to the stronger tip-cluster and surface-adatom interactions in cluster manipulation. For the Ag/Ag(1 1 1) system, successful manipulations only be achieved with the trimer-apex tip, and the manipulation reliability is worse than that of the Cu/Cu(1 1 1) system, indicating the difference in mechanic properties between the two surfaces at the atomic level.

  8. The putative glutamate receptor 1.1 (AtGLR1.1) in Arabidopsis thaliana regulates abscisic acid biosynthesis and signaling to control development and water loss.

    Science.gov (United States)

    Kang, Jiman; Mehta, Sohum; Turano, Frank J

    2004-10-01

    The involvement of the putative glutamate receptor 1.1 (AtGLR1.1) gene in the regulation of abscisic acid (ABA) biosynthesis and signaling was investigated in Arabidopsis. Seeds from AtGLR1.1-deficient (antiAtGLR1.1) lines had increased sensitivity to exogenous ABA with regard to the effect of the hormone on the inhibition of seed germination and root growth. Seed germination, which was inhibited by an animal ionotropic glutamate receptor antagonist, 6,7-dinitroquinoxaline-2,3-[1H,4H]-dione, was restored by co-incubation with an inhibitor of ABA biosynthesis, fluridone. These results confirm that germination in antiAtGLR1.1 lines was inhibited by increased ABA. When antiAtGLR1.1 and WT seeds were co-incubated in fluridone and exogenous ABA, the antiAtGLR1.1 seeds were more sensitive to ABA. In addition, the antiAtGLR1.1 lines exhibited altered expression of ABA biosynthetic (ABA) and signaling (ABI) genes, when compared with WT. Combining the physiological and molecular results suggest that ABA biosynthesis and signaling in antiAtGLR1.1 lines are altered. ABA levels in leaves of antiAtGLR1.1 lines are higher than those in WT. In addition, the antiAtGLR1.1 lines had reduced stomatal apertures, and exhibited enhanced drought tolerance due to deceased water loss compared with WT lines. The results from these experiments imply that ABA biosynthesis and signaling can be regulated through AtGLR1.1 to trigger pre- and post-germination arrest and changes in whole plant responses to water stress. Combined with our earlier results, these findings suggest that AtGLR1.1 integrates and regulates the different aspects of C, N and water balance that are required for normal plant growth and development.

  9. Formation and Corrosion Resistance of Mg-Al Hydrotalcite Film on Mg-Gd-Zn Alloy

    Science.gov (United States)

    Ba, Z. X.; Dong, Q. S.; Kong, S. X.; Zhang, X. B.; Xue, Y. J.; Chen, Y. J.

    2017-06-01

    An environment-friendly technique for depositing a Mg-Al hydrotalcite (HT) (Mg6Al2(OH)16-CO3ṡ4H2O) conversion film was developed to protect the Mg-Gd-Zn alloy from corrosion. The morphology and chemical compositions of the film were analyzed by scanning electronic microscope (SEM) equipped with energy dispersive X-ray spectroscopy (EDS), X-ray diffraction (XRD) and Raman spectroscopy (RS), respectively. The electrochemical test and hydrogen evolution test were employed to evaluate the biocorrosion behavior of Mg-Gd-Zn alloy coated with the Mg-Al HT film in the simulated body fluid (SBF). It was found that the formation of Mg-Al HT film was a transition from amorphous precursor to a crystalline HT structure. The HT film can effectively improve the corrosion resistance of magnesium alloy. It indicates that the process provides a promising approach to modify Mg-Gd-Zn alloy.

  10. Microstructural evolution in Mg-rich Mg-Zn-Y alloys

    International Nuclear Information System (INIS)

    Biswas, T.; Ranganathan, S.; Nair, S.; Bajargan, G.

    2005-01-01

    Mg-rich Mg-Zn-Y alloys with nominal compositions Mg 97 Zn 1 Y 2 , Mg 97 Zn 2 Y 1 , Mg 92 Zn 6.5 Y 1.5 and Mg 97-x Zn 1 Y 2 Zr x have been chosen for the present study. These alloys are prepared by using sand casting mold. The sand cast alloys are remelted and subjected to copper mold casting and melt spinning techniques. The effect of cooling rate on microstructures was studied. It is observed that the size of the precipitates decreases with an increase of cooling rate. The formation of nano precipitates results in higher strength of the alloy as compared to the conventional alloys. The microstructures of melt spun ribbons are compared with RS/PM (rapidly solidified power metallurgy) Mg 97 Zn 1 Y 2 alloy, obtained from a different source. (author)

  11. Melting relations in the MgO-MgSiO3 system up to 70 GPa

    Science.gov (United States)

    Ohnishi, Satoka; Kuwayama, Yasuhiro; Inoue, Toru

    2017-06-01

    Melting experiments in a binary system MgO-MgSiO3 were performed up to 70 GPa using a CO2 laser heated diamond anvil cell. The quenched samples were polished and analyzed by a dualbeam focused ion beam (FIB) and a field emission scanning electron microscope (FE-SEM), respectively. The liquidus phase and the eutectic composition were determined on the basis of textual and chemical analyses of sample cross sections. Our experimental results show that the eutectic composition is the Si/Mg molar ratio of 0.76 at 35 GPa and it decreases with increasing pressure. Above 45 GPa, it becomes relatively constant at about 0.64-0.65 Si/Mg molar ratio. Using our experimental data collected at a wide pressure range up to 70 GPa together with previous experimental data, we have constructed a thermodynamic model of the eutectic composition of the MgO-MgSiO3 system. The eutectic composition extrapolated to the pressure and temperature conditions at the base of the mantle is about 0.64 Si/Mg molar ratio. The modeled eutectic composition is quite consistent with a previous prediction from ab initio calculations (de Koker et al. in Earth Planet Sci Lett 361:58-63, 2013), suggesting that the simple assumption of a non-ideal regular solution model can well describe the melting relation of the MgO-MgSiO3 system at high pressure. Our results show that the liquidus phase changes from MgO-periclase to MgSiO3-bridgmanite at 35 GPa for the simplified pyrolite composition ( 0.7 Si/Mg molar ratio), while MgSiO3-bridgmanite is the liquidus phase at the entire lower mantle conditions for the chondritic composition ( 0.84 Si/Mg molar ratio).

  12. Chondrogenic differentiation of ATDC5-cells under the influence of Mg and Mg alloy degradation

    Energy Technology Data Exchange (ETDEWEB)

    Martinez Sanchez, Adela H., E-mail: adela.martinez@hzg.de [Helmholtz-Zentrum Geesthacht, Institute of Material Research, Department for Structural Research on Macromolecules, Geesthacht (Germany); Feyerabend, Frank; Laipple, Daniel; Willumeit-Römer, Regine [Helmholtz-Zentrum Geesthacht, Institute of Material Research, Department for Structural Research on Macromolecules, Geesthacht (Germany); Weinberg, Annelie [Department of Orthopedics and Orthopedic Surgery, Medical University of Graz (Austria); Luthringer, Bérengère J.C. [Helmholtz-Zentrum Geesthacht, Institute of Material Research, Department for Structural Research on Macromolecules, Geesthacht (Germany)

    2017-03-01

    Biodegradable magnesium (Mg)-based materials are a potential alternative to permanent implants for application in children. Nevertheless effects of those materials on growth plate cartilage and chondrogenesis have not been previously evaluated. In vitro differentiation of ATDC5 cells was evaluated under the influence of pure Mg (PMg), Mg with 10 wt% of gadolinium (Mg-10Gd) and Mg with 2 wt% of silver (Mg-2Ag) degradation products (extracts) and direct cell culture on the materials. Gene expression showed an inhibitory effect on ATDC5 mineralization with the three extracts and a chondrogenic potential of Mg-10Gd. Cells cultured in Mg-10Gd and Mg-2Ag extracts showed the same proliferation and morphology than cells cultured in growth conditions. Mg-10Gd induced an increase in production of ECM and a bigger cell size, similar to the effects found with differentiation conditions. An increased metabolic activity was observed in cells cultured under the influence of Mg-10Gd extracts, indicated by an acidic pH during most of the culture period. After 7 days of culture on the materials, ATDC5 growth, distribution and ECM synthesis were higher on Mg-10Gd samples, followed by Mg-2Ag and PMg, which was influenced by the homogeneity and composition of the degradation layer. This study confirmed the tolerance of ATDC5 cells to Mg-based materials and a chondrogenic effect of Mg-10Gd. Further studies in vitro and in vivo are necessary to evaluate cell reactions to those materials, as well as the effects on bone growth and the biocompatibility of the alloying system in the body. - Highlights: • Degradation of PMg, and Mg-2Ag do not influence ATDC5 cells growth and chondrogenic redifferentiation. • Mg-10Gd enhances fast chondrogenic redifferentiation and expression of hyperthrophic markers on ATDC5 cells. • Further evaluation of the effects of PMg, Mg-10Gd and Mg-2Ag in vivo are necessary to confirm its potential for application in growing bones.

  13. Chondrogenic differentiation of ATDC5-cells under the influence of Mg and Mg alloy degradation

    International Nuclear Information System (INIS)

    Martinez Sanchez, Adela H.; Feyerabend, Frank; Laipple, Daniel; Willumeit-Römer, Regine; Weinberg, Annelie; Luthringer, Bérengère J.C.

    2017-01-01

    Biodegradable magnesium (Mg)-based materials are a potential alternative to permanent implants for application in children. Nevertheless effects of those materials on growth plate cartilage and chondrogenesis have not been previously evaluated. In vitro differentiation of ATDC5 cells was evaluated under the influence of pure Mg (PMg), Mg with 10 wt% of gadolinium (Mg-10Gd) and Mg with 2 wt% of silver (Mg-2Ag) degradation products (extracts) and direct cell culture on the materials. Gene expression showed an inhibitory effect on ATDC5 mineralization with the three extracts and a chondrogenic potential of Mg-10Gd. Cells cultured in Mg-10Gd and Mg-2Ag extracts showed the same proliferation and morphology than cells cultured in growth conditions. Mg-10Gd induced an increase in production of ECM and a bigger cell size, similar to the effects found with differentiation conditions. An increased metabolic activity was observed in cells cultured under the influence of Mg-10Gd extracts, indicated by an acidic pH during most of the culture period. After 7 days of culture on the materials, ATDC5 growth, distribution and ECM synthesis were higher on Mg-10Gd samples, followed by Mg-2Ag and PMg, which was influenced by the homogeneity and composition of the degradation layer. This study confirmed the tolerance of ATDC5 cells to Mg-based materials and a chondrogenic effect of Mg-10Gd. Further studies in vitro and in vivo are necessary to evaluate cell reactions to those materials, as well as the effects on bone growth and the biocompatibility of the alloying system in the body. - Highlights: • Degradation of PMg, and Mg-2Ag do not influence ATDC5 cells growth and chondrogenic redifferentiation. • Mg-10Gd enhances fast chondrogenic redifferentiation and expression of hyperthrophic markers on ATDC5 cells. • Further evaluation of the effects of PMg, Mg-10Gd and Mg-2Ag in vivo are necessary to confirm its potential for application in growing bones.

  14. Hydrogeochemical evaluation of the Forsmark site, model version 1.1

    Energy Technology Data Exchange (ETDEWEB)

    Laaksoharju, Marcus (ed.) [GeoPoint AB, Sollentuna (Sweden); Gimeno, Maria; Auque, Luis; Gomez, Javier [Univ. of Zaragoza (Spain). Dept. of Earth Sciences; Smellie, John [Conterra AB, Uppsala (Sweden); Tullborg, Eva-Lena [Terralogica AB, Graabo (Sweden); Gurban, Ioana [3D-Terra, Montreal (Canada)

    2004-01-01

    Siting studies for SKB's programme of deep geological disposal of nuclear fuel waste currently involves the investigation of two locations, Forsmark and Simpevarp, on the eastern coast of Sweden to determine their geological, geochemical and hydrogeological characteristics. Present work completed has resulted in model version 1.1 which represents the first evaluation of the available Forsmark groundwater analytical data collected up to May 1, 2003 (i.e. the first 'data freeze'). The HAG group had access to a total of 456 water samples collected mostly from the surface and sub-surface environment (e.g. soil pipes in the overburden, streams and lakes); only a few samples were collected from drilled boreholes. The deepest samples reflected depths down to 200 m. Furthermore, most of the waters sampled (74%) lacked crucial analytical information that restricted the evaluation. Consequently, model version 1.1 focussed on the processes taking place in the uppermost part of the bedrock rather than at repository levels. The complex groundwater evolution and patterns at Forsmark are a result of many factors such as: a) the flat topography and closeness to the Baltic Sea resulting in relative small hydrogeological driving forces which can preserve old water types from being flushed out, b) the changes in hydrogeology related to glaciation/deglaciation and land uplift, c) repeated marine/lake water regressions/transgressions, and d) organic or inorganic alteration of the groundwater caused by microbial processes or water/rock interactions. The sampled groundwaters reflect to various degrees modern or ancient water/rock interactions and mixing processes. Based on the general geochemical character and the apparent age two major water types occur in Forsmark: fresh-meteoric waters with a bicarbonate imprint and low residence times (tritium values above detection limit), and brackish-marine waters with Cl contents up to 6,000 mg/L and longer residence times (tritium

  15. Comparison of structural re-organisations observed on pre-patterned vicinal Si(1 1 1) and Si(1 0 0) surfaces during heat treatment

    International Nuclear Information System (INIS)

    Kraus, A.; Neddermeyer, H.; Wulfhekel, W.; Sander, D.; Maroutian, T.; Dulot, F.; Martinez-Gil, A.; Hanbuecken, M.

    2004-01-01

    The creation of distinct, periodically structured vicinal Si(1 1 1) and (1 0 0) substrates has been studied using scanning tunnelling microscopy at various temperatures. The vicinal Si(1 1 1) and (1 0 0) surfaces transform under heat treatment in a self-organised way into flat and stepped regions. Optical and electron beam lithography is used to produce a regular hole pattern on the surfaces, which interferes with the temperature-driven morphological changes. The step motions are strongly influenced by this pre-patterning. Pre-patterned Si(1 1 1) surfaces transform into regular one-dimensional (1D) and two-dimensional (2D) morphologies, which consist of terraces and arrangements of step bunches and facets. On pre-patterned Si(1 0 0) substrates different re-organisations were observed where checkerboard-like 2D structures are obtained

  16. Inhibitory effects of intravenous lansoprazole 30 mg and pantoprazole 40 mg twice daily on intragastric acidity in healthy Chinese volunteers: a randomized, open-labeled, two-way crossover study.

    Science.gov (United States)

    Zhan, Xian-Bao; Guo, Xiao-Rong; Li, Zhao-Shen; Gong, Yan-Fang; Gao, Jun; Liao, Zhuan; Li, Zhen; Gao, Shen; Liu, Pei

    2012-02-01

    Until now there has been no study that directly compares the effect of lansoprazole and pantoprazole administered intravenously on intragastric acidity. The aim of this study is to compare the effect of lansoprazole (30 mg) and pantoprazole (40 mg) administered intravenously on gastric acidity. Helicobacter pylori-negative healthy volunteers were recruited in this open-label, randomized, two-way crossover, single centre study. Lansoprazole at 30 mg or pantoprazole at 40 mg was intravenously administered twice daily for 5 consecutive days with at least a 14-day washout interval. Twenty-four-hour intragastric pH was continuously monitored on days 1 and 5 of each dosing period. Twenty-five volunteers completed the 2 dosing periods. The mean intragastric pH values were higher in subjects treated with lansoprazole than those with pantoprazole on both day 1 (6.41 ± 0.14 vs. 5.49 ± 0.13, P=0.0003) and day 5 (7.09 ± 0.07 vs. 6.64 ± 0.07, P=0.0002). Significantly higher percentages of time with intragastric pH >4 and pH >6 were found in the subjects treated with lansoprazole than those with pantoprazole on day 1 (pH >4, 87.12 ± 4.55% vs. 62.28 ± 4.15%, P=0.0012; pH >6, 62.12 ± 4.12% vs. 47.25 ± 3.76%, P=0.0216) and pH >6 on day 5 (76.79 ± 3.77% vs. 58.20 ± 3.77%, P=0.0025). Intravenous lansoprazole produces a longer and more potent inhibitory effect on intragastric acidity than does intravenous pantoprazole.

  17. High (1 1 1) orientation poly-Ge film fabricated by Al induced crystallization without the introduction of AlOx interlayer

    International Nuclear Information System (INIS)

    Wang, Peng; Li, Xin; Liu, Hanhui; Lai, Shumei; Chen, Yuye; Xu, Yihong; Chen, Songyan; Li, Cheng; Huang, Wei; Tang, Dingliang

    2015-01-01

    High (1 1 1) orientation poly-Ge film was fabricated by Al induced crystallization (AIC), where Al and amorphous Ge (a-Ge) layers were continuously deposited by magnetron sputtering, avoiding the deliberate introduction of an AlO x interlayer. To improve the quality of poly-Ge film, the ratio of thicknesses of Al and a-Ge was adjusted. Electron backscattered diffraction (EBSD) results revealed that the (1 1 1) fraction of poly-Ge film reached 97% and the average crystal grain size surpassed 100 μm.

  18. Effects of limestone, N, K and Mg fertilizers on Mg absorption by oats and barley

    Energy Technology Data Exchange (ETDEWEB)

    Alston, A M

    1966-01-01

    Oats grown in a pot experiment on two sandy loams were sampled at four stages of growth. Neither KCl nor MgSO/sub 4/. 7H/sub 2/O had any effect on yield but % Mg and total Mg uptake were consistently decreased by applying K and increased by applying Mg. Ca(NO/sub 3/)/sub 2/ increased % Mg more than did (NH/sub 4/)/sub 2/SO/sub 4/, but yield and total Mg uptake were higher where (NH/sub 4/)/sub 2/SO/sub 4/ was applied. The effects of fertilizers were similar on both soils. The effects of applying (NH/sub 4/)/sub 2/SO/sub 4/ and NaNO/sub 2/ to the soil on % Mg in barley were compared in a field experiment on an acid loam to which several rates of limestone had been applied. Treatments had no effect on the % Mg in grain or straw at maturity. At four earlier stages of growth (NH/sub 4/)/sub 2/SO)/sub 4/ increased % Mg in the plants more than did NaNO/sub 2/. Limestone slightly increased % Mg. Nitrification of NH/sub 4/ in the soil was rapid.

  19. Mg Incorporation Efficiency in Pulsed MOCVD of N-Polar GaN:Mg

    Science.gov (United States)

    Marini, Jonathan; Mahaboob, Isra; Hogan, Kasey; Novak, Steve; Bell, L. D.; Shahedipour-Sandvik, F.

    2017-10-01

    We report on the effect of growth polarity and pulsed or δ -doped growth mode on impurity incorporation in metalorganic chemical vapor deposition-grown GaN. In Ga-polar orientation, up to 12× enhancement in Mg concentration for given Mg flow rate is observed, resulting in enhanced p-type conductivity for these samples. In contrast, this enhancement effect is greatly diminished for N-polar samples, falling off with increasing Mg flow and showing maximum enhancement of 2.7× at 30 nmol/min Mg flow. At higher Mg flow rates, Mg incorporation at normal levels did not correspond to p-type conductivity, which may be due to Mg incorporation at nonacceptor sites. Concentrations of C, O, and Si were also investigated, revealing dependence on Mg flow in N-polar pulsed samples. Carbon incorporation was found to decrease with increasing Mg flow, and oxygen incorporation was found to remain high across varied Mg flow. These effects combine to result in N-polar samples that are not p-type when using the pulsed growth mode.

  20. Structural characteristics and corrosion behavior of biodegradable Mg-Zn, Mg-Zn-Gd alloys.

    Science.gov (United States)

    Kubásek, J; Vojtěch, D

    2013-07-01

    In this research, binary Mg-Zn (up to 3 wt% Zn) and ternary Mg-Zn-Gd (up to 3 wt% Gd, 3 wt% Zn) alloys were prepared by induction melting in an argon atmosphere. The structures of these alloys were characterized using light and scanning electron microscopy, energy dispersive spectrometry, X-ray diffraction and X-ray fluorescence. In addition, Brinell hardness measurements were taken to supplement these studies. Corrosion behavior was evaluated by immersion tests and potentiodynamic measurements in a physiological solution (9 g/l NaCl). Depending on the composition, structures of the as-cast alloys contained α-Mg dendrites, MgZn, Mg5Gd and Mg3Gd2Zn3 phases. Compared to pure Mg, zinc improved the corrosion resistance of binary Mg-Zn. Gadolinium also improved the corrosion resistance in the case of Mg-1Zn-3Gd alloy. The highest corrosion rate was observed for Mg-3Zn-3Gd alloy. Our results improve the understanding of the relationships between the structure and corrosion behavior of our studied alloy systems.

  1. In vitro evidence of glucose-induced toxicity in GnRH secreting neurons: high glucose concentrations influence GnRH secretion, impair cell viability, and induce apoptosis in the GT1-1 neuronal cell line.

    Science.gov (United States)

    Pal, Lubna; Chu, Hsiao-Pai; Shu, Jun; Topalli, Ilir; Santoro, Nanette; Karkanias, George

    2007-10-01

    To evaluate for direct toxic effects of high glucose concentrations on cellular physiology in GnRH secreting immortalized GT1-1 neurons. Prospective experimental design. In vitro experimental model using a cell culture system. GT1-1 cells were cultured in replicates in media with two different glucose concentrations (450 mg/dL and 100 mg/dL, respectively) for varying time intervals (24, 48, and 72 hours). Effects of glucose concentrations on GnRH secretion by the GT1-1 neurons were evaluated using a static culture model. Cell viability, cellular apoptosis, and cell cycle events in GT1-1 neurons maintained in two different glucose concentrations were assessed by flow cytometry (fluorescence-activated cell sorter) using Annexin V-PI staining. Adverse influences of high glucose concentrations on GnRH secretion and cell viability were noted in cultures maintained in high glucose concentration (450 mg/dL) culture medium for varying time intervals. A significantly higher percentage of cells maintained in high glucose concentration medium demonstrated evidence of apoptosis by a fluorescence-activated cell sorter. We provide in vitro evidence of glucose-induced cellular toxicity in GnRH secreting GT1-1 neurons. Significant alterations in GnRH secretion, reduced cell viability, and a higher percentage of apoptotic cells were observed in GT1-1 cells maintained in high (450 mg/dL) compared with low (100 mg/dL) glucose concentration culture medium.

  2. Crystal orientation of monoclinic β-Ga2O3 thin films formed on cubic MgO substrates with a γ-Ga2O3 interfacial layer

    Science.gov (United States)

    Nakagomi, Shinji; Kokubun, Yoshihiro

    2017-12-01

    The crystal orientation relationship between β-Ga2O3 and MgO in β-Ga2O3 thin films prepared on (1 0 0), (1 1 1), and (1 1 0) MgO substrates was investigated by X-ray diffraction measurements and cross-sectional transmission electron microscopy images. The γ-Ga2O3 interfacial layer was present between β-Ga2O3 and MgO acted as a buffer to connect β-Ga2O3 on MgO. The following conditions were satisfied under each case: β-Ga2O3 (1 0 0)||MgO (1 0 0) and β-Ga2O3 [0 0 1]||MgO 〈0 1 1〉 for the formation of β-Ga2O3 on (1 0 0) MgO, and β-Ga2O3 (2 bar 0 1)||MgO (1 1 1) for the formation of β-Ga2O3 on (1 1 1) MgO, as well as each condition of β-Ga2O3 [0 1 0] (1 0 0)||MgO [ 1 bar 1 0 ] (0 0 1), β-Ga2O3 [0 1 0] (1 0 0)||MgO [ 0 1 bar 1 ] (1 0 0), and β-Ga2O3 [0 1 0] (1 0 0)||MgO [ 1 0 1 bar ] (0 1 0). β-Ga2O3 (1 bar 0 2)||MgO(1 1 0) and β-Ga2O3 [0 1 0] ⊥ MgO [0 0 1] for β-Ga2O3 formed on (1 1 0) MgO. The β-Ga2O3 formed on (1 1 1) MgO at 800 °C exhibited a threefold structure. The β-Ga2O3 formed on (1 1 0) MgO had a twofold structure but different by 90° from the result reported previously.

  3. Thermoelectric power of PrMg3

    Science.gov (United States)

    Isikawa, Yosikazu; Somiya, Kazuya; Koyanagi, Huruto; Mizushima, Toshio; Kuwai, Tomohiko; Tayama, Takashi

    2010-01-01

    PrMg3 is supposed to be one of the strongly correlated electron systems originated from the hybridization between the Pr 4f and conduction electrons, because the gigantic electronic specific heat coefficient C/T was observed at low temperatures. However, a typical behaviour of - ln T dependence was not observed in the temperature dependence of the electrical resistivity. The thermoelectric power S is a powerful tool to investigate the density of states at the Fermi energy. We measured carefully the thermoelectric power of PrMg3 in the temperature range between 2 and 300 K. S is extremely small, ranged within ±1 μV/K over the whole temperature. The value of S/T at low temperature limit was also significantly smaller than expected from the specific heat results. We therefore conclude that the density of state at the Fermi level is not enhanced in PrMg3.

  4. Thermoelectric power of PrMg3

    International Nuclear Information System (INIS)

    Isikawa, Yosikazu; Somiya, Kazuya; Koyanagi, Huruto; Mizushima, Toshio; Kuwai, Tomohiko; Tayama, Takashi

    2010-01-01

    PrMg 3 is supposed to be one of the strongly correlated electron systems originated from the hybridization between the Pr 4f and conduction electrons, because the gigantic electronic specific heat coefficient C/T was observed at low temperatures. However, a typical behaviour of - ln T dependence was not observed in the temperature dependence of the electrical resistivity. The thermoelectric power S is a powerful tool to investigate the density of states at the Fermi energy. We measured carefully the thermoelectric power of PrMg 3 in the temperature range between 2 and 300 K. S is extremely small, ranged within ±1 μV/K over the whole temperature. The value of S/T at low temperature limit was also significantly smaller than expected from the specific heat results. We therefore conclude that the density of state at the Fermi level is not enhanced in PrMg 3 .

  5. Selective electronalysis of peracetic acid in the presence of a large excess of H2O2 at Au(1 1 1)-like gold electrode

    International Nuclear Information System (INIS)

    Awad, M.I.

    2012-01-01

    Highlights: ► Analysis of peracetic acid in the presence of a large excess of H 2 O 2 is introduced. ► Au(1 1 1)-like gold electrode serves as an ideal for this purpose. ► The analysis is characterized by high selectivity and sensitivity. - Abstract: Peracetic acid (PAA) has been selectively electroanalyzed in the presence of a large excess of hydrogen peroxide (H 2 O 2 ), about 500 fold that of PAA, using Au (1 1 1)-like gold electrode in acetate buffer solutions of pH 5.4. Au(1 1 1)-like gold electrode was prepared by a controlled reductive desorption of a previously assembled thiol, typically cysteine, monolayer onto the polycrystalline gold (poly-Au) electrode. Cysteine molecules were selectively removed from the Au(1 1 1) facets of the poly-Au electrode, keeping the other two facets (i.e., Au(1 1 0) and Au(1 0 0)) under the protection of the adsorbed cysteine. It has been found that Au(1 1 1)-like gold electrode positively shifts the reduction peak of PAA, while, fortunately, shifts the reduction peak of H 2 O 2 negatively, achieving a large potential separation (around 750 mV) between the two reduction peaks as compared with that (around 450 mV) obtained at the poly-Au electrode. This large potential separation between the two reduction peaks enabled the analysis of PAA in the presence of a large excess of H 2 O 2 . In addition, the positive shift of the reduction peak of PAA gives the present method a high immunity against the interference of the dissolved oxygen.

  6. Transformation products of 1,1-dimethylhydrazine and their distribution in soils of fall places of rocket carriers in Central Kazakhstan

    International Nuclear Information System (INIS)

    Kenessov, Bulat; Alimzhanova, Mereke; Sailaukhanuly, Yerbolat; Baimatova, Nassiba; Abilev, Madi; Batyrbekova, Svetlana; Carlsen, Lars; Tulegenov, Akyl; Nauryzbayev, Mikhail

    2012-01-01

    In our research, three fall places of first stages of Proton rockets have been studied for the presence and distribution of transformation products of 1,1-dimethylhydrazine (1,1-DMH). Results of identification of transformation products of 1,1-DMH in real soil samples polluted due to rocket fuel spills allowed to detect 18 earlier unknown metabolites of 1,1-DMH being formed only under field conditions. According to the results of quantitative analyses, maximum concentrations of 1-methyl-1H-1,2,4-triazole made up 57.3, 44.9 and 13.3 mg kg −1 , of 1-ethyl-1H-1,2,4-triazole — 5.45, 3.66 and 0.66 mg kg −1 , of 1,3-dimethyl-1H-1,2,4-triazole - 24.0, 17.8 and 4.9 mg kg −1 in fall places 1, 2 and 3, respectively. 4-Methyl-4H-1,2,4-triazole was detected only in fall places 2 and 3 where its maximum concentrations made up 4.2 and 0.66 mg kg −1 , respectively. The pollution of soils with transformation products of 1,1-DMH was only detected in epicenters of fall places having a diameter of 8 to10 m where rocket boosters landed. The results of a detailed study of distribution of 1,1-DMH transformation products along the soil profile indicate that transformation products can migrate down to the depth of 120 cm, The highest concentrations of 1,1-DMH transformation products were detected, as a rule, at the depth 20 to 60 cm. However, this index can vary depending on the compound, humidity and physical properties of soil, landscape features and other conditions. In the surface layer, as a rule, only semi-volatile products of transformation were detected which was caused by fast evaporation and biodegradation of volatile metabolites. - Highlights: ► We study metabolites of 1,1-dimethylhydrazine and their distribution in soils. ► Fifty four metabolites can be formed in soils polluted with 1,1-dimethylhydrazine. ► Metabolites are detected in the epicenter having diameter of about 10 m. ► Metabolites can migrate down to the depth of 120 cm. ► Volatile metabolites

  7. Transformation products of 1,1-dimethylhydrazine and their distribution in soils of fall places of rocket carriers in Central Kazakhstan

    Energy Technology Data Exchange (ETDEWEB)

    Kenessov, Bulat, E-mail: bkenesov@gmail.com [Center of Physical Chemical Methods of Research and Analysis, al-Farabi Kazakh National University, 96A Tole Bi st., Almaty, 050012 (Kazakhstan); Alimzhanova, Mereke; Sailaukhanuly, Yerbolat; Baimatova, Nassiba; Abilev, Madi; Batyrbekova, Svetlana [Center of Physical Chemical Methods of Research and Analysis, al-Farabi Kazakh National University, 96A Tole Bi st., Almaty, 050012 (Kazakhstan); Carlsen, Lars [Awareness Center, Linkopingvej 35, Trekroner, DK-4000 Roskilde (Denmark); Department of Chemical Engineering, Kazakh-British Technical University, 59 Tole Bi st., Almaty, 050000 (Kazakhstan); Tulegenov, Akyl; Nauryzbayev, Mikhail [Center of Physical Chemical Methods of Research and Analysis, al-Farabi Kazakh National University, 96A Tole Bi st., Almaty, 050012 (Kazakhstan)

    2012-06-15

    In our research, three fall places of first stages of Proton rockets have been studied for the presence and distribution of transformation products of 1,1-dimethylhydrazine (1,1-DMH). Results of identification of transformation products of 1,1-DMH in real soil samples polluted due to rocket fuel spills allowed to detect 18 earlier unknown metabolites of 1,1-DMH being formed only under field conditions. According to the results of quantitative analyses, maximum concentrations of 1-methyl-1H-1,2,4-triazole made up 57.3, 44.9 and 13.3 mg kg{sup -1}, of 1-ethyl-1H-1,2,4-triazole - 5.45, 3.66 and 0.66 mg kg{sup -1}, of 1,3-dimethyl-1H-1,2,4-triazole - 24.0, 17.8 and 4.9 mg kg{sup -1} in fall places 1, 2 and 3, respectively. 4-Methyl-4H-1,2,4-triazole was detected only in fall places 2 and 3 where its maximum concentrations made up 4.2 and 0.66 mg kg{sup -1}, respectively. The pollution of soils with transformation products of 1,1-DMH was only detected in epicenters of fall places having a diameter of 8 to10 m where rocket boosters landed. The results of a detailed study of distribution of 1,1-DMH transformation products along the soil profile indicate that transformation products can migrate down to the depth of 120 cm, The highest concentrations of 1,1-DMH transformation products were detected, as a rule, at the depth 20 to 60 cm. However, this index can vary depending on the compound, humidity and physical properties of soil, landscape features and other conditions. In the surface layer, as a rule, only semi-volatile products of transformation were detected which was caused by fast evaporation and biodegradation of volatile metabolites. - Highlights: Black-Right-Pointing-Pointer We study metabolites of 1,1-dimethylhydrazine and their distribution in soils. Black-Right-Pointing-Pointer Fifty four metabolites can be formed in soils polluted with 1,1-dimethylhydrazine. Black-Right-Pointing-Pointer Metabolites are detected in the epicenter having diameter of about 10 m

  8. Growth and osmoregulation in Salmo salar L. juveniles 1+, 1½ + and 2+ reared under restrained salinity

    Directory of Open Access Journals (Sweden)

    José Fernando Magalhães Gonçalves

    2013-02-01

    Full Text Available The freshwater phase of Atlantic salmon Salmo salar L vary between one and eight years. The reduction of the freshwater phase is desirable to reduce freshwater usage, human resources and to increase year round availability of pan-sized salmon. Three trials were conducted to investigate the possibility of supply the market in a year-round basis, with pan-sized Atlantic salmon Salmo salar L. (250-300 g in Portugal (southern limit of the natural distribution of this species. This study primarily aimed to compare the osmoregulatory ability and growth of different fish sizes, smolts 1+ (trial 1, 1.5+ (trial 2 and 2+ (trial 3, in freshwater and seawater conditions. Additionally, effects of photoperiod were determined in smolts 1.5+ (trial 2 for both freshwater and seawater groups. The increments in the plasma osmolality and chlorine concentrations after seawater transfer suggest an identical development in the hypo-osmoregulation capacity among the different age classes. In all trials, weight gain was smaller after 30 d of saltwater transfer when compared to fish reared in freshwater. However, the growth depression was temporary. Seawater group showed a compensatory growth in the immediate months, which permitted an improvement in growth rates. At the end of trials there were minor differences on growth performance between freshwater and seawater groups. Specific growth rates varied between 0.7 and 1.0 % day-1, according to the age and /or size and transfer season.

  9. Excited states in 22Mg via the 12C(12C,2n)22Mg reaction

    International Nuclear Information System (INIS)

    Jewett, Cybele; Baktash, Cyrus; Bardayan, Daniel W.; Blackmon, Jeff C.; Chipps, K.; Galindo-Uribarri, Alfredo; Greife, U.; Gross, Carl J.; Jones, K. L.; Liang, Junjien; Livesay, Jake; Kozub, R. L.; Nesaraja, Caroline D; Radford, David C.; Sarazin, F.; Smith, Michael Scott; Thomas, J. S.; Yu, Chang-Hong

    2007-01-01

    The 12C(12C, 2n)22Mg reaction was measured with the CLARION array and the RMS separator at the Holifield Facility of Oak Ridge National Laboratory. This experiment was performed to gather more information on the excited states in 22Mg, which might be of relevance to recent radioactive ion beam measurements of the astrophysically important 21Na(p,γ)22Mg reaction. The results are compared to direct measurements, transfer experiments and a competing experiment performed with Gammasphere

  10. Mifepristone 5 mg versus 10 mg for emergency contraception: double-blind randomized clinical trial

    Directory of Open Access Journals (Sweden)

    Carbonell JL

    2015-01-01

    Full Text Available Josep Lluis Carbonell,1 Ramon Garcia,2 Adriana Gonzalez,2 Andres Breto,2 Carlos Sanchez2 1Mediterranea Medica Clinic, Valencia, Spain; 2Eusebio Hernandez Gynecology and Obstetrics Teaching Hospital, Havana, Cuba Purpose: To estimate the efficacy and safety of 5 mg and 10 mg mifepristone for emergency contraception up to 144 hours after unprotected coitus. Methods: This double-blind randomized clinical trial was carried out at Eusebio Hernandez Hospital (Havana, Cuba. A total of 2,418 women who requested emergency contraception after unprotected coitus received either 5 mg or 10 mg mifepristone. The variables for assessing efficacy were the pregnancies that occurred and the fraction of pregnancies that were prevented. Other variables assessed were the side effects of mifepristone, vaginal bleeding, and changes in the date of the following menstruation. Results: There were 15/1,206 (1.2% and 9/1,212 (0.7% pregnancies in the 5 mg and 10 mg group, respectively (P=0.107. There were 88% and 93% prevented pregnancies in the 5 mg and 10 mg group, respectively. The side effect profiles were similar in both groups. Delayed menstruation ≥7 days was experienced by 4.9% and 11.0% of subjects in the 5 mg and 10 mg group, respectively (P=0.001. There was a significant high failure rate for women weighing >75 kg in the 5 mg group. Conclusion: It would be advisable to use the 10 mg dose of mifepristone for emergency contraception as there was a trend suggesting that the failure rate of the larger dose was lower. Keywords: mifepristone, emergency contraception

  11. Superconducting properties of MgB2 particle impregnated with Mg-based alloys

    International Nuclear Information System (INIS)

    Shimizu, Yusuke; Matsuda, Kenji; Mizutani, Manabu; Nishimura, Katsuhiko; Kawabata, Tokimasa; Ikeno, Susumu; Hishinuma, Yoshimitsu; Aoyama, Shigeki

    2011-01-01

    The three-dimensional penetration method combined with semi-solid casting (SS-3DPC) was utilized to prepare magnesium diboride (MgB 2 ) powder composite materials with various host materials of Mg, Mg-3%Al, Mg-3%Al-1%Zn, Mg-9%Al, and Mg-9%Al-1%Zn. X-ray diffraction measurements indicated predominant peak patterns of MgB 2 and a host alloy, implying that the host material tightly bonded MgB 2 grains without melting the MgB 2 powder. This was confirmed by SEM images. Measured electrical resistivity and magnetization versus temperature showed clear signals of superconducting transition temperature of 27-38 K for all the samples cut out from the billets. Magnetic hysteresis loop observed at 5 K enabled us to estimate a critical current density (J c ) based on the extended Bean model. Additions of aluminum and zinc elements to magnesium host-matrix were found to enhance J c and increase residual resistivity (ρ 0 ) suggesting that aluminum and zinc have an effect on pinning magnetic flux flow for J c enhancement, and scattering conduction electrons for increase of ρ 0 . (author)

  12. Study of interfacial phenomena of organo-chlorinated steam adsorption on a microporous adsorbent. Case of tri chloro-1,1,1 ethane on activated charcoal

    International Nuclear Information System (INIS)

    Escallon, S.

    1991-06-01

    This study involves the construction and the perfecting of a test system for evaluating the service life of organic vapor cartridges versus 1,1,1 -trichloroethane. Thermogravimetric measurements were carried on in order to suggest a field method to reactive these cartridges, using hot air flow system. Assessment of adsorption rate during experiment is measured with a new electrical method. (author)

  13. Eluohtliku tervisekahjustuse tekitamise katse. Riigikohtu kriminaalkolleegiumi otsus 3-1-1-68-12 ja seotud otsus 3-1-1-57-10 / Jaan Sootak

    Index Scriptorium Estoniae

    Sootak, Jaan, 1948-

    2012-01-01

    Kaastäideviimise problemaatikast ning kumulatiivse põhjuslikkuse ja suktsessiivse kaastäideviimise instituutidest Riigikohtu lahendite 3-1-1-68-12 ja 3-1-1-57-10 põhjal. Riigikohus asus seisukohale, et süüdistatavad vastutavad kuriteokatse eest

  14. BIODEGRADATION OF DDT [1,1,1-TRICHLORO-2,2-BIS(4- CHLOROPHENYL) ETHANE] BY THE WHITE ROT FUNGUS PHANEROCHAETE CHRYSOSPORIUM

    Science.gov (United States)

    Extensive biodegradation of 1,1,1-trichloro-2,2-bis(4-chlorophenyl)ethane (DDT) by the white rot fungus Phanerochaete chrysosporium was demonstrated by disappearance and mineralization of [14C]DDT in nutrient nitrogen-deficient cultures. Mass balance studies demonstrated the form...

  15. Soil and Terrain Database for Upper Tana River Catchment (version 1.1) - scale 1:250,000 (SOTER_UT_v1.1)

    NARCIS (Netherlands)

    Dijkshoorn, J.A.; Macharia, P.; Kempen, B.

    2014-01-01

    The Soil and Terrain database for the Upper Tana River Catchment (version 1.1) (SOTER_UT_v1.1) at scale 1:250,000 was compiled to support the Green Water Credits (GWC) programme by creating a primary SOTER dataset for a hydrology assessment of the basin. The Kenya Soil Survey of the Kenya

  16. Lateral and vertical manipulations of single atoms on the Ag(1 1 1) surface with the copper single-atom and trimer-apex tips

    International Nuclear Information System (INIS)

    Xie Yiqun; Yang Tianxing; Ye Xiang; Huang Lei

    2011-01-01

    We study the lateral and vertical manipulations of single Ag and Cu atoms on the Ag(1 1 1) surface with the Cu single-atom and trimer-apex tips using molecular statics simulations. The reliability of the lateral manipulation with the Cu single-atom tip is investigated, and compared with that for the Ag tips. We find that overall the manipulation reliability (MR) increases with the decreasing tip height, and in a wide tip-height range the MR is better than those for both the Ag single-atom and trimer-apex tips. This is due to the stronger attractive force of the Cu tip and its better stability against the interactions with the Ag surface. With the Cu trimer-apex tip, the single Ag and Cu adatoms can be picked up from the flat Ag(1 1 1) surface, and moreover a reversible vertical manipulation of single Ag atoms on the stepped Ag(1 1 1) surface is possible, suggesting a method to modify two-dimensional Ag nanostructures on the Ag(1 1 1) surface with the Cu trimer-apex tip.

  17. Natural and enhanced anaerobic degradation of 1,1,1-trichloroethane and its degradation products in the subsurface – A critical review

    DEFF Research Database (Denmark)

    Scheutz, Charlotte; Durant, Neal D.; Hansen, Maria Heisterberg

    2011-01-01

    1,1,1-Trichloroethane (TCA) in groundwater is susceptible to a variety of natural degradation mechanisms. Evidence of intrinsic decay of TCA in aquifers is commonly observed; however, TCA remains a persistent pollutant at many sites and some of the daughter products that accumulate from intrinsic...

  18. Sudden death involving inhalation of 1,1-difluoroethane (HFC-152a) with spray cleaner: three case reports.

    Science.gov (United States)

    Sakai, Kentaro; Maruyama-Maebashi, Kyoko; Takatsu, Akihiro; Fukui, Kenji; Nagai, Tomonori; Aoyagi, Miwako; Ochiai, Eriko; Iwadate, Kimiharu

    2011-03-20

    Spray cleaner is a cleaning product containing compressed 1,1-difluoroethane (HFC-152a) to blow dust off electric devices and other sensitive equipment; however, it is also inhaled to induce euphoria. This report describes three cases of death involving HFC-152a inhalation with spray cleaner under different circumstances. In case 1, death was during inhalation for euphoria with which led to having frostbite. In case 2, death may have been associated with suicidal intention. Case 3 was also considered an accidental autoerotic death. In all three cases, HFC-152a was detected at 99.2-136.2mg/l in blood samples, 94.5-191.9 mg/l in urine samples and 3.6-18.4 mg in the gastric contents according to gas chromatography with flame ionization detection. To prevent death associated with HFC-152a inhalation from spray cleaner, the danger of the sudden death should be announced to people, given the ready availability of commercial products containing HFC-152a. Copyright © 2010 Elsevier Ireland Ltd. All rights reserved.

  19. New fundamental experimental studies on α-Mg(BH4)2 and other borohydrides

    International Nuclear Information System (INIS)

    Hagemann, Hans; D'Anna, Vincenza; Rapin, Jean-Philippe; Cerny, Radovan; Filinchuk, Yaroslav; Kim, Ki Chul; Sholl, David S.; Parker, Stewart F.

    2011-01-01

    Research highlights: → Eutectic behavior is observed in the LiBH4 -Mg(BH4)2 system. → New INS data show good agreement with theoretical DFT calculations. → Temperature dependent Raman spectra complement previous NMR studies. - Abstract: Several new studies of Mg(BH 4 ) 2 are reported. A 1:1 LiBH 4 :Mg(BH 4 ) 2 mixture was studied by in situ synchrotron X-ray diffraction and reveals an eutectic behavior with the eutectic composition more rich in Mg(BH 4 ) 2 , and the eutectic temperature lower than 456 K. No dual cation compound was observed in this experiment. New vibrational spectra including INS data have been obtained and are compared with theoretical DFT calculations and recent NMR studies, showing good agreement.

  20. New fundamental experimental studies on {alpha}-Mg(BH{sub 4}){sub 2} and other borohydrides

    Energy Technology Data Exchange (ETDEWEB)

    Hagemann, Hans, E-mail: Hans-Rudolf.Hagemann@unige.ch [Dept. de Chim. Phys, Univ. of Geneva (Switzerland); D' Anna, Vincenza [Dept. de Chim. Phys, Univ. of Geneva (Switzerland); Rapin, Jean-Philippe; Cerny, Radovan [Lab. Crystallography, Univ. of Geneva (Switzerland); Filinchuk, Yaroslav [Swiss-Norwegian Beam Lines at ESRF, Grenoble (France); Kim, Ki Chul; Sholl, David S. [School of Chemical and Biomolecular Engineering, Georgia Inst. Technol., Atlanta (United States); Parker, Stewart F. [ISIS Facility, STFC Rutherford Appleton Laboratory, Chilton, Didcot, Oxon OX11 0QX (United Kingdom)

    2011-09-15

    Research highlights: > Eutectic behavior is observed in the LiBH4 -Mg(BH4)2 system. > New INS data show good agreement with theoretical DFT calculations. > Temperature dependent Raman spectra complement previous NMR studies. - Abstract: Several new studies of Mg(BH{sub 4}){sub 2} are reported. A 1:1 LiBH{sub 4}:Mg(BH{sub 4}){sub 2} mixture was studied by in situ synchrotron X-ray diffraction and reveals an eutectic behavior with the eutectic composition more rich in Mg(BH{sub 4}){sub 2}, and the eutectic temperature lower than 456 K. No dual cation compound was observed in this experiment. New vibrational spectra including INS data have been obtained and are compared with theoretical DFT calculations and recent NMR studies, showing good agreement.

  1. Nitridation effects of Si(1 1 1) substrate surface on InN nanorods grown by plasma-assisted molecular beam epitaxy

    Energy Technology Data Exchange (ETDEWEB)

    Feng, Shan [Faculty of Materials Science and Chemistry, China University of Geosciences, Wuhan 430074 (China); Tan, Jin, E-mail: jintan_cug@163.com [Faculty of Materials Science and Chemistry, China University of Geosciences, Wuhan 430074 (China); Engineering Research Center of Nano-Geomaterials of Ministry of Education, China University of Geosciences, Wuhan 430074 (China); Li, Bin; Song, Hao; Wu, Zhengbo; Chen, Xin [Faculty of Materials Science and Chemistry, China University of Geosciences, Wuhan 430074 (China)

    2015-02-05

    Graphical abstract: The morphology evolution of InN nanorods in samples (g)–(i). The alignment of InN nanorods is improved and the deviation angle distribution narrows down with increase in nitriding time. It suggests that extending the nitriding time can enhance the vertical orientation of InN nanorods. - Highlights: • InN nanorods were grown on surface nitrided Si(1 1 1) substrate using PAMBE system. • Nitridation of substrate surface has a strong effect on morphology of InN nanorods. • InN nanorods cannot be formed with 1 min nitridation of Si(1 1 1) substrate. • Increasing nitriding time will increase optimum growth temperature of InN nanorods. • Increasing nitriding time can enhance vertical orientation of InN nanorods. - Abstract: The InN nanorods were grown on Si(1 1 1) substrate by plasma-assisted molecular beam epitaxy (PAMBE) system, with a substrate nitridation process. The effect of nitriding time of Si(1 1 1) substrate on morphology, orientation and growth temperature of InN nanorods was characterized via scanning electron microscopy (SEM) and X-ray diffraction (XRD). The deviation angle of InN nanorods was measured to evaluate the alignment of arrays. The results showed that InN nanorods could not be formed with 1 min nitridation of Si(1 1 1) substrate, but they could be obtained again when the nitriding time was increased to more than 10 min. In order to get aligned InN nanorods, the growth temperature needed to increase with longer nitriding time. The vertical orientation of InN nanorods could be enhanced with increase in nitriding time. The influence of the substrate nitridation on the photoluminescence (PL) spectra of InN nanorods has been investigated.

  2. Investigation of the adsorption properties of borazine and characterisation of boron nitride on Rh(1 1 1) by electron spectroscopic methods

    Energy Technology Data Exchange (ETDEWEB)

    Farkas, A.P., E-mail: arnold.farkas@chem.u-szeged.hu [Department of Physical Chemistry and Materials Science, University of Szeged, Szeged (Hungary); Török, P. [Department of Physical Chemistry and Materials Science, University of Szeged, Szeged (Hungary); Solymosi, F. [MTA–SZTE Reaction Kinetics and Surface Chemistry Research Group, Szeged, Rerrich B. tér 1, H-6720 Szeged (Hungary); Kiss, J. [Department of Physical Chemistry and Materials Science, University of Szeged, Szeged (Hungary); MTA–SZTE Reaction Kinetics and Surface Chemistry Research Group, Szeged, Rerrich B. tér 1, H-6720 Szeged (Hungary); Kónya, Z. [Department of Applied and Environmental Chemistry, University of Szeged, Szeged (Hungary); MTA–SZTE Reaction Kinetics and Surface Chemistry Research Group, Szeged, Rerrich B. tér 1, H-6720 Szeged (Hungary)

    2015-11-01

    Graphical abstract: - Highlights: • We provided fingerprint data by Auger electron spectroscopy that makes it possible to differentiate between adsorbed borazine multilayer and h-BN overlayer. • The strong characteristic surface phonon losses in HREELS indicate the production of well defined boron nitride nanomesh on Rh(1 1 1). • Methoxy species were stable even above room temperature on BN covered Rh(1 1 1) and desorbed from the surface after recombination reactions with hydrogen. - Abstract: The adsorption and dissociation of borazine were investigated on Rh(1 1 1) single crystal surface by Auger electron spectroscopy (AES), high resolution electron energy loss spectroscopy (HREELS) and temperature programmed desorption (TPD) methods. Borazine is one of the most frequently applied precursor molecules in the preparation process of boron nitride overlayer on metal single crystal surfaces. On Rh(1 1 1) surface it adsorbs molecularly at 140 K. We did not find any preferred orientation, although there is evidence of “flat” and perpendicular molecular geometry, too. Dehydrogenation starts even below 200 K and finishes until ∼7–800 K. No other boron or nitrogen containing products were observed in TPD beyond molecular borazine. Through the hydrogen loss of molecules hexagonal boron nitride layer forms in the 600–1100 K temperature range as it was indicated by AES and the characteristic optical phonon HREEL losses of h-BN overlayer. The adsorption behaviour of the boron nitride covered surface was also studied through the adsorption of methanol at 140 K. HREELS and TPD measurements showed that methanol adsorbed molecularly and a fraction of it dissociated to form surface methoxy and gas phase hydrogen on the h-BN/Rh(1 1 1) surface.

  3. Electronic structure of MgB2

    Indian Academy of Sciences (India)

    Abstract. Results of ab initio electronic structure calculations on the compound MgB2 using the. FPLAPW method employing GGA for the exchange-correlation energy are presented. Total energy minimization enables us to estimate the equilibrium volume, c/a ratio and the bulk modulus, all of which are in excellent ...

  4. Electronic structure of MgB 2

    Indian Academy of Sciences (India)

    Results of ab initio electronic structure calculations on the compound MgB2 using the FPLAPW method employing GGA for the exchange-correlation energy are presented. Total energy minimization enables us to estimate the equilibrium volume, / ratio and the bulk modulus, all of which are in excellent agreement with ...

  5. doped LiMgPO4 phosphor

    Indian Academy of Sciences (India)

    attention because of their remarkable luminescence proper- ties and .... Figure 1. (a) X-ray diffraction patterns of LiMgPO4:Tb3+ phosphor and (b) standard data. ICDD file. .... ground signal which affects the signal to noise ratio [17]. MDD was ...

  6. Influences of arc current on composition and properties of MgO thin films prepared by cathodic vacuum arc deposition

    International Nuclear Information System (INIS)

    Zhu Daoyun; Zheng Changxi; Wang Mingdong; Liu Yi; Chen Dihu; He Zhenhui; Wen Lishi; Cheung, W.Y.

    2010-01-01

    MgO thin films with high optical transmittances (more than 90%) were prepared by cathodic vacuum arc deposition technique. With the increase of arc current from 40 to 80 A, the deposition pressure decreases and the film thickness increases; the atomic ratio of Mg/O in MgO thin films (obtained by RBS) increases from 0.97 to 1.17, giving that deposited at 50 A most close to the stoichiometric composition of the bulk MgO; the grains of MgO thin films grow gradually as shown in SEM images. XRD patterns show that MgO (1 1 0) orientation is predominant for films prepared at the arc currents ranged from 50 to 70 A. The MgO (1 0 0) orientation is much enhanced and comparable to that of MgO (1 1 0) for films prepared at the arc current of 80 A. The secondary electron emission coefficient of MgO thin film increases with arc current ranged from 50 to 70 A.

  7. Preliminary study of the characteristics of a high Mg containing Al-Mg-Si alloy

    International Nuclear Information System (INIS)

    Yan, F; McKay, B J; Fan, Z; Chen, M F

    2012-01-01

    An Al-20Mg-4Si high Mg containing alloy has been produced and its characteristics investigated. The as-cast alloy revealed primary Mg 2 Si particles evenly distributed throughout an α-Al matrix with a β-Al 3 Mg 2 fully divorced eutectic phase observed in interdendritic regions. The Mg 2 Si particles displayed octahedral, truncated octahedral, and hopper morphologies. Additions of Sb, Ti and Zr had a refining influence reducing the size of the Mg 2 Si from 52 ± 4 μm to 25 ± 0.1 μm, 35 ± 1 μm and 34 ± 1 μm respectively. HPDC tensile test samples could be produced with a 0.6 wt.% Mn addition which prevented die soldering. Solution heating for 1 hr was found to dissolve the majority of the Al 3 Mg 2 eutectic phase with no evidence of any effect on the primary Mg 2 Si. Preliminary results indicate that the heat treatment has a beneficial effect on the elongation and the UTS.

  8. Investigation of the 24Mg(d, p)25Mg reaction

    NARCIS (Netherlands)

    Meurders, F.; Korte, G. de

    1975-01-01

    Abstract Proton angular distributions from the 24Mg(d, p)25Mg reaction at Ed = 12.0 MeV have been measured with a split-pole magnetic spectrograph for Ex < 6 MeV at an average resolution (FWHM) of 7 keV. New ln values have been determined for three levels. A DWBA analysis yielded spectroscopic

  9. Investigation of the 26Mg(d, p)27Mg reaction

    NARCIS (Netherlands)

    Meurders, F.; Steld, A. van der

    1974-01-01

    The angular distributions of 31 protons groups from the 26Mg(d, p)27Mg reaction have been measured at Ed = 12.0 MeV with a split-pole magnetic spectrograph. Excitation energies have been determined for 29 bound states. Three new levels have been found. A DWBA analysis yields ln values for 19 levels;

  10. Respiratory outcomes following 100 mg/kg v. 200 mg/kg of poractant ...

    African Journals Online (AJOL)

    In keeping with current evidence, the initial dose of poractant alpha was increased from 100 mg/kg to 200 mg/kg. e outcomes of newborns requiring treatment with surfactant before and aer this change were reviewed. Methods. Electronic clinical records were reviewed of infants admitted to ACH who received surfactant ...

  11. Mg/Ca ratio in fertilization and agricultural soils, Mg percent of liming ...

    African Journals Online (AJOL)

    Strong increase of NPK (nitrogen, phosphorus and potassium) in mineral fertilization (fm) included relative delay in Mg supplementation and dilution in plant available silicon (Si) via recycled nutrients (rcl). (Silicon is not included in essential fertilizers in Finland.) Methods: We have assessed old data on Ca and Mg in ...

  12. Decay of a Jπ=36+ Resonance in the 24Mg+24Mg Reaction

    International Nuclear Information System (INIS)

    Salsac, M.-D.; Haas, F.; Courtin, S.

    2005-01-01

    For the 24 Mg+ 24 Mg reaction, striking narrow and correlated resonance structures have been observed previously in the excitation functions of the elastic and low-lying channels. In our study we have decided to focus on the resonance at E C M =45.7 MeV, which is known to have J π =36 + . Despite the very high excitation energy(∼60 MeV) in the 48 Cr composite system, this resonance has a narrow total width of 170 keV. To determine precisely which states in the inelastic 24 Mg channels carry away the resonance flux, an experiment, on the 24 Mg + 24 Mg reaction at energies On and OFF resonance, has been performed at the Legnaro Tandem accelerator using the Prisma fragment spectrometer associated with the CLARA γ array

  13. Adsorption and pathways of single atomistic processes on NbN (0 0 1) and (1 1 1) surfaces: A first-principle study

    International Nuclear Information System (INIS)

    Ren, Yuan; Liu, Xuejie; Tan, Xin; Sun, Shiyang; Wei, Huai; Lu, Feng

    2014-01-01

    Highlights: • We investigate the behaviors of Nb, Si, N atom on NbN(0 0 1) and (1 1 1) surfaces. • The adsorption and diffusion of single atom on NbN(0 0 1) and (1 1 1) were calculated by DFT. • The potential energy surface of single atom on NbN(0 0 1) and (1 1 1) surfaces were investigated. • The diffusion process of single on NbN(0 0 1) and (1 1 1) were calculated by nudged elastic band. - Abstract: The adsorption and pathway processes of atomistic Nb, Si, and N at high-symmetry sites on NbN (0 0 1) and (1 1 1) surfaces were studied using first-principle method, which is based on the density functional theory. This investigation presents some of the results obtained. The potential energy surface (PES) was obtained by calculating the adsorption of Nb, Si, and N atoms on NbN (0 0 1). The most energetic site for the Nb atom adsorbed on NbN(0 0 1) was the site ‘on-top of face–center cubic’ (HL), whereas those for N and Si were both at the site ‘between TopN and HL’ (TopN-HL). The minimum energy paths of the single atom on NbN (0 0 1) surface diffusion were obtained using the PES calculation results. The Nb and Si atoms were diffused from the TopN to the HL position. The N atom was diffused from the TopNb, whereas the TopN–HL to HL position. The diffusion energies of the Nb, Si, and N atoms on the NbN (0 0 1) surface were 0.32, 0.69, and 1.32 eV, respectively. The pathways of the atomistic diffusion involved the diffusion of atoms from the FCC to the HCP site on the NbN (1 1 1) surface. The results showed that the diffusion energy of Si on the Nb layer was smaller than that on the N layer. Si and N can easily form stable structures while bonding on the N layer. Moreover, Si atoms can stabilize the activity of N atoms while promoting the spread of Nb atoms during deposition

  14. An Efficient, Solvent-Free Process for Synthesizing Anhydrous MgCl2

    Energy Technology Data Exchange (ETDEWEB)

    Motkuri, Radha K.; Vemuri, Venkata Rama S.; Barpaga, Dushyant; Schaef, Herbert T.; Loring, John S.; Martin, Paul F.; Lao, David; Nune, Satish K.; McGrail, Bernard P.

    2018-01-02

    A new efficient and solvent-free method for the synthesis of anhydrous MgCl2 from its hexahydrate is proposed. Fluidized dehydration of MgCl2·6H2O feedstock at 200 °C in a porous bed reactor yields MgCl2·nH2O (0 < n < 1), which has a similar diffraction pattern as activated MgCl2. The MgCl2·nH2O is then ammoniated directly using liquefied NH3 in the absence of solvent to form MgCl2·6NH3. Calcination of the hexammoniate complex at 300 °C then yields anhydrous MgCl2. Both dehydration and deammoniation were thoroughly studied using in situ as well as ex situ characterization techniques. Specifically, a detailed understanding of the dehydration process was monitored by in situ PXRD and in situ FTIR techniques where formation of salt with nH2O (n = 4, 2, 1, <1) was characterized. Given the reduction in thermal energy required to produce dehydrated feedstock with this method compared with current strategies, significant cost benefits are expected. Overall, the combined effect of activation, macroporosity, and coordinated water depletion allows the formation of hexammoniate without using solvent, thus minimizing waste formation.

  15. Podocyte changes upon induction of albuminuria in Thy-1.1 transgenic mice.

    NARCIS (Netherlands)

    Smeets, B.; Dijkman, H.B.P.M.; Loeke, N. te; Son, J.P.H.F. van; Steenbergen, E.; Assmann, K.J.M.; Wetzels, J.F.M.; Groenen, P.J.T.A.

    2003-01-01

    BACKGROUND: Thy-1.1 transgenic mice, characterized by ectopic expression of the Thy-1.1 protein on podocytes, spontaneously develop proteinuria and focal glomerulosclerosis (FGS). Injection of a monoclonal antibody (mAb) directed against the Thy-1.1 protein in young transgenic mice induces a massive

  16. 78 FR 21879 - Improving 9-1-1 Reliability; Reliability and Continuity of Communications Networks, Including...

    Science.gov (United States)

    2013-04-12

    ... action in the following areas: (1) 9-1-1 circuit auditing; (2) 9-1-1 service provider central office... remedial actions have these service providers taken, particularly with respect to critical circuit auditing... best practices, what assurances can 9-1-1 service providers make to ensure rigorous implementation on a...

  17. 40 CFR 721.6167 - Piperdinium, 1,1-dimethyl-, chloride.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Piperdinium, 1,1-dimethyl-, chloride... Substances § 721.6167 Piperdinium, 1,1-dimethyl-, chloride. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as piperdinium, 1,1-dimethyl-, chloride. (PMN...

  18. 17 CFR 240.15b1-1 - Application for registration of brokers or dealers.

    Science.gov (United States)

    2010-04-01

    ... of brokers or dealers. 240.15b1-1 Section 240.15b1-1 Commodity and Securities Exchanges SECURITIES... Rules and Regulations Under the Securities Exchange Act of 1934 Registration of Brokers and Dealers § 240.15b1-1 Application for registration of brokers or dealers. (a) An application for registration of...

  19. Mg II Line Variation of 32 Cygni

    Directory of Open Access Journals (Sweden)

    Young Woon Kang

    1992-12-01

    Full Text Available The Mg II lines have been extracted from the IUE archival spectra of 32 Cygni to investigate the effect of the atmospheric eclipse. The UV light curve has been reduced from the continuum flux at the center wavelength of 2807.5 Å in the IUE spectra. The equivalent width of the Mg II k absoption line has been measured for each spectra. The results of the light variation and flux tracing of the absorption line at the vicinity of the primary eclipse confirmed the atmospheric eclipse. The atmospheric effect lasted until the phase 0.06 in the absorptin line tracing, while it lasted until the phase 0.02 in the UV light curve, respectively.

  20. Atomic structure of CaF2/MnF2-Si(1 1 1) superlattices from X-ray diffraction

    International Nuclear Information System (INIS)

    Alcock, Simon G.; Nicklin, C.L.; Howes, P.B.; Norris, C.A.; Kyutt, R.N.; Sokolov, N.S.; Yakovlev, N.L.

    2007-01-01

    X-ray reflectivity and non-specular crystal truncation rod scans have been used to determine the three-dimensional atomic structure of the buried CaF 2 -Si(1 1 1) interface and ultrathin films of MnF 2 and CaF 2 within a superlattice. We show that ultrathin films of MnF 2 , below a critical thickness of approximately four monolayers, are crystalline, pseudomorphic, and adopt the fluorite structure of CaF 2 . High temperature deposition of the CaF 2 buffer layer produces a fully reacted, CaF 2 -Si(1 1 1) type-B interface. The mature, 'long' interface is shown to consist of a partially occupied layer of CaF bonded to the Si substrate, followed by a distorted CaF layer. Our atomistic, semi-kinematical scattering method extends the slab reflectivity method by providing in-plane structural information

  1. Engineering of nearly strain-free ZnO films on Si(1 1 1) by tuning AlN buffer thickness

    International Nuclear Information System (INIS)

    Venkatachalapathy, Vishnukanthan; Galeckas, Augustinas; Lee, In-Hwan; Kuznetsov, Andrej Yu.

    2012-01-01

    ZnO properties were investigated as a function of AlN buffer layer thickness (0–100 nm) in ZnO/AlN/Si(1 1 1) structures grown by metal organic vapor phase epitaxy. A significant improvement of ZnO film crystallinity by tuning AlN buffer thickness was confirmed by x-ray diffraction, topography and photoluminescence measurements. An optimal AlN buffer layer thickness of 50 nm is defined, which allows for growth of nearly strain-free ZnO films. The presence of free excitons at 10 K suggests high crystal quality for all ZnO samples grown on AlN/Si(1 1 1) templates. The intensities of neutral and ionized donor bound exciton lines are found to correlate with the in-plane and out-of-plane strain in the films, respectively.

  2. First-principles investigation into the effect of Cr on the segregation of multi-H at the Fe Σ3 (1 1 1) grain boundary

    Energy Technology Data Exchange (ETDEWEB)

    He, Bingling; Xiao, Wei; Hao, Wei [School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing 100083 (China); Tian, Zhixue, E-mail: tian@cp.prec.eng.osaka-u.ac.jp [Division of Precision Science and Technology and Applied Physics, Graduate School of Engineering, Osaka University, 2-1, Yamada-oka, Suita, Osaka 565-0871 (Japan)

    2013-10-15

    First-principles calculations were carried out to investigate the effect of Cr on segregation of multiple H atoms in the Σ3 (1 1 1) grain boundary in bcc Fe. In the absence of Cr, four H atoms can be trapped at the interstitial site of the Fe grain boundary (areal density: 28 nm{sup −2}), and no H{sub 2} molecules are formed. The presence of Cr, however, suppresses the segregation tendency of H and only two H atoms can be trapped at this grain boundary. Although the volume expansion associated with the segregation of Cr to the grain boundary promotes H segregation, such a booting effect is unable to remedy the repulsion of H resulted from charge density increase in the grain boundary core. As a consequence, Cr mitigates H aggregation at the Σ3 (1 1 1) grain boundary in bcc Fe.

  3. Direct STM evidence of a surface interaction between chiral modifier and pro-chiral reagent: Methylacetoacetate on R, R-tartaric acid modified Ni {1 1 1}

    Science.gov (United States)

    Jones, T. E.; Baddeley, C. J.

    2002-11-01

    The asymmetric hydrogenation of methylacetoacetate to R-methyl-3-hydroxybutyrate over R, R-tartaric acid modified Ni catalysts is a well known example of heterogeneous enantioselective catalysis. Using STM, RAIRS and TPD, we investigate the adsorption of methylacetoacetate on Ni{1 1 1} and R, R-TA modified Ni{1 1 1} in order to shed light on the molecular mechanisms underlying the enantioselective catalysis. We show that methylacetoacetate adsorption can only occur in regions of low R, R-tartaric acid coverage. Once adsorption occurs, methylacetoacetate is able to locally rearrange the tartrate modifiers to produce a two-dimensional co-crystal. We consider the implications of our work in explaining the mechanism of enantioselective hydrogenation in this type of system.

  4. Engineering of nearly strain-free ZnO films on Si(1 1 1) by tuning AlN buffer thickness

    Energy Technology Data Exchange (ETDEWEB)

    Venkatachalapathy, Vishnukanthan, E-mail: vishnukanthan.venkatachalapathy@smn.uio.no [Department of Physics/Centre for Materials Science and Nanotechnology, University of Oslo, P.O. Box 1048 Blindern, NO-0316 Oslo (Norway); Galeckas, Augustinas [Department of Physics/Centre for Materials Science and Nanotechnology, University of Oslo, P.O. Box 1048 Blindern, NO-0316 Oslo (Norway); Lee, In-Hwan [School of Advanced Materials Engineering, Research Centre for Advanced Materials Development (RCAMD), Chonbuk National University, Jeonju 561-756 (Korea, Republic of); Kuznetsov, Andrej Yu. [Department of Physics/Centre for Materials Science and Nanotechnology, University of Oslo, P.O. Box 1048 Blindern, NO-0316 Oslo (Norway)

    2012-05-15

    ZnO properties were investigated as a function of AlN buffer layer thickness (0-100 nm) in ZnO/AlN/Si(1 1 1) structures grown by metal organic vapor phase epitaxy. A significant improvement of ZnO film crystallinity by tuning AlN buffer thickness was confirmed by x-ray diffraction, topography and photoluminescence measurements. An optimal AlN buffer layer thickness of 50 nm is defined, which allows for growth of nearly strain-free ZnO films. The presence of free excitons at 10 K suggests high crystal quality for all ZnO samples grown on AlN/Si(1 1 1) templates. The intensities of neutral and ionized donor bound exciton lines are found to correlate with the in-plane and out-of-plane strain in the films, respectively.

  5. MAGIICAT I. THE Mg II ABSORBER-GALAXY CATALOG

    Energy Technology Data Exchange (ETDEWEB)

    Nielsen, Nikole M.; Churchill, Christopher W. [New Mexico State University, Las Cruces, NM 88003 (United States); Kacprzak, Glenn G.; Murphy, Michael T., E-mail: nnielsen@nmsu.edu [Swinburne University of Technology, Victoria 3122 (Australia)

    2013-10-20

    We describe the Mg II Absorber-Galaxy Catalog, MAGIICAT, a compilation of 182 spectroscopically identified intermediate redshift (0.07 ≤ z ≤ 1.1) galaxies with measurements of Mg II λλ2796, 2803 absorption from their circumgalactic medium within projected distances of 200 kpc from background quasars. In this work, we present 'isolated' galaxies, which are defined as having no spectroscopically identified galaxy within a projected distance of 100 kpc and a line of sight velocity separation of 500 km s{sup –1}. We standardized all galaxy properties to the ΛCDM cosmology and galaxy luminosities, absolute magnitudes, and rest-frame colors to the B- and K-band on the AB system. We present galaxy properties and rest-frame Mg II equivalent width, W{sub r} (2796), versus galaxy redshift. The well-known anti-correlation between W{sub r} (2796) and quasar-galaxy impact parameter, D, is significant to the 8σ level. The mean color of MAGIICAT galaxies is consistent with an Sbc galaxy for all redshifts. We also present B- and K-band luminosity functions for different W{sub r} (2796) and redshift subsamples: 'weak absorbing' [W{sub r} (2796) < 0.3 Å], 'strong absorbing' [W{sub r} (2796) ≥ 0.3 Å], low redshift (z < (z)), and high redshift (z ≥ (z)), where (z) = 0.359 is the median galaxy redshift. Rest-frame color B – K correlates with M{sub K} at the 8σ level for the whole sample but is driven by the strong absorbing, high-redshift subsample (6σ). Using M{sub K} as a proxy for stellar mass and examining the luminosity functions, we infer that in lower stellar mass galaxies, Mg II absorption is preferentially detected in blue galaxies and the absorption is more likely to be weak.

  6. Static quadrupole moment of the first excited state of 24Mg

    International Nuclear Information System (INIS)

    Fewell, M.P.; Hinds, S.; Kean, D.C.; Zabel, T.H.

    1979-01-01

    The static quadrupole moment Qsub(2+) and the B(E2;0 + → 2 + ) value for the first excited state of 24 Mg have been determined using the reorientation effect in Coulomb excitation. Surface barrier detectors at 90 0 and 172 0 were used to detect 24 Mg ions scattered from 208 Pb. It is found that Qsub(2+) = -18.1 +- 1.3 e.fm 2 , suggesting that, contrary to most previous experimental evidence, the quadrupole moment is in agreement with theoretical predictions. For B(E2;0 + → 2 + ) the value 443 +- 24 e 2 . fm 4 was obtained

  7. Growth and structure of Si and Ge in vanadium oxide nanomesh on Pd(1 1 1) studied by STM and DFT

    International Nuclear Information System (INIS)

    Chan, Lap Hong; Hayazaki, Shinji; Ogawa, Kokushi; Yuhara, Junji

    2013-01-01

    Highlights: ► We studied the growth and structure of Si and Ge in vanadium oxide nanomesh on Pd(1 1 1) by STM and DFT calculations. ► All the Si atoms formed isolated Si nanoclusters. ► Some Ge atoms formed monomer Ge nanodots on Pd(1 1 1), while the others formed isolated Ge nanoclusters. - Abstract: The growth of silicon (Si)/germanium (Ge) atoms in a well ordered (4 × 4) vanadium (V) oxide nanomesh on Pd(1 1 1) prepared by ultra-high-vacuum evaporation has been studied by scanning tunneling microscopy (STM) and ab initio density functional theory (DFT) calculations. At the very beginning of the Si deposition, all of the Si atoms deposited were adsorbed on top of the V-oxide nanomesh, forming Si nanoclusters, and each Si atom formed was isolated other Si atoms. Two different adsorption sites for Si atoms were observed by STM. In the case of Ge deposition, some Ge atoms filled the vanadium oxide nanoholes, forming Ge nanodots on Pd(1 1 1), while the others were adsorbed on top of the V-oxide nanomesh, forming isolated Ge nanoclusters. The ab initio DFT total-energy calculations indicated that the Ge atoms occupying the nanohole were more stable than those adsorbed on the nanomesh. The simulated images were highly consistent with the experimental STM images with the exception of the Ge nanodots, which exhibited a large, uniform protrusion in the STM images. Therefore, the adsorbed atom might be mobile in the nanohole at room temperature, possibly as a result of interaction with the STM tip.

  8. AB stacked few layer graphene growth by chemical vapor deposition on single crystal Rh(1 1 1) and electronic structure characterization

    International Nuclear Information System (INIS)

    Kordatos, Apostolis; Kelaidis, Nikolaos; Giamini, Sigiava Aminalragia; Marquez-Velasco, Jose; Xenogiannopoulou, Evangelia; Tsipas, Polychronis; Kordas, George; Dimoulas, Athanasios

    2016-01-01

    Highlights: • Growth of non-defective few layer graphene on Rh(1 1 1) substrates using an ambient- pressure CVD method. • Control of graphene stacking order via the cool-down rate. • Graphene is grown with a mainly AB-stacking geometry on single-crystalline Rhodium for a slow cool-down rate and non-AB for a very fast cool-down. • Good epitaxial orientation of the surface is presented through the RHEED data and confirmed with ARPES characterization for the lower cool-down rate, where graphene's ΓK direction a perfectly aligned with the ΓK direction of the Rh(1 1 1) single crystal. - Abstract: Graphene synthesis on single crystal Rh(1 1 1) catalytic substrates is performed by Chemical Vapor Deposition (CVD) at 1000 °C and atmospheric pressure. Raman analysis shows full substrate coverage with few layer graphene. It is found that the cool-down rate strongly affects the graphene stacking order. When lowered, the percentage of AB (Bernal) -stacked regions increases, leading to an almost full AB stacking order. When increased, the percentage of AB-stacked graphene regions decreases to a point where almost a full non AB-stacked graphene is grown. For a slow cool-down rate, graphene with AB stacking order and good epitaxial orientation with the substrate is achieved. This is indicated mainly by Raman characterization and confirmed by Reflection high-energy electron diffraction (RHEED) imaging. Additional Scanning Tunneling Microscopy (STM) topography data confirm that the grown graphene is mainly an AB-stacked structure. The electronic structure of the graphene/Rh(1 1 1) system is examined by Angle resolved Photo-Emission Spectroscopy (ARPES), where σ and π bands of graphene, are observed. Graphene's ΓK direction is aligned with the ΓK direction of the substrate, indicating no significant contribution from rotated domains.

  9. In-situ transmission electron microscopy study of glissile grain boundary dislocation relaxation in a near Σ = 3 {1 1 1} grain boundary in copper

    International Nuclear Information System (INIS)

    Couzinie, J.P.; Decamps, B.; Boulanger, L.; Priester, L.

    2005-01-01

    An in-situ annealing experiment has been performed on an intergranular dislocation configuration composed only of glissile grain boundary dislocations observed in a near Σ = 3 {1 1 1} grain boundary in copper. Relaxation phenomena are not obvious than those predicted by theoretical models. Upon annealing, glissile intergranular dislocations are shown to overcome dislocation obstacles by node movement leading to a decrease of the total grain boundary energy

  10. AB stacked few layer graphene growth by chemical vapor deposition on single crystal Rh(1 1 1) and electronic structure characterization

    Energy Technology Data Exchange (ETDEWEB)

    Kordatos, Apostolis [National Center for Scientific Research “Demokritos”, Athens, 15310 (Greece); Kelaidis, Nikolaos, E-mail: n.kelaidis@inn.demokritos.gr [National Center for Scientific Research “Demokritos”, Athens, 15310 (Greece); Giamini, Sigiava Aminalragia [National Center for Scientific Research “Demokritos”, Athens, 15310 (Greece); University of Athens, Department of Physics, Section of Solid State Physics, Athens, 15684 Greece (Greece); Marquez-Velasco, Jose [National Center for Scientific Research “Demokritos”, Athens, 15310 (Greece); National Technical University of Athens, Department of Physics, Athens, 15784 Greece (Greece); Xenogiannopoulou, Evangelia; Tsipas, Polychronis; Kordas, George; Dimoulas, Athanasios [National Center for Scientific Research “Demokritos”, Athens, 15310 (Greece)

    2016-04-30

    Highlights: • Growth of non-defective few layer graphene on Rh(1 1 1) substrates using an ambient- pressure CVD method. • Control of graphene stacking order via the cool-down rate. • Graphene is grown with a mainly AB-stacking geometry on single-crystalline Rhodium for a slow cool-down rate and non-AB for a very fast cool-down. • Good epitaxial orientation of the surface is presented through the RHEED data and confirmed with ARPES characterization for the lower cool-down rate, where graphene's ΓK direction a perfectly aligned with the ΓK direction of the Rh(1 1 1) single crystal. - Abstract: Graphene synthesis on single crystal Rh(1 1 1) catalytic substrates is performed by Chemical Vapor Deposition (CVD) at 1000 °C and atmospheric pressure. Raman analysis shows full substrate coverage with few layer graphene. It is found that the cool-down rate strongly affects the graphene stacking order. When lowered, the percentage of AB (Bernal) -stacked regions increases, leading to an almost full AB stacking order. When increased, the percentage of AB-stacked graphene regions decreases to a point where almost a full non AB-stacked graphene is grown. For a slow cool-down rate, graphene with AB stacking order and good epitaxial orientation with the substrate is achieved. This is indicated mainly by Raman characterization and confirmed by Reflection high-energy electron diffraction (RHEED) imaging. Additional Scanning Tunneling Microscopy (STM) topography data confirm that the grown graphene is mainly an AB-stacked structure. The electronic structure of the graphene/Rh(1 1 1) system is examined by Angle resolved Photo-Emission Spectroscopy (ARPES), where σ and π bands of graphene, are observed. Graphene's ΓK direction is aligned with the ΓK direction of the substrate, indicating no significant contribution from rotated domains.

  11. The adsorption of NO on an oxygen pre-covered Pt(1 1 1) surface: in situ high-resolution XPS combined with molecular beam studies

    Science.gov (United States)

    Zhu, J. F.; Kinne, M.; Fuhrmann, T.; Tränkenschuh, B.; Denecke, R.; Steinrück, H.-P.

    2003-12-01

    Adsorption of NO on a Pt(1 1 1) surface pre-covered with a p(2 × 2) atomic oxygen layer has been studied in situ by high-resolution X-ray photoelectron spectroscopy and temperature-programmed XPS using third-generation synchrotron radiation at BESSY II, Berlin, combined with molecular beam techniques and ex situ by low energy electron diffraction and temperature-programmed desorption. O 1s XP spectra reveal that an ordered p(2 × 2)-O layer dramatically changes the adsorption behavior of NO as compared to the clean surface. The atomic oxygen occupies fcc hollow sites, and therefore blocks NO adsorption on these sites, which are energetically preferred on clean Pt(1 1 1). As a consequence, NO populates on-top sites at low coverage. At 110 K for higher coverages, NO can additionally adsorb on hcp hollow sites, thereby inducing a shift of the O 1s binding energy of atomic oxygen towards lower energies by about 0.25 eV. The bond strength of the hcp hollow NO species to the substrate is weakened by the presence of atomic oxygen. A sharp p(2 × 2) LEED pattern is observed for NO adsorption on the oxygen pre-covered surface, up to saturation coverage. The total saturation coverage of NO on Pt(1 1 1) pre-covered with varying amounts of oxygen (below 0.25 ML) decreases linearly with the coverage of oxygen. The initial sticking coefficient of NO is reduced from 0.96 on clean Pt(1 1 1) to 0.88 on a p(2 × 2) oxygen pre-covered surface.

  12. High temperature mechanical forming of Mg alloys

    International Nuclear Information System (INIS)

    Mwembela, A.; McQueen, H.J.; Myshlyaev, M.

    2002-01-01

    Mg alloys are hot worked in the range 180-450 o C and 0.0-10 s -1 ; the present project data are compared with a wide selection of published results. The flow stresses and their dependence on temperature and strain rate are fairly similar to simple Al alloys: however, the hot ductility is much lower (≤3 in torsion). Twinning plays a significant role in Mg alloys almost independently of temperature; the twins initiate at low strains in grains poorly oriented for basal slip and in consequence become well disposed for such slip. As T rises, there is increasing formation of subgrains that spread toward the grain centers from grain and twin boundaries: this is indicative of stress concentrations inducing non-basal sup which helps provide the geometrically necessary dislocations. Above about 240 o C, dynamic (DRX) nucleates at grain and twin boundaries, preferentially at intersections; this again is evidence of non-basal slip that provides the highly misoriented cells. The boundaries in which further strain concentrates producing further DRX. The microstructure remains very heterogeneous compared to the uniform dynamically recovered substructure in Al alloys, thus giving rise to the reduced ductility. These results are employed to interpret the mechanical and microstructural behavior of Mg alloys in extrusion, rolling and forging. (author)

  13. Mg,Ca-ATPase activity under irradiation

    International Nuclear Information System (INIS)

    Ladutin, V.V.; Orlova, V.V.; Lob, P.A.; Gerasiminko, I.V.; Mack, E.I.

    2003-01-01

    Full text: The influence of different doses irradiation at the Mg,Ca-ATPase activity at the rat brain has been investigated. The analyses were made at the apparatus of LKB and Carl-Ceis-Jena firm with help of reagents of Sigma and Boehringer firm. Rats decapitated after 1, 3, 6, 24 and 48 h after action of irradiation. Dose 0.206 C/kg. Erythrocytes. 1 and 3h after irradiation influence- decrease of Mg,Ca-ATPase activity to 86-87% relatively control level, 24 and 48 h - increase of activity to the control level. Dose 0.312 C/kg. Large hemispheres. 1h - decrease of ATPase activity to 90% relatively control, 3h - increase to control level, 24h - fall to 86%, after 48h small increase to 93% relatively control. Dose 9.287 C/kg. Large hemispheres. 1h - sharp fall of Mg, Ca-ATPase activity to 67 % relatively control, increase of activity to 96% after 3h and sharp fall of activity to 64% 6h after action of irradiation. Dose 9.287 C/kg. Cerebellum. 1h - sharp decrease of ATPase activity to 80%. After 3h -sharp increase to 160% relatively control level and sharp fall of ATPase activity to 47% relatively control after 6h. The mechanism of radiation pathology of active ion transport has been discussed

  14. Interstitial Fe in MgO

    CERN Document Server

    Mølholt, T E; Gunnlaugsson, H P; Svane, A; Masenda, H; Naidoo, D; Bharuth-Ram, K; Fanciulli, M; Gislason, H P; Johnston, K; Langouche, G; Ólafsson, S; Sielemann, R; Weyer, G

    2014-01-01

    Isolated Fe-57 atoms were studied in MgO single-crystals by emission Mossbauer spectroscopy following implantation of Mn-57 decaying to Fe-57. Four Mossbauer spectral components were found corresponding to different Fe lattice positions and/or charge states. Two components represent Fe atoms substituting Mg as Fe2+ and Fe3+, respectively; a third component is due to Fe in a strongly implantation-induced disturbed region. The fourth component, which is the focus of this paper, can be assigned to Fe at an interstitial site. Comparison of its measured isomer shift with ab initio calculations suggests that the interstitial Fe is located on, or close to, the face of the rock-salt MgO structure. To harmonize such an assignment with the measured near-zero quadrupole interaction a local motion process (cage motion) of the Fe has to be stipulated. The relation of such a local motion as a starting point for long range diffusion is discussed.

  15. Practical considerations for establishing phase-out dates for CFC-113 and 1,1,1-trichloroethane when used as industrial solvents

    Energy Technology Data Exchange (ETDEWEB)

    Carpenter, Charles [Waste Policy Institute, Blacksburg, VA (United States)

    1992-07-01

    This paper presents information, examples, and opinions leading to the authors conclusions on practical dates for phase-out of 1,1,2-trichloro-1,1,2-trifluoroethane (CFC-113) and 1,1,1 trichloroethane (mythyl chloroform) when used as industrial solvents and cleaners. The dates refer to an expected Amendment to the Montreal Protocol. The paper is based on information obtained from the Department of Energy, the Air Force, from author participation on the United Nations Environmental Panel Solvents, Coatings, and Adhesives Technical Options Committee, and from recent publications. The paper informs the reader of impending legislature, possible impacts of that legislature, and of less obvious requirements which will impact cost of compliance and will extend the time required to reach compliance. The purpose of the paper is show users of CFC-113 and 1,1,1-trichloroethane the legal and moral necessity of rapid phase-out of those chemicals, point the user in the right direction for long-term solutions, and urge lawmakers to balance the need for action with the realities of the technical and economic situation. (author)

  16. Practical considerations for establishing phase-out dates for CFC-113 and 1,1,1-trichloroethane when used as industrial solvents

    International Nuclear Information System (INIS)

    Carpenter, Charles

    1992-01-01

    This paper presents information, examples, and opinions leading to the authors conclusions on practical dates for phase-out of 1,1,2-trichloro-1,1,2-trifluoroethane (CFC-113) and 1,1,1 trichloroethane (mythyl chloroform) when used as industrial solvents and cleaners. The dates refer to an expected Amendment to the Montreal Protocol. The paper is based on information obtained from the Department of Energy, the Air Force, from author participation on the United Nations Environmental Panel Solvents, Coatings, and Adhesives Technical Options Committee, and from recent publications. The paper informs the reader of impending legislature, possible impacts of that legislature, and of less obvious requirements which will impact cost of compliance and will extend the time required to reach compliance. The purpose of the paper is show users of CFC-113 and 1,1,1-trichloroethane the legal and moral necessity of rapid phase-out of those chemicals, point the user in the right direction for long-term solutions, and urge lawmakers to balance the need for action with the realities of the technical and economic situation. (author)

  17. Electronic structure of ferromagnet-insulator interfaces: Fe/MgO and Co/MgO

    Energy Technology Data Exchange (ETDEWEB)

    Mueller, M.

    2007-07-11

    In this thesis the electronic structure of Fe/MgO{sub x} and Co/MgO{sub x} ferromagnet-insulator interfaces, representing material systems which are widely used in magnetic tunnel junctions, is studied by means of spin- and angle-resolved photoemission spectroscopy. The photoemission studies focus particularly on the response of the ferromagnetic electronic system in contact with MgO of varying stoichiometries, as this reflects the mechanisms of metal-oxide bonding at real ferromagnet-insulator interfaces. The correlation between chemical bonding and electronic structure formation is analyzed by combining information from core- and valence-band photoemission spectroscopy. The spectral features are compared to band structure calculations, which are performed using the SPR-KKR method. The Fe/MgO and Co/MgO systems are prepared by molecular beam epitaxy under ultrahigh vacuum conditions on well-defined (4 x 6) GaAs(001) substrates. A structural analysis by means of low-energy electron diffraction (LEED) reveals their body-centered cubic crystalline structure, whereas the chemical characterization by Auger electron spectroscopy is used to quantify the chemical environment at the sample surfaces. The magnetic analysis, using the magneto-optical Kerr effect, reveals the uniaxial anisotropy of the ferromagnetic layers. A crucial parameter is given by the MgO degree of oxidation, which is addressed by means of core-level spectroscopy and quantified by suitable fitting procedures of the Mg 2p core level. The results of the photoemission experiments show, that the electronic structure of the Fe/MgO and Co/MgO ferromagnet/insulator interfaces and, consequently, the interfacial spin polarization are sensitively controlled by the interface chemistry. In particular, three distinct scenarios are identified: the nearly stoichiometric, the oxygen-deficient and the over-oxidized ferromagnet/MgO interface. Each case is defined by innate characteristics of the electronic structure at

  18. Comparison of hydrogen storage properties of pure Mg and milled ...

    Indian Academy of Sciences (India)

    Administrator

    increase the hydriding and dehydriding rates, pure Mg was ground under hydrogen atmosphere (reactive .... Hydrogen storage properties of pure Mg and milled pure Mg. 833. Figure 3. ... elongated and flat shapes via collisions with the steel.

  19. Enhancement of Two-Dimensional Electron-Gas Properties by Zn Polar ZnMgO/MgO/ZnO Structure Grown by Radical-Source Laser Molecular Beam Epitaxy

    Directory of Open Access Journals (Sweden)

    Li Meng

    2015-01-01

    Full Text Available A Zn polar ZnMgO/MgO/ZnO structure with low Mg composition Zn1-xMgxO layer (x = 0.05 grown on a-plane (11–20 sapphire by radical-source laser molecular beam epitaxy was reported. The insertion of a thin (1 nm MgO layer between ZnMgO and ZnO layers in the ZnMgO/ZnO 2DEG structures results in an increase of 2DEG sheet density and affects electron mobility slightly. The carrier concentration reached a value as high as 1.1 × 1013 cm−2, which was confirmed by C-V measurements. A high Hall mobility of 3090 cm2/Vs at 10 K and 332 cm2/Vs at RT was observed from Zn0.95Mg0.05O/MgO/ZnO heterostructure. The choice of the thickness of MgO was discussed. The dependence of carrier sheet density of 2DEG on ZnMgO layer thickness was calculated in theory and the theoretical prediction and experimental results agreed well.

  20. A 2-1-1 research collaboration: participant accrual and service quality indicators.

    Science.gov (United States)

    Eddens, Katherine S; Alcaraz, Kassandra I; Kreuter, Matthew W; Rath, Suchitra; Greer, Regina

    2012-12-01

    In times of crises, 2-1-1 serves as a lifeline in many ways. These crises often cause a spike in call volume that can challenge 2-1-1's ability to meet its service quality standards. For researchers gathering data through 2-1-1s, a sudden increase in call volume might reduce accrual as 2-1-1 has less time to administer study protocols. Research activities imbedded in 2-1-1 systems may affect directly 2-1-1 service quality indicators. Using data from a 2-1-1 research collaboration, this paper examines the impact of crises on call volume to 2-1-1, how call volume affects research participant accrual through 2-1-1, and how research recruitment efforts affect 2-1-1 service quality indicators. t-tests were used to examine the effect of call volume on research participant accrual. Linear and logistic regressions were used to examine the effect of research participant accrual on 2-1-1 service quality indicators. Data were collected June 2010-December 2011; data were analyzed in 2012. Findings from this collaboration suggest that crises causing spikes in call volume adversely affect 2-1-1 service quality indicators as well as accrual of research participants. Administering a brief (2-3 minute) health risk assessment did not affect service quality negatively, but administering a longer (15-18 minute) survey had a modest adverse effect on these indicators. In 2-1-1 research collaborations, both partners need to understand the dynamic relationship among call volume, research accrual, and service quality and adjust expectations accordingly. If research goals include administering a longer survey, increased staffing of 2-1-1 call centers may be needed to avoid compromising service quality. Copyright © 2012 American Journal of Preventive Medicine. Published by Elsevier Inc. All rights reserved.

  1. Discharge behaviour of Mg-Al-Pb and Mg-Al-Pb-In alloys as anodes for Mg-air battery

    International Nuclear Information System (INIS)

    Wang, Naiguang; Wang, Richu; Peng, Chaoqun; Peng, Bing; Feng, Yan; Hu, Chengwang

    2014-01-01

    Highlights: • We investigate the effect of indium on the discharge behaviour of Mg-Al-Pb alloy. • We evaluate the performance of Mg-air batteries with Mg-Al-Pb and Mg-Al-Pb-In anodes. • We analyze the activation mechanism of Mg-Al-Pb-In alloy in the discharge process. - Abstract: The discharge behaviour of Mg-Al-Pb and Mg-Al-Pb-In alloys in 3.5 wt.% NaCl solution is investigated by electrochemical techniques, and compared with that of pure magnesium. The results show that Mg-Al-Pb-In alloy provides a more negative potential and exhibits a higher utilization efficiency in contrast with Mg-Al-Pb alloy and pure magnesium during the half-cell test at a large current density, and gives desirable discharge performance when used as anode for Mg- air battery. The peak power density of the Mg-air battery with Mg-Al-Pb-In anode is 94.5 mW cm −2 , which is comparable with those of Mg-H 2 O 2 semi-fuel batteries. Moreover, the activation mechanism of Mg-Al-Pb-In alloy during the discharge process is also analyzed

  2. Proton resonance elastic scattering of $^{30}$Mg for single particle structure of $^{31}$Mg

    CERN Multimedia

    The single particle structure of $^{31}$Mg, which is located in the so-called “island of inversion”, will be studied through measuring Isobaric Analog Resonances (IARs) of bound states of $^{31}$Mg. They are located in the high excitation energy of $^{31}$Al. We are going to determine the spectroscopic factors and angular momenta of the parent states by measuring the excitation function of the proton resonance elastic scattering around 0 degrees in the laboratory frame with around 3 MeV/nucleon $^{30}$Mg beam. The present study will reveal the shell evolution around $^{32}$Mg. In addition, the spectroscopic factor of the (7/2)$^{−}$ state which was not yet determined experimentally, may allow one to study the shape coexistence in this nucleus.

  3. Applications of thermodynamic calculations to Mg alloy design: Mg-Sn based alloy development

    International Nuclear Information System (INIS)

    Jung, In-Ho; Park, Woo-Jin; Ahn, Sang Ho; Kang, Dae Hoon; Kim, Nack J.

    2007-01-01

    Recently an Mg-Sn based alloy system has been investigated actively in order to develop new magnesium alloys which have a stable structure and good mechanical properties at high temperatures. Thermodynamic modeling of the Mg-Al-Mn-Sb-Si-Sn-Zn system was performed based on available thermodynamic, phase equilibria and phase diagram data. Using the optimized database, the phase relationships of the Mg-Sn-Al-Zn alloys with additions of Si and Sb were calculated and compared with their experimental microstructures. It is shown that the calculated results are in good agreement with experimental microstructures, which proves the applicability of thermodynamic calculations for new Mg alloy design. All calculations were performed using FactSage thermochemical software. (orig.)

  4. Green emission from ZnO–MgO nanocomposite due to Mg diffusion at the interface

    International Nuclear Information System (INIS)

    Sowri Babu, K.; Ramachandra Reddy, A.; Venugopal Reddy, K.

    2015-01-01

    The origin and electronic transitions responsible for green emission observed from ZnO–MgO nanocomposite are investigated. The photoluminescence (PL) spectrum of ZnO–MgO nanocomposite annealed at 600 °C showed only a sharp and intense UV emission peak centered at 396 nm. As the annealing temperature increased from 600 °C to 1000 °C, the green emission positioned at 503 nm is emerged and its intensity enhanced gradually and reached maximum value at 900 °C and then decreased at 1000 °C. It is observed that both UV and green emission intensities are enhanced with variation of atomic ratio (Zn/Mg=1.52, 0.50, 0.30, 0.21, 0.15). Our experiments confirmed that the enhancement of green emission intensity is due to the formation of oxygen vacancies (V o ) due to Mg doping at the interface of ZnO and MgO. This experimental observation is in good agreement with the recent theoretical predictions which states that Mg doping in ZnO lowers the formation energies of oxygen vacancies (V o ) and zinc interstitials (Zn i ) significantly. PL excitation and emission spectra analysis reveals that excited state for both UV and green emissions is same and lies 0.24 eV below the conduction band of ZnO. Hence, the green emission is attributed to the transition of an electron form the shallow donor (defect level of Zn i ) to the deep acceptor (defect level of V o ). - Highlights: • It is found that the UV emission intensity from ZnO–MgO nanocomposite enhanced with increase of Mg concentration. • The intensity of the green emission is enhanced gradually as the temperature increased from 600 °C to 900 °C and then decreased at 1000 °C. • The effect of Mg concentration, MgO, strain at the interface on green emission is investigated. • These experiments confirmed that green emission is due to the oxygen vacancies created in ZnO due to the Mg doping at the interface and it is in good agreement with the theoretical predictions. • The decrease of green emission intensity is

  5. Thermoluminescence studies of γ-irradiated ZnO:Mg"2"+ nanoparticles

    International Nuclear Information System (INIS)

    Pushpa, N.; Kokila, M.K.; Nagabhushana, K.R.

    2016-01-01

    Pure and Mg"2"+ doped ZnO nanoparticles are synthesized by solution combustion method. X-ray diffraction studies of the samples confirm hexagonal phase. Crystallite size is calculated using Scherer formula and found to be ∼30 nm for undoped ZnO and 34–38 nm for Mg"2"+ doped ZnO. A broad PL emission in the range 400–600 nm with peaks at 400, 450, 468, 483, 492, 517, 553 nm are observed in both pure and Mg"2"+ doped nanoparticles. Near band edge emission of ZnO is observed at 400 nm. The broad band emissions are due to surface defects. PL emission intensity is found to increase with Mg"2"+ concentration up to 1.5 mol% and then decreases due to concentration quenching. Samples are irradiated with γ-rays in a dose range 0.05–8 kGy. Gamma irradiation doesn’t affect PL properties. Undoped samples exhibit unstructured low intense TL glow with peak at 720 K. Whereas Mg"2"+ doped samples exhibit well structured TL glow curves with peak at ∼618 K. TL glow peak intensity of Mg"2"+ doped samples increases with Mg"2"+ concentration up to 2 mol%, thereafter decreases. TL curves of Mg"2"+ (2 mol%) doped ZnO exhibit two glows, a high intense peak at 618 K and a weak one with peak at ∼485 K. TL intensity of Mg"2"+ (2 mol%) doped ZnO samples increases with gamma dose up to 1 kGy and then decreases. Kinetic parameters of TL glows are calculated by deconvolution technique. Activation energy and frequency factor are found to be 1.5 eV and 3.38 × 10"1"1 s"−"1 respectively.

  6. Hydrogeochemical evaluation of the Simpevarp area, model version 1.1

    Energy Technology Data Exchange (ETDEWEB)

    Laaksoharju, Marcus (ed.) [Geopoint AB, Stockholm (Sweden); Smellie, John [Conterra AB, Uppsala (Sweden); Gimeno, Maria; Auque, Luis; Gomez, Javier [Univ. of Zaragoza (Spain). Dept. of Earth Sciences; Tullborg, Eva-Lena [Terralogica AB, Graabo (Sweden); Gurban, Ioana [3D-Terra (Sweden)

    2004-02-01

    of the groundwaters are brackish (Cl < 5000 mg/L), except for three samples from KSH01A (at 253 m and 439 m depth) which are saline. Most surface waters are of Ca-HCO3 or Na-Ca-HCO3 type and naturally the sea water is of Na-Cl type. The deeper groundwaters are mainly of Na-Ca-Cl type. The modelling indicated three water types, one dominated by meteoric water, the other affected by marine water and the third affected by glacial water. The surface meteoric type shows seasonal variations. Closer to the coast the influence of marine water is detected. With depth the saline groundwater has been affected by glacial melt water and meteoric water. The present state of knowledge of the reactive system is that the main water-rock interaction processes that affect the chemistry in the fresh meteoric waters are: a) decomposition of organic matter, b) calcite, plagioclase, biotite and sulphide dissolution, c) Na-Ca ion exchange, and d) phyllosilicate precipitation probably extremely slow in the present low temperature environment. In contrast, for the brackish-saline groundwater the water/rock interaction processes seem to be less important although this has not been established because of a lack of data. At the moment, multiple end-member mixing between marine water, glacial meltwater and deeper saline water seem to play a significant role. Based on presently available data, the groundwater sample at 250 m depth, although not representative of repository depths, met the groundwater criterion established by SKB concerning the measured Eh, pH, TDS and Ca+Mg values. The redox system at this depth is controlled by the presence of iron oxides/iron hydroxides or sulphide minerals. In this evaluation the postglacial groundwater scenario model has been updated, the salinity distribution, mixing processes and the major reactions altering the groundwaters have been modelled down to a depth of 250 m and a new Hydrogeochemical Site Descriptive Model version 1.1 has been produced. A 3D

  7. Corrosion analysis of AlMg2 and AlMgSi using electrochemical method

    International Nuclear Information System (INIS)

    Dian A; Maman Kartaman; Rosika K; Yanlinastuti

    2014-01-01

    Corrosion test of cladding materials and structures of research reactor fuel, AlMgSi and AlMg2 have been performed in demineralized water of pH 2 and 6.7 using an electrochemical method. Corrosion phenomenon is affected by several factor such as composition and condition of solution. The purpose of this activity is to investigate the corrosion phenomena through the determination of the parameters of corrosion and polarization curve. The materials used are AlMg2 and AlMgSi alloy in circular dish shape with an area of 1 Cm"2. Preparation of the test sample is performed through several stages polishing, cleaning and drying procedures followed ASTM G3. The electrochemical method is done by measuring the open circuit potential (OCP), polarization resistance and potentiodynamic in demineralized water of pH 2 and pH 6.7 at temperature of 25°C. The results of the OCP is the corrosion potential (Ecorr) of AlMg2 and AlMgSi each of -906.1 mV and -619.8 mV at pH 2 and -868.6 and -756.7 mV at pH 6.7 mV. The results of measurements by polarization resistance technique showed that the corrosion rate of AlMg2 and AlMgSi in safe category (<2 mpy) at pH 6.7 and at pH 2 corrosion rate increased significantly, but still in the lightweight category (<20 mpy). Potentiodynamic curves showed that the passivation at pH 6.7 is very low while the passivation at pH 2 occurs within a relatively short range potential and followed events corroded. (author)

  8. Phase I dose-escalation study to examine the safety and tolerability of LY2603618, a checkpoint 1 kinase inhibitor, administered 1 day after pemetrexed 500 mg/m(2) every 21 days in patients with cancer.

    Science.gov (United States)

    Weiss, Glen J; Donehower, Ross C; Iyengar, Tara; Ramanathan, Ramesh K; Lewandowski, Karen; Westin, Eric; Hurt, Karla; Hynes, Scott M; Anthony, Stephen P; McKane, Scott

    2013-02-01

    This phase I study aims at assessing the safety and tolerability of LY2603618, a selective inhibitor of Checkpoint Kinase 1, in combination with pemetrexed and determining the maximum tolerable dose and the pharmacokinetic parameters. This was an open-label, multicenter, dose-escalation study in patients with advanced solid tumors. Increasing doses of LY2603618 (40-195 mg/m(2)) were combined with 500 mg/m(2) of pemetrexed. LY2603618 was administered on Days 1 and 9 and pemetrexed on Day 8 in a 28-day cycle. For all subsequent 21-day cycles, pemetrexed was administered on Day 1 and LY2603618 on Day 2. Antitumor activity was evaluated as per Response Evaluation Criteria in Solid Tumors 1.0. A total of 31 patients were enrolled into six cohorts (three at 40 mg/m(2) over 4.5-hour infusion, 1-hour infusion in subsequent cohorts: three each at 40 mg/m(2), 70 mg/m(2), and 195 mg/m(2); 13 at 105 mg/m(2); six at 150 mg/m(2)). Four patients experienced a dose-limiting toxicity: diarrhea (105 mg/m(2)); reversible infusion-related reaction (150 mg/m(2)); thrombocytopenia (195 mg/m(2)); and fatigue (195 mg/m(2)). The maximum tolerated dose was defined as 150 mg/m(2). The pharmacokinetic data demonstrated that the exposure of LY2603618 increased in a dose-dependent manner, displayed a suitable half-life for maintaining required human exposures while minimizing the intra- and inter-cycle accumulation, and was unaffected by the pemetrexed administration. The pharmacokinetic-defined biologically efficacious dose was achieved at doses ≥105 mg/m(2). LY2603618 administered approximately 24 h after pemetrexed showed acceptable safety and pharmacokinetic profiles.

  9. Incidence of infection in 39-month-old ewes with TMEM154 diplotypes "1 1," "1 3," and "3 3" after natural exposure to ovine progressive pneumonia virus.

    Science.gov (United States)

    Leymaster, K A; Chitko-McKown, C G; Heaton, M P

    2015-01-01

    Production and well-being of sheep and goats in many countries are harmfully impacted by small ruminant lentiviruses (SRLV) that cause incurable, progressive diseases. Susceptibility to ovine progressive pneumonia virus (OPPV), the North American form of SRLV, is influenced by variants of the ovine transmembrane protein 154 gene (TMEM154). The experimental objective was to estimate additive and dominance effects of TMEM154 haplotypes 1 and 3 on susceptibility of breeding ewes to infection after natural exposure to OPPV from birth to 39 mo of age. Sires and dams were heterozygous for TMEM154 haplotypes 1 and 3, producing ewe lambs with diplotypes "1 1," "1 3," and "3 3." These lambs were raised by mature, infected dams to ensure natural, maternal exposure to OPPV. Ewe lambs (n = 108) were kept for breeding and joined an infected flock of ewes to guarantee natural, nonmaternal exposure to OPPV. Ewes were bred to lamb at 1, 2, and 3 yr of age. Serum samples were collected at breeding, 1 mo before lambing and shortly after weaning each year to monitor infection status to 39 mo of age. During the experiment, 9 of the 108 ewes died while uninfected and data collected on these ewes were not analyzed. Infection status of the remaining 99 ewes at 39 mo of age was analyzed using logistic regression procedures. Effects of ewe type of birth, ewe type of rearing, and breed type of dam were not detected (P > 0.10), and the estimated sire variance component was nil. Ewe diplotype affected infection status (P ewes with diplotypes "1 1," "1 3," and "3 3" were 0.10, 0.88, and 0.89, respectively, and confidence intervals for diplotypes "1 3" and "3 3" were distinct from "1 1." Haplotype 3 was completely dominant to haplotype 1 at 39 mo of age. The probability of infection for ewes with either diplotype "1 3" or "3 3" averaged 8.5 times that of ewes with diplotype "1 1." Diplotype "1 3" and "3 3" ewes were highly susceptible to nonmaternal transmission of OPPV, in contrast to

  10. Electronic structure and topography of annealed SrTiO3(1 1 1) surfaces studied with MIES and STM

    International Nuclear Information System (INIS)

    Goemann, Anissa; Goemann, Karsten; Frerichs, Martin; Kempter, Volker; Borchardt, Guenter; Maus-Friedrichs, Wolfgang

    2005-01-01

    Perovskites of ABO 3 type like strontium titanate (SrTiO 3 ) are of great practical concern as materials for oxygen sensors operating at high temperatures. It is well known that the surface layer shows different properties compared to the bulk. Numerous studies exist for the SrTiO 3 (1 0 0) and (1 1 0) surfaces which have investigated the changes in the electronic structure and topography as a function of the preparation conditions. They have indicated a rather complex behaviour of the surface and the near surface region of SrTiO 3 at elevated temperatures. Up to now, the behaviour of the SrTiO 3 (1 1 1) surfaces under thermal treatment is not sufficiently known. This contribution is intended to work out the relation between alteration of the surface topography with respect to the preparation conditions and the simultaneous changes of the electronic structure. We applied scanning tunneling microscopy (STM) to investigate the surface topography and, additionally, metastable impact electron spectroscopy (MIES) to study the surface electronic structure of reconstructed SrTiO 3 (1 1 1) surfaces. The crystals were heated up to 1000 deg. C under reducing and oxidizing conditions. Both preparation conditions cause strong changes of the surface topography and electronic structure. A microfaceting of the topmost layers is found

  11. Growth mode, magnetic and magneto-optical properties of pulsed-laser-deposited Au/Co/Au(1 1 1) trilayers

    International Nuclear Information System (INIS)

    Clavero, C.; Cebollada, A.; Armelles, G.; Fruchart, O.

    2010-01-01

    The growth mode, magnetic and magneto-optical properties of epitaxial Au/Co/Au(1 1 1) ultrathin trilayers grown by pulsed-laser deposition (PLD) under ultra-high vacuum are presented. Sapphire wafers buffered with a single-crystalline Mo(1 1 0) buffer layer were used as substrates. Owing to PLD-induced interfacial intermixing at the lower Co/Au(1 1 1) interface, a close-to layer-by-layer growth mode is promoted. Surprisingly, despite this intermixing, ferromagnetic behavior is found at room temperature for coverings starting at 1 atomic layer (AL). The films display perpendicular magnetization with anisotropy constants reduced by 50% compared to TD-grown or electrodeposited films, and with a coercivity more than one order of magnitude lower (≤5mT). The magneto-optical (MO) response in the low Co thickness range is dominated by Au/Co interface contributions. For thicknesses starting at 3 AL Co, the MO response has a linear dependence with the Co thickness, indicative of a continuous-film-like MO behavior.

  12. A study on preparation and hydriding of β-Mg2Al3 and γ-Mg17Al12

    International Nuclear Information System (INIS)

    Hadi Suwarno

    2009-01-01

    The mechanism of the synthetic formation of β-Mg 2 Al 3 and γ-Mg 17 Al 12 has been studied. Mechanical alloying of Mg and Al powders with the atomic ratio of Mg:Al = 2:3 in toluene solution yields β-Mg 2 Al 3 compound after milling for 30 h. The γ-Mg 17 Al 12 can be formed by heating the β-Mg 2 Al 3 at 430°C under high vacuum. The measured hydrogen capacities of β-Mg 2 Al 3 and γ-Mg 17 Al 12 as hydride at 300°C are 3.2 and 4.9 wt%, respectively. Microstructure of the Mg-Al specimen shows that on hydriding at 300°C the polygonal shape of the γ-Mg 17 Al 12 changes into irregular shapes which are composed of γ-MgH 2 and Al. (author)

  13. Hydrogen absorption kinetics and structural properties of Mg85Ni10Ca5 and Mg90Ni10

    International Nuclear Information System (INIS)

    Aoki, Masakazu; Saito, Katsushi; Towata, Shin-ichi

    2005-01-01

    Mg 85 Ni 10 Ca 5 and Mg 90 Ni 10 were prepared by melting mixtures of the elements in mild steel crucibles and pouring them into copper molds. Hydrogen absorption kinetics and structural properties of the alloys were characterized by the volumetric method using a Sievert's apparatus, X-ray diffraction (XRD), scanning electron microscopy (SEM) and transmission electron microscopy (TEM). The crystallite size of Mg in Mg 85 Ni 10 Ca 5 , which is evaluated by XRD peak broadening, is about 50% smaller than that in Mg 90 Ni 10 . In addition, the nanometer-scale structure composed of Mg, Mg 2 Ni, Mg 2 Ca was observed in Mg 85 Ni 10 Ca 5 . Mg 85 Ni 10 Ca 5 shows better hydrogen absorption kinetics than Mg 90 Ni 10 in the temperature range of room temperature to 573 K. The better absorption kinetics of Mg 85 Ni 10 Ca 5 is mainly attributed to the nanometer-scale structure

  14. Variations of force constants, M-O distances and bond order in solid solutions between Ba/sub 2/MgUO/sub 6/ and Ba/sub 2/MgWO/sub 6/

    Energy Technology Data Exchange (ETDEWEB)

    Kemmler-Sack, S; Fadini, A [Tuebingen Univ. (Germany, F.R.). Inst. fuer Chemie

    1977-12-01

    In solid solutions between the 1:1 ordered perovskites Ba/sub 2/MgUO/sub 6/ and Ba/sub 2/MgWO/sub 6/ (system Ba/sub 2/MgUsub(1-x)Wsub(x)O/sub 6/) the force constants of the UO/sub 6/ and WO/sub 6/ octahedras are variied. The valence force constants fsub(MO) tend to adjust for each x. The bond order and the M-O distances are reported as well.

  15. A validated method for the quantitation of 1,1-difluoroethane using a gas in equilibrium method of calibration.

    Science.gov (United States)

    Avella, Joseph; Lehrer, Michael; Zito, S William

    2008-10-01

    1,1-Difluoroethane (DFE), also known as Freon 152A, is a member of a class of compounds known as halogenated hydrocarbons. A number of these compounds have gained notoriety because of their ability to induce rapid onset of intoxication after inhalation exposure. Abuse of DFE has necessitated development of methods for its detection and quantitation in postmortem and human performance specimens. Furthermore, methodologies applicable to research studies are required as there have been limited toxicokinetic and toxicodynamic reports published on DFE. This paper describes a method for the quantitation of DFE using a gas chromatography-flame-ionization headspace technique that employs solventless standards for calibration. Two calibration curves using 0.5 mL whole blood calibrators which ranged from A: 0.225-1.350 to B: 9.0-180.0 mg/L were developed. These were evaluated for linearity (0.9992 and 0.9995), limit of detection of 0.018 mg/L, limit of quantitation of 0.099 mg/L (recovery 111.9%, CV 9.92%), and upper limit of linearity of 27,000.0 mg/L. Combined curve recovery results of a 98.0 mg/L DFE control that was prepared using an alternate technique was 102.2% with CV of 3.09%. No matrix interference was observed in DFE enriched blood, urine or brain specimens nor did analysis of variance detect any significant differences (alpha = 0.01) in the area under the curve of blood, urine or brain specimens at three identical DFE concentrations. The method is suitable for use in forensic laboratories because validation was performed on instrumentation routinely used in forensic labs and due to the ease with which the calibration range can be adjusted. Perhaps more importantly it is also useful for research oriented studies because the removal of solvent from standard preparation eliminates the possibility for solvent induced changes to the gas/liquid partitioning of DFE or chromatographic interference due to the presence of solvent in specimens.

  16. [14C]-radiolabeling of {[trans-(8β)]-6-methyl-1-(1-methylethyl) ergoline-8-carboxylic acid, 4-methoxycyclohexyl ester (Z)-2-buteneidioate (1:1)}

    International Nuclear Information System (INIS)

    Marzoni, G.; Wheeler, W.J.; Garbrecht, W.L.

    1988-01-01

    The 5HT 2 -receptor antagonist, [ 14 C]-labeled brace[trans-(8β)]-6-methyl-1-(1-methylethyl)ergoline-8-carboxylic acid, 4-methoxycyclohexyl ester (Z)-2-butenedioate (1:1)brace (LY281067) was synthesized from unlabeled 6-methyl-1-(1-methylethyl)ergoline-8-carboxylic acid. The [ 14 C] label was introduced into the carboxyl group attached to the 8 position of the ergoline nucleus. This site is stable to metabolism. The synthesis involves removal of an unlabeled carboxyl group and subsequent reinsertion of a [ 14 C]-labeled carboxyl group into the same position. The radiolabel is not introduced until near the end of the synthesis which allows for ease of handling and scale-up of intermediates. (author)

  17. Study of the adsorption, electronic structure and bonding of C2H4 on the FeNi(1 1 1) surface

    International Nuclear Information System (INIS)

    Simonetti, S.; Brizuela, G.; Juan, A.

    2010-01-01

    The adsorption of C 2 H 4 on the FeNi(1 1 1) alloy surface has been studied by ASED-MO tight binding calculations. The C 2 H 4 molecule presents its most stable geometry with the C=C bond axis parallel to the surface along the [1, -1, 0] direction, bonded on top Fe atom and bonded along a Fe-Fe bridge site. As a consequence, the strength of the local Fe-Fe bond decreases between 37 and 62% of its original bulk value. This bond weakening is mainly due to the new C-Fe interactions however no Fe 3 C carbide formation is evidenced on surface. The Fe-Ni and Ni-Ni superficial bonds are only slightly modified.

  18. Selective area growth of InAs nanowires from SiO2/Si(1 1 1) templates direct-written by focused helium ion beam technology

    Science.gov (United States)

    Yang, Che-Wei; Chen, Wei-Chieh; Chou, Chieh; Lin, Hao-Hsiung

    2018-02-01

    We report on the selective area growth of InAs nanowires on patterned SiO2/Si (1 1 1) nano-holes, prepared by focused helium ion beam technology. We used a single spot mode, in which the focused helium ion beam was fixed on a single point with a He+-ion dosage, ranging from 1.5 pC to 8 pC, to drill the nano-holes. The smallest hole diameter achieved is ∼8 nm. We found that low He+-ion dosage is able to facilitate the nucleation of (1 1 1)B InAs on the highly mismatched Si, leading to the vertical growth of InAs nanowires (NWs). High He-ion dosage, on the contrary, severely damaged Si surface, resulting in tilted and stripe-like NWs. In addition to titled NW grown from (1 1 1)A InAs domain, a new titled growth direction due to defect induced twinning was observed. Cross-sectional TEM images of vertical NWs show mixed wurtizite (WZ) and zincblende (ZB) phases, while WZ phase dominants. The stacking faults resulting from the phase change is proportional to NW diameter, suggesting that the critical diameter of phase turning is larger than 110 nm, the maximum diameter of our NWs. Period of misfit dislocation at the InAs/Si interface of vertical NW is also found larger than the theoretical value when the diameter of heterointerface is smaller than 50 nm, indicating that the small contact area is able to accommodate the large lattice and thermal mismatch between InAs and Si.

  19. LATE-TIME EVOLUTION OF COMPOSITE SUPERNOVA REMNANTS: DEEP CHANDRA OBSERVATIONS AND HYDRODYNAMICAL MODELING OF A CRUSHED PULSAR WIND NEBULA IN SNR G327.1-1.1

    Energy Technology Data Exchange (ETDEWEB)

    Temim, Tea [Observational Cosmology Lab, Code 665, NASA Goddard Space Flight Center, Greenbelt, MD 20771 (United States); Slane, Patrick [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138 (United States); Kolb, Christopher; Blondin, John [North Carolina State University, 421 Riddick Hall, Raleigh, NC 27695 (United States); Hughes, John P. [Rutgers University, 57 US Highway 1, New Brunswick, NJ 08901 (United States); Bucciantini, Niccoló [INAF Osservatorio Astrofisico di Arcetri, Largo Enrico Fermi, 5, 50125, Firenze Italy (Italy)

    2015-07-20

    In an effort to better understand the evolution of composite supernova remnants (SNRs) and the eventual fate of relativistic particles injected by their pulsars, we present a multifaceted investigation of the interaction between a pulsar wind nebula (PWN) and its host SNR G327.1-1.1. Our 350 Chandra X-ray observations of SNR G327.1-1.1 reveal a highly complex morphology: a cometary structure resembling a bow shock, prong-like features extending into large arcs in the SNR interior, and thermal emission from the SNR shell. Spectral analysis of the non-thermal emission offers clues about the origin of the PWN structures, while enhanced abundances in the PWN region provide evidence for a mixing of supernova ejecta with PWN material. The overall morphology and spectral properties of the SNR suggest that the PWN has undergone an asymmetric interaction with the SNR reverse shock (RS), whichcan occur as a result of a density gradient in the ambient medium and/or a moving pulsar that displaces the PWN from the center of the remnant. We present hydrodynamical simulations of G327.1-1.1 that show that its morphology and evolution can be described by a ∼17,000-year-old composite SNR that expanded into a density gradient with an orientation perpendicular to the pulsar’s motion. We also show that the RS/PWN interaction scenario can reproduce the broadband spectrum of the PWN from radio to γ-ray wavelengths. The analysis and modeling presented in this work have important implications for our general understanding of the structure and evolution of composite SNRs.

  20. A computational study on the energetics and mechanisms for the dissociative adsorption of SiHx(x = 1-4) on W(1 1 1) surface

    Science.gov (United States)

    Lin, Y. H.; Raghunath, P.; Lin, M. C.

    2016-01-01

    The adsorption and dissociation mechanisms of SiHx(x = 1-4) species on W(1 1 1) surface have been investigated by using the periodic density functional theory with the projector-augmented wave approach. The adsorption of all the species on four surface sites: top (T), bridge (B), shallow (S), and deep (D) sites have been analyzed. For SiH4 on a top site, T-SiH4(a), it is more stable with an adsorption energy of 2.6 kcal/mol. For SiH3, the 3-fold shallow site is most favorable with adsorption energy of 46.0 kcal/mol. For SiH2, its adsorption on a bridge site is most stable with 73.0 kcal/mol binding energy, whereas for SiH and Si the most stable adsorption configurations are on 3-fold deep sites with very high adsorption energies, 111.8 and 134.7 kcal/mol, respectively. The potential energy surfaces for the dissociative adsorption of all SiHx species on the W(1 1 1) surface have been constructed using the CINEB method. The barriers for H-atom migration from SiHx(a) to its neighboring W atoms, preferentially on B-sites, were predicted to be 0.4, 1.0, 4.5 and, 8.0 kcal/mol, respectively, for x = 4, 3, 2, and 1, respectively. The adsorption energy of the H atom on a bridge site on the clean W(1 1 1) surface was predicted to be 65.9 kcal/mol, which was found to be slightly affected by the co-adsorption of SiHx-1 within ± 1 kcal/mol.

  1. Adsorption of selenium atoms at the Si(1 1 1)-7 x 7 surface: A combination of scanning tunnelling microscopy and density functional theory studies

    International Nuclear Information System (INIS)

    Wu, S.Q.; Zhou Yinghui; Wu Qihui; Pakes, C.I.; Zhu Zizhong

    2011-01-01

    Graphical abstract: A selenium atom, which adsorbs at site close to a Si adatom and bonds with this Si adatom and one of its backbonding Si atoms on the Si(1 1 1)-7 x 7 surface, will break the Si-Si bond and consequently disorder the Si reconstruction surface. Research highlights: → STM and DFT are used to study the adsorption properties of Se atoms on a Si surface. → The adsorption site of Se atom on the Si surface has been identified. → The electronic effect of Se atom on the adsorbed Si surface has been ivestigaed. → The Se atom weakens the bond between two Si atom bonding with the Se atom. - Abstract: The adsorption of selenium (Se) atoms at the Si(1 1 1)-7 x 7 surface has been investigated using both scanning tunnelling microscopy (STM) and density functional theory calculations. A single Se atom prefers to adsorb at sites close to a Si adatom and bonds with this Si adatom and one of its backbonding Si atoms. The adsorption sites are referred to as A*-type sites in this article. The density of the conduction band (empty states) of the Si adatom increases as a result of the adsorption of a Se atom, which causes the Si adatom to become brighter in the empty state STM images. At the same time, the adsorption of the Se atom weakens the bonding between the Si adatom and its backbonding Si atom due to the charge transfer from them to the Se atom, and consequently destructs the ordered Si(1 1 1)-7 x 7 surface with increasing Se coverage.

  2. Density functional theory based-study of 5-fluorouracil adsorption on β-cristobalite (1 1 1) hydroxylated surface: The importance of H-bonding interactions

    Energy Technology Data Exchange (ETDEWEB)

    Simonetti, S., E-mail: ssimonet@uns.edu.ar [Universidad Nacional del Sur (UNS)—Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET), Bahía Blanca (Argentina); Universidad Tecnológica Nacional (UTN), Bahía Blanca (Argentina); Compañy, A. Díaz [Comisión de Investigaciones Científicas (CIC), Buenos Aires (Argentina); Pronsato, E.; Juan, A.; Brizuela, G. [Universidad Nacional del Sur (UNS)—Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET), Bahía Blanca (Argentina); Lam, A. [Instituto de Ciencia y Tecnología de Materiales (IMRE), Universidad de La Habana (Cuba)

    2015-12-30

    Graphical abstract: - Highlights: • Favorable energies results in optimum four adsorption geometries. • Silanols are partially weakening and establish H-bonds with polar groups of 5-FU drug. • Dispersion forces approach the 5-FU molecule toward the surface. • Electron exchange is presented after adsorption. • H-bonds stabilize the molecule playing significant role in the adsorption mechanism. - Abstract: Silica-based mesoporous materials have been recently proposed as an efficient support for the controlled release of a popular anticancer drug, 5-fluorouracil (5-FU). Although the relevance of this topic, the atomistic details about the specific surface-drug interactions and the energy of adsorption are almost unknown. In this work, theoretical calculations using the Vienna Ab-initio Simulation Package (VASP) applying Grimme's—D2 correction were performed to elucidate the drug–silica interactions and the host properties that control 5-FU drug adsorption on β-cristobalite (1 1 1) hydroxylated surface. This study shows that hydrogen bonding, electron exchange, and dispersion forces are mainly involved to perform the 5-FU adsorption onto silica. This phenomenon, revealed by favorable energies, results in optimum four adsorption geometries that can be adopted for 5-FU on the hydroxylated silica surface. Silanols are weakening in response to the molecule approach and establish H-bonds with polar groups of 5-FU drug. The final geometry of 5-FU adopted on hydroxylated silica surface is the results of H-bonding interactions which stabilize and fix the molecule to the surface and dispersion forces which approach it toward silica (1 1 1) plane. The level of hydroxylation of the SiO{sub 2} (1 1 1) surface is reflected by the elevated number of hydrogen bonds that play a significant role in the adsorption mechanisms.

  3. Late-Time Evolution of Composite Supernova Remnants: Deep Chandra Observations and Hydrodynamical Modeling of a Crushed Pulsar Wind Nebula in SNR G327.1-1.1

    Science.gov (United States)

    Temim, Tea; Slane, Patrick; Kolb, Christopher; Blondin, John; Hughes, John P.; Bucciantini, Niccolo

    2015-01-01

    In an effort to better understand the evolution of composite supernova remnants (SNRs) and the eventual fate of relativistic particles injected by their pulsars, we present a multifaceted investigation of the interaction between a pulsar wind nebula (PWN) and its host SNR G327.1-1.1. Our 350 ks Chandra X-ray observations of SNR G327.1-1.1 reveal a highly complex morphology; a cometary structure resembling a bow shock, prong-like features extending into large arcs in the SNR interior, and thermal emission from the SNR shell. Spectral analysis of the non-thermal emission offers clues about the origin of the PWN structures, while enhanced abundances in the PWN region provide evidence for mixing of supernova ejecta with PWN material. The overall morphology and spectral properties of the SNR suggest that the PWN has undergone an asymmetric interaction with the SNR reverse shock(RS) that can occur as a result of a density gradient in the ambient medium and or a moving pulsar that displaces the PWN from the center of the remnant. We present hydrodynamical simulations of G327.1-1.1 that show that its morphology and evolution can be described by a approx. 17,000 yr old composite SNR that expanded into a density gradient with an orientation perpendicular to the pulsar's motion. We also show that the RSPWN interaction scenario can reproduce the broadband spectrum of the PWN from radio to gamma-ray wavelengths. The analysis and modeling presented in this work have important implications for our general understanding of the structure and evolution of composite SNRs.

  4. Reconstructive structural phase transitions in dense Mg

    International Nuclear Information System (INIS)

    Yao Yansun; Klug, Dennis D

    2012-01-01

    The question raised recently about whether the high-pressure phase transitions of Mg follow a hexagonal close-packed (hcp) → body centered cubic (bcc) or hcp → double hexagonal close-packed (dhcp) → bcc sequence at room temperature is examined by the use of first principles density functional methods. Enthalpy calculations show that the bcc structure replaces the hcp structure to become the most stable structure near 48 GPa, whereas the dhcp structure is never the most stable structure in the pressure range of interest. The characterized phase-transition mechanisms indicate that the hcp → dhcp transition is also associated with a higher enthalpy barrier. At room temperature, the structural sequence hcp → bcc is therefore more energetically favorable for Mg. The same conclusion is also reached from the simulations of the phase transitions using metadynamics methods. At room temperature, the metadynamics simulations predict the onset of a hcp → bcc transition at 40 GPa and the transition becomes more prominent upon further compression. At high temperatures, the metadynamics simulations reveal a structural fluctuation among the hcp, dhcp, and bcc structures at 15 GPa. With increasing pressure, the structural evolution at high temperatures becomes more unambiguous and eventually settles to a bcc structure once sufficient pressure is applied. (paper)

  5. Adsorption kinetics and dynamics of small organic molecules on a silica wafer: Butane, pentane, nonane, thiophene, and methanol adsorption on SiO2/Si(1 1 1)

    International Nuclear Information System (INIS)

    Funk, S.; Goering, J.; Burghaus, U.

    2008-01-01

    The adsorption kinetics (by thermal desorption spectroscopy) and adsorption dynamics (by molecular beam scattering) have been determined for a number of alkanes, methanol, thiophene, and water on a silica wafer-SiO 2 /Si(1 1 1). No indications for bond activation were present, i.e., all probe molecules adsorb molecularly obeying 1st order kinetics. The coverage-dependent heat of adsorption has been determined accordingly. The adsorption dynamics are precursor-mediated with Kisliuk-like shapes of the adsorption probabilities at low impact energies and adsorbate-assisted adsorption at large impact energies

  6. Tuning dispersion correction in DFT-D2 for metal-molecule interactions: A tailored reparameterization strategy for the adsorption of aromatic systems on Ag(1 1 1)

    Science.gov (United States)

    Schiavo, Eduardo; Muñoz-García, Ana B.; Barone, Vincenzo; Vittadini, Andrea; Casarin, Maurizio; Forrer, Daniel; Pavone, Michele

    2018-02-01

    Common local and semi-local density functionals poorly describe the molecular physisorption on metal surfaces due to the lack of dispersion interactions. In the last decade, several correction schemes have been proposed to amend this fundamental flaw of Density Functional Theory. Using the prototypical case of aromatic molecules adsorbed on Ag(1 1 1), we discuss the accuracy of different dispersion-correction methods and present a reparameterization strategy for the simple and effective DFT-D2. For the adsorption of different aromatic systems on the same metallic substrate, good results at feasible computational costs are achieved by means of a fitting procedure against MP2 data.

  7. Fabric protectors. Part II - Propane, 1,1,1-trichloroethane, and petroleum distillates levels in air after application of fabric protectors.

    Science.gov (United States)

    Otson, R; Williams, D T; Bothwell, P D

    1984-01-01

    Propane, 1,1,1-trichloroethane, and petroleum distillates levels in air which were generated during the use of aerosol type fabric protectors were monitored by means of the NIOSH charcoal tube, a glass bulb grab sampling, and the GASBADGE passive device techniques. Although 1982 ACGIH TLV-STEL were readily exceeded in an unventilated test room, when fabric was sprayed with 450 g of fabric protector in an unconfined area within a home the generated vapors quickly dispersed and STEL and 8-hour TWA-TLV were not exceeded.

  8. Genetic interaction between the ero1-1 and leu2 mutations in Saccharomyces cerevisiae

    DEFF Research Database (Denmark)

    López-Mirabal, H Reynaldo; Winther, Jakob R; Kielland-Brandt, Morten C

    2007-01-01

    of the ero1-1 mutation were carried out in a leu2 mutant. The ero1-1 leu2 strain does not grow in standard synthetic complete medium at 30 degrees C, a defect that can be remedied by increasing the L-leucine concentration in the medium or by transforming the ero1-1 leu2 strain with the LEU2 wild-type allele...

  9. 39 CFR 1.1 - Establishment of the U.S. Postal Service.

    Science.gov (United States)

    2010-07-01

    ... 39 Postal Service 1 2010-07-01 2010-07-01 false Establishment of the U.S. Postal Service. 1.1 Section 1.1 Postal Service UNITED STATES POSTAL SERVICE THE BOARD OF GOVERNORS OF THE U.S. POSTAL SERVICE POSTAL POLICY (ARTICLE I) § 1.1 Establishment of the U.S. Postal Service. The U.S. Postal Service is...

  10. Raske tervisekahjustuse tekitamise katse. Riigikohtu kriminaalkolleegiumi otsus asjas 3-1-1-111-16 / Mario Truu

    Index Scriptorium Estoniae

    Truu, Mario, 1989-

    2017-01-01

    Riigikohtu kriminaalkolleegiumi otsusest asjas 3-1-1-111-16, teo toimepanija tahtlusest raske tervisekahjustuse tekitamise katse korral. Tervisekahjustuse liigi ja raskuse tuvastamisest kriminaalkohtumenetluses

  11. Compendium of Environmental Sustainability Indicator Collections: Complete Collection, Version 1.1

    Data.gov (United States)

    National Aeronautics and Space Administration — The Compendium of Environmental Sustainability Indicator Collections, Version 1.1 contains 426 indicators for 239 countries from five major environmental...

  12. Mg II-Absorbing Galaxies in the UltraVISTA Survey

    Science.gov (United States)

    Stroupe, Darren; Lundgren, Britt

    2018-01-01

    Light that is emitted from distant quasars can become partially absorbed by intervening gaseous structures, including galaxies, in its path toward Earth, revealing information about the chemical content, degree of ionization, organization and evolution of these structures through time. In this project, quasar spectra are used to probe the halos of foreground galaxies at a mean redshift of z=1.1 in the COSMOS Field. Mg II absorption lines in Sloan Digital Sky Survey quasar spectra are paired with galaxies in the UltraVISTA catalog at an impact parameter less than 200 kpc. A sample of 77 strong Mg II absorbers with a rest-frame equivalent width ≥ 0.3 Å and redshift from 0.34 < z < 2.21 are investigated to find equivalent width ratios of Mg II, C IV and Fe II absorption lines, and their relation to the impact parameter and the star formation rates, stellar masses, environments and redshifts of their host galaxies.

  13. (Vapour + liquid) equilibrium data for the {1,1-difluoroethane (R152a) + 1,1,1,3,3-pentafluoropropane (R245fa)} system at temperatures from (323.150 to 353.150) K

    International Nuclear Information System (INIS)

    Yang, Lixiang; Gong, Maoqiong; Guo, Hao; Dong, Xueqiang; Wu, Jianfeng

    2015-01-01

    Highlights: • VLE data for (R152a + R245fa) system were measured at temperatures. • The experiments were based on the static-analytic method. • VLE data were correlated using PR–vdWs and PR–HV–NRTL models. - Abstract: In this paper, (vapour + liquid) equilibrium (VLE) for the {1,1-difluoroethane (R152a) + 1,1,1,3,3-pentafluoropropane (R245fa)} system was determined by a static-analytical method at T = (323.150 to 353.150) K. Values of the VLE were correlated by the Peng–Robison equation of state (PR EoS) using two different models, the van der Waals (vdWs) mixing rule and the Huron–Vidal (HV) mixing rule involving the non-random two-liquid (NRTL) activity coefficient model. The correlated results show good agreement with the experimental values. For the two models, the maximum average absolute deviations of the vapour phase mole fraction are 0.0034 and 0.0035, respectively.

  14. Study on the early surface films formed on Mg-Y molten alloy in different atmospheres

    Directory of Open Access Journals (Sweden)

    A.R. Mirak

    2015-09-01

    Full Text Available In the present study, the non-isothermal early stages of surface oxidation of liquid Mg-1%Y alloy during casting were studied under UPH argon, dry air, and air mixed with protective fluorine-bearing gases. The chemistry and morphology of the surface films were characterized by SEM and EDX analyses. The results indicate a layer of smooth and tightly coherent oxidation film composed of MgO and Y2O3 formed on the molten Mg-Y alloy surface with 40–60 nm thickness under dry air. A dendritic/cellular microstructure is clearly visible with Y-rich second phases gathered in surface of the melt and precipitated along the grain/cell boundaries under all gas conditions. Under fluorine-bearing gas mixtures, the surface film was a mixed oxide and fluoride and more even; a flat and folded morphology can be seen under SF6 with oxide as dominated phase and under 1, 1, 1, 2-tetra-fluoroethane, a smooth and compact surface film uniformly covering the inner surface of the bubble with equal oxide and fluoride thickness, which results in a film without any major defects. MgF2 phase appears to be the key characteristic of a good protective film.

  15. Phase formation in Mg-Sn-Si and Mg-Sn-Si-Ca alloys

    Energy Technology Data Exchange (ETDEWEB)

    Kozlov, A.; Groebner, J. [Institute of Metallurgy, Clausthal University of Technology, Robert-Koch-Str. 42, D-38678 Clausthal-Zellerfeld (Germany); Schmid-Fetzer, R., E-mail: schmid-fetzer@tu-clausthal.de [Institute of Metallurgy, Clausthal University of Technology, Robert-Koch-Str. 42, D-38678 Clausthal-Zellerfeld (Germany)

    2011-02-17

    Research highlights: > The solidification paths of ternary and quaternary alloys are analyzed in detail, using the tool of thermodynamic calculations. > The precipitation sequence of phases and their amounts compare well with the microstructure of alloys. > The most efficient comparison to the experimental thermal analysis data is done by calculation of the enthalpy variation with temperature. > The viability of a procedure for the selection of multicomponent key samples is demonstrated for the development of the Mg-Ca-Si-Sn phase diagram. - Abstract: Experimental work is done and combined with the Calphad method to generate a consistent thermodynamic description of the Mg-Ca-Si-Sn quaternary system, validated for Mg-rich alloys. The viability of a procedure for the selection of multicomponent key samples is demonstrated for this multicomponent system. Dedicated thermal analysis with DTA/DSC on sealed samples is performed and the microstructure of slowly solidified alloys is analyzed using SEM/EDX. The thermodynamic description and phase diagram of the ternary Mg-Si-Sn system, developed in detail also in this work, deviates significantly from a previous literature proposal. The phase formation in ternary and quaternary alloys is analyzed using the tool of thermodynamic equilibrium and Scheil calculations for the solidification paths and compared with present experimental data. The significant ternary/quaternary solid solubilities of pertinent intermetallic phases are quantitatively introduced in the quaternary Mg-Ca-Si-Sn phase diagram and validated by experimental data.

  16. The inter-adsorbate interaction mediated by Shockley-type surface state electrons and dipole moment: Cs and Ba atoms absorbed on Ag (1 1 1) films

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Shuyuan [College of Physical Science and Technology, Sichuan University, Chengdu 610065 (China); Zhang, Hong, E-mail: hongzhang@scu.edu.cn [College of Physical Science and Technology, Sichuan University, Chengdu 610065 (China); Key Laboratory of High Energy Density Physics and Technology of Ministry of Education, Sichuan University, Chengdu 610064 (China); Miyamoto, Yoshiyuki [Nanosystem Research Institute, National Institute of Advanced Industrial Science and Technology (AIST), Central 2, 1-1-1 Umezono, Tsukuba 305-8568 (Japan)

    2014-01-15

    Through first-principles investigation, we display the formation process of Shockley-type surface states which emerges on silver thin films along Ag (1 1 1) orientation with increasing thicknesses from 6 to 21 layers. We look at the surface state band for various adatoms adsorbed on 6, 12, 18 layers strained Ag (1 1 1) films with different coverage, and discuss the long range interaction mediated by surface state electrons. We discovered that film's thickness can modulate the surface state mediated interaction drastically, but the dipole–dipole repulsive interaction is not affected by slab thickness. This factor had never been discussed in detail. Therefore, adatoms adsorbed on thin films have strong attractive interaction which leads to small adsorption separation and the tendency of island formation. For different coverage or different adsorbate types, both surface states and dipole moment are modulated. The three factors, film's thickness, adsorbate coverage and adatoms types, could help us learn more about the interactions between adatoms and exploit advanced ways to control surface geometry structures of self-assembly.

  17. Direct evaluation of the hyperconjugative interactions in 1,1,1-trihaloethane (CH3CX3, X = F, Cl, and Br).

    Science.gov (United States)

    Chen, Zhenhua; Corminboeuf, Clémence; Mo, Yirong

    2014-08-07

    Following the computational strategy proposed by Mulliken in 1939 ( J. Chem. Phys. 1939, 7 (5), 339-352), when the concept of hyperconjugation was coined, we evaluated the hyperconjugative stabilization energy in 1,1,1-trihaloethane using the block-localized wave function (BLW) method. The BLW method is the simplest and most efficient variant of ab initio valence bond (VB) theory and can derive the strictly electron-localized state wave function self-consistently. The latter serves as a reference for the quantification of the electron delocalization effect in terms of the resonance theory. Computations show that the overall hyperconjugative interactions in 1,1,1-trihaloethane, dominated by σ(CH) → σ'(CX) with minor contribution from σ(CX) → σ'(CH), ranges from 9.59 to 7.25 kcal/mol in the staggered structures and decreases in the order Br > Cl > F. This is in accord with the (1)H NMR spectra of CH3CX3. Notably, the hyperconjugation effect accounts for 35-40% of the rotation barriers in these molecules, which are dominated by the conventional steric repulsion. This is consistent with the recent findings with 1,2-difluoroethane (Freitas, Bühl, and O'Hagan. Chem. Comm. 2012, 48, 2433-2435) that the variation of (1)J(CF) with the FCCF torsional angle cannot be well explained by the hyperconjugation model

  18. Influence of iron-bearing phyllosilicates on the dechlorination kinetics of 1,1,1-trichloroethane in Fe(II)/cement slurries.

    Science.gov (United States)

    Jung, Bahngmi; Batchelor, Bill

    2007-07-01

    This study examines the effect of iron-bearing phyllosilicates on dechlorination rates of chlorinated aliphatic hydrocarbons (CAHs) in iron-based degradative solidification/stabilization (DS/S-Fe(II)). Laboratory batch experiments were conducted to evaluate dechlorination rates of 1,1,1-trichloroethane (1,1,1-TCA) in a mixture solution of Fe(II), cement and three different iron-bearing phyllosilicates (biotite, vermiculite, and montmorillonite). A first-order rate model was generally used to describe the dechlorination kinetics and the rate constants were dependent on soil mineral type (biotite, vermiculite, and montmorillonite), Fe(II) dose, and the mass ratio of cement to soil mineral. The pseudo-first-order rate constant for montmorillonite was lower than that for biotite and vermiculite by factors of 11-27 when the mass ratio of cement to phyllosilicates was fixed at one. The presence of biotite and vermiculite increase and the presence of montmorillonite decrease the degradation rate that would be observed in their absence. The effect of cement/mineral ratio on rate constants with three different soil minerals indicates that biotite was more reactive than the other two phyllosilicates. This may be due to high accessible natural Fe(II) content in biotite. Montmorillonite appears to inhibit dechlorination by either inactivating Fe(II) by ion exchange or by physically blocking active sites on cement hydration products.

  19. Periodic density functional theory study of ethylene hydrogenation over Co3O4 (1 1 1) surface: The critical role of oxygen vacancies

    Science.gov (United States)

    Lu, Jinhui; Song, JiaJia; Niu, Hongling; Pan, Lun; Zhang, Xiangwen; Wang, Li; Zou, Ji-Jun

    2016-05-01

    Recently, metal oxides are attracting increasing interests as hydrogenation catalyst. Herein we studied the hydrogenation of ethylene on perfect and oxygen defective Co3O4 (1 1 1) using periodic density functional theory. The energetics and pathways of ethylene hydrogenation to ethane were determined. We have demonstrated that (i) H2 dissociation on Co3O4 is a complicated two-step process through a heterolytic cleavage, followed by the migration of H atom and finally yields the homolytic product on both perfect and oxygen defective Co3O4 (1 1 1) surfaces easily. (ii) After introducing the surface oxygen vacancy, the stepwise hydrogenation of ethylene by atomic hydrogen is much easier than that on perfect surface due to the weaker bond strength of OH group. The strength of Osbnd H bond is a crucial factor for the hydrogenation reaction which involves the breakage of Osbnd H bond. The formation of oxygen vacancy increases the electronic charges at the adjacent surface O, which reduces its capability of further gaining electrons from adsorbed atomic hydrogen and then weakens the strength of Osbnd H bond. These results emphasize the importance of the oxygen vacancies for hydrogenation on metal oxides.

  20. Molecular Rods Combining o-Carborane and Bicyclo[1.1.1]pentane Cages: An Insertion of the Triple Bond Located Next to a Highly Strained Cage

    Czech Academy of Sciences Publication Activity Database

    Kaleta, Jiří; Janoušek, Zbyněk; Nečas, M.; Mazal, C.

    2015-01-01

    Roč. 34, č. 5 (2015), s. 967-972 ISSN 0276-7333 Grant - others:GA MŠk(CZ) ED1.1.00/02.0068 Program:ED Institutional support: RVO:61388963 Keywords : dehydrogenative alkyne-insertion * dicobalt octacarbonyl * polyborane reactions Subject RIV: CC - Organic Chemistry Impact factor: 4.186, year: 2015

  1. Kinetic data for the reaction of hydroxyl radicals with 1,1,1-trichloroacetaldehyde at 298 +- 2 K

    DEFF Research Database (Denmark)

    Barry, J.; Scollard, D.J.; Treacy, J.J.

    1994-01-01

    technique with OH radical detection both by resonance fluorescence and electron paramagnetic resonance. The results provide a value of k(OH + CCl3CHO) = (1.1 +/- 0.2) x 10(-12) cm3 molecule-1 s-1 at room temperature giving an atmospheric lifetime for CCl3CHO with respect to reaction with OH radicals of 290...

  2. Reliable lateral manipulation of a single Ag adatom on a Ag(1 1 1) surface with a trimer-apex tip

    International Nuclear Information System (INIS)

    Xie Yiqun; Shi Wangzhou; Du Guoping

    2009-01-01

    We study the reliability of the lateral manipulation of a single Ag adatom on a Ag(1 1 1) surface with the single-atom and trimer-apex tips based on molecular statics simulations using surface embedded-atom-method potential. The dependence of the manipulation reliability on tip height and orientation is investigated. For the single-atom tip the manipulation reliability increases monotonically with decreasing tip height, which is owing to the strengthened lateral tip-adatom interaction as the tip height lowers. For the trimer-apex tip, the manipulation reliability is sensitive to the tip orientation in the lower tip-height range, while in the higher tip-height range the manipulation reliability is independent of the tip orientation and moreover can be greatly improved due to the strong vertical attraction of the tip on the adatom as compared to the single-atom tip. We also compare these results to those for manipulating single Cu adatoms on the Cu(1 1 1) surface, reveal the underlying physics, and propose the method to improve the manipulation reliability for different systems.

  3. Controlled 1.1-1.6 μm luminescence in gold-free multi-stacked InAs/InP heterostructure nanowires.

    Science.gov (United States)

    Zhang, Guoqiang; Tateno, Kouta; Birowosuto, Muhammad Danang; Notomi, Masaya; Sogawa, Tetsuomi; Gotoh, Hideki

    2015-03-20

    We report controlled 1.1-1.6 μm luminescence in gold-free multi-stacked InAs/InP heterostructure nanowires (NWs). We realized the NWs by using an indium-particle-assisted vapor-liquid-solid synthesis approach. The growth temperature, as low as 320 °C, enables the formation of an atomically abrupt InP/InAs interface by supressing the diffusion and weakening the reservoir effect in the indium droplet. The low growth temperature also enables us to grow multi-stacked InAs/InP NWs in the axial direction without any growth on the NW side face. The high controllability of the growth technology ensures that the luminescence can be tailored by the thickness of InAs segment in InP NWs and cover the 1.3-1.5 μm telecommunication window range. By using the nanoscale-spatial-resolution technology combing cathodoluminescence with scanning electron microscopy, we directly correlated the site of different-thickness InAs segments with its luminescence property in a single NW and demonstrate the InAs-thickness-controlled energy of optical emission in 1.1-1.6 μm.

  4. CO dissociation and CO hydrogenation on smooth and ion-bombarded Pd(1 1 1): SFG and XPS spectroscopy at mbar pressures

    Science.gov (United States)

    Rupprechter, G.; Kaichev, V. V.; Unterhalt, H.; Morkel, M.; Bukhtiyarov, V. I.

    2004-07-01

    The CO dissociation probability on transition metals is often invoked to explain the product distribution (selectivity) of catalytic CO hydrogenation. Along these lines, we have investigated CO adsorption and dissociation on smooth and ion-bombarded Pd(1 1 1) at pressures up to 1 mbar using vibrational sum frequency generation (SFG) and X-ray photoelectron spectroscopy (XPS). Under high pressure, CO adsorbate structures were observed that were identical to high-coverage structures in UHV. On ion-bombarded surfaces an additional species was detected which was attributed to CO bridge bonded to defect (low-coordinated) sites. On both surfaces, no indications of CO dissociation were found even after hours of 0.1 mbar CO exposure. However, exposing CO/H 2 mixtures to ion-bombarded Pd(1 1 1) produced carbonaceous deposits suggesting CH xO species as precursors for CO bond cleavage and that the formation of CH xO is facilitated by surface defects. The relevance of the observations for CO hydrogenation on Pd catalysts is discussed.

  5. CO dissociation and CO hydrogenation on smooth and ion-bombarded Pd(1 1 1): SFG and XPS spectroscopy at mbar pressures

    Energy Technology Data Exchange (ETDEWEB)

    Rupprechter, G.; Kaichev, V.V.; Unterhalt, H.; Morkel, M.; Bukhtiyarov, V.I

    2004-07-31

    The CO dissociation probability on transition metals is often invoked to explain the product distribution (selectivity) of catalytic CO hydrogenation. Along these lines, we have investigated CO adsorption and dissociation on smooth and ion-bombarded Pd(1 1 1) at pressures up to 1 mbar using vibrational sum frequency generation (SFG) and X-ray photoelectron spectroscopy (XPS). Under high pressure, CO adsorbate structures were observed that were identical to high-coverage structures in UHV. On ion-bombarded surfaces an additional species was detected which was attributed to CO bridge bonded to defect (low-coordinated) sites. On both surfaces, no indications of CO dissociation were found even after hours of 0.1 mbar CO exposure. However, exposing CO/H{sub 2} mixtures to ion-bombarded Pd(1 1 1) produced carbonaceous deposits suggesting CH{sub x}O species as precursors for C---O bond cleavage and that the formation of CH{sub x}O is facilitated by surface defects. The relevance of the observations for CO hydrogenation on Pd catalysts is discussed.

  6. Adhesion and fracture toughness at α-Ti(0 0 0 1)/TiC(1 1 1): A first-principles investigation

    International Nuclear Information System (INIS)

    Li, Jian; Yang, Yanqing; Feng, Guanghai; Luo, Xian; Sun, Qing; Jin, Na

    2013-01-01

    The interfacial properties of α-Ti(0 0 0 1)/TiC(1 1 1) interface, such as adhesion, interface energy, interfacial fracture toughness, bonding nature, are investigated using first-principles calculations. Six interface models with different TiC(1 1 1) termination and stacking sites are investigated to clarify their influence on the interfacial stability and adhesion strength. C-terminated-hollow-site and Ti-terminated-center-site models exhibit identical epitaxial stacking style after fully relaxation, and can be regarded as the Ti and TiC sides of the most stable and strongest interface. The possible negative interface energy indicates the interfacial diffusion, and even new phase formation, is likely to happen across the interface. The largest interfacial fracture toughness is estimated about 4.8 MPa m 1/2 . The valence electron density and partial density of states (PDOS) indicate that its interfacial bonding is mainly contributed from C-Ti covalent bonds and Ti-Ti metallic interaction.

  7. The inter-adsorbate interaction mediated by Shockley-type surface state electrons and dipole moment: Cs and Ba atoms absorbed on Ag (1 1 1) films

    International Nuclear Information System (INIS)

    Zhang, Shuyuan; Zhang, Hong; Miyamoto, Yoshiyuki

    2014-01-01

    Through first-principles investigation, we display the formation process of Shockley-type surface states which emerges on silver thin films along Ag (1 1 1) orientation with increasing thicknesses from 6 to 21 layers. We look at the surface state band for various adatoms adsorbed on 6, 12, 18 layers strained Ag (1 1 1) films with different coverage, and discuss the long range interaction mediated by surface state electrons. We discovered that film's thickness can modulate the surface state mediated interaction drastically, but the dipole–dipole repulsive interaction is not affected by slab thickness. This factor had never been discussed in detail. Therefore, adatoms adsorbed on thin films have strong attractive interaction which leads to small adsorption separation and the tendency of island formation. For different coverage or different adsorbate types, both surface states and dipole moment are modulated. The three factors, film's thickness, adsorbate coverage and adatoms types, could help us learn more about the interactions between adatoms and exploit advanced ways to control surface geometry structures of self-assembly.

  8. Study of silicon-silicon nitride interface properties on planar (1 0 0), planar (1 1 1) and textured surfaces using deep-level transient spectroscopy

    International Nuclear Information System (INIS)

    Gong, Chun; Simoen, Eddy; Posthuma, Niels E; Van Kerschaver, Emmanuel; Poortmans, Jef; Mertens, Robert

    2010-01-01

    Deep-level transient spectroscopy (DLTS) has been applied to metal-insulator-semiconductor (MIS) capacitors fabricated on planar (1 0 0), planar (1 1 1) orientations and textured n-type silicon wafers. Low frequency direct plasma-enhanced chemical vapour deposition Si-SiN x interface properties with and without plasma NH 3 pre-treatment, with and without rapid thermal annealing (RTA) have been investigated. It is shown that three different kinds of defect states are identified at the Si-SiN x interface. For the planar (1 0 0) surface, samples with plasma NH 3 pre-treatment plus RTA show the lowest DLTS signals, which suggests the lowest overall interface states density. For planar (1 1 1) Si surfaces, plasma NH 3 pre-treatment and RTA yield a small improvement. With the textured surface, the RTA step improves the surface passivation quality further but no obvious impact is found with plasma NH 3 pre-treatment. Energy-dependent electron capture cross sections were also measured by small-pulse DLTS. The capture cross sections depend strongly on the energy level and decrease towards the conduction band edge.

  9. Complementary roles of benzylpiperazine and iodine 'vapor' in the strong enhancement of orange photoluminescence from CuI(1 1 1) thin film.

    Science.gov (United States)

    Rawal, Takat B; Turkowski, Volodymyr; Rahman, Talat S

    2014-05-07

    We have employed density functional theory, corrected by the on-site electron-electron repulsion energy U, to clarify the mechanism behind the enhanced orange photoluminescence (PL) of a CuI(1 1 1) thin film conjugated with a benzylpiperazine (BZP) molecule in the presence of an iodine 'vapor' atom. Our results demonstrated that the adsorbed molecule and the 'vapor' atom play complementary roles in producing the PL. The latter, in attaching to the film surface, creates a hole-trapping surface state located ~0.25 eV above the valence band-edge of the film, in good agreement with ~0.2 eV reported in experiments. Upon photo-excitation of the BZP/CuI(1 1 1) system in the presence of surface iodine 'vapor' atoms, excited electrons are transferred into the conduction band of CuI, and holes are trapped by the 'vapor' atoms. These holes, in turn, quickly relax into the HOMO state of the BZP molecule, owing to the fact that the molecule adsorbs on the film surface in the immediate vicinity of a 'vapor' atom. Relaxed holes subsequently recombine with excited electrons in the conduction band of the CuI film, thereby producing a luminescence peak at ~2.1 eV, in qualitative agreement with experimental findings.

  10. Selective fluorescent probe based on Schiff base derived from hydroxymethyl coumarin and aminated Sudan I dye for Mg2+ detection

    Directory of Open Access Journals (Sweden)

    Jiafa Xu

    2017-05-01

    Full Text Available A “turn-on” fluorescent sensor, SU-CM is synthesized for Mg2+ detection. The design of SU-CM is based on Schiff base ligand which is derived from the reaction between hydroxymethyl coumarin and aminated Sudan I dye. The low concentration of SU-CM (1 × 10−6 M exhibits a good sensitivity to Mg2+ in isopropyl alcohol solution at room temperature when excited at 372 nm. The titration of Mg2+ into SU-CM undergoes a linear enhancement with increasing concentrations of Mg2+ up to a final mole ratio of 1:1. In addition, SU-CM also shows an excellent specificity from the results that fluorescent intensity emitted at 474 nm is not influenced by adding other 12 ions. Our research suggests that SU-CM may become a favorable candidate for establishment of an efficient Mg2+ response.

  11. Half-life determination for 27Mg

    Science.gov (United States)

    Zahn, G. S.; Genezini, F. A.

    2015-07-01

    In this work, the half-life of the short-lived magnesium radionuclide 27Mg was measured by following the activity of samples after they were irradiated in the IEA-R1 reactor. An exponential decay function was then fitted to the results using the counts from a 60Co source as livetime chronometer; the individual half-life values obtained for each irradiation were compiled using both the usual unweighted and σ-2-weighted averages, as well as the robust averages obtained using the Normalized Residuals and the Rajeval techniques. The final halflive values obtained aren't compatible with the ENSDF compilation values, but have a similar uncertainty; analysis of the experimental literature values, all from the 50’s-60’s, show that further measurements should be undertaken in order to achieve a more robust consensus value for this half-life.

  12. Experimental lifetimes for Mg-like chlorine

    International Nuclear Information System (INIS)

    Engstroem, L.; Bengtsson, P.; Jupen, C.; Livingston, A.E.; Martinson, I.

    1995-01-01

    The results of beam-foil measurements of lifetimes for low-lying singlet levels in Mg-like chlorine, Cl VI, are presented. The decay curves were analyzed by means of the arbitrarily normalized decay curve method, combined with the recently developed CANYL code, which facilitates studies of decay chains. Cascade corrected data are presented for the levels 3s3p 1 P, 3p 2 1 S, 3p 2 1 D, and 3s3d 1 D, whereas less rigorous lifetime values, based on curve fits, were obtained for the 3p3d 1 D, 3p3d 1 F, and 3s4f 1 F levels. The data are in excellent agreement with recent theoretical values, and previous discrepancies between experiment and theory for short-lived states have been removed

  13. MgO by injection CVD

    International Nuclear Information System (INIS)

    Abrutis, A.; Kubilius, V.; Teiserkis, A.; Bigelyte, V.; Vengalis, B.; Jukna, A.; Butkute, R.

    1997-01-01

    Epitaxial YBa 2 Cu 3 O 7 layers with 45 in-plane orientation have been grown by injection CVD on MgO substrates polished off-axis to within 1.4-1.9 of the [100] direction. This new single-source CVD process is based on computer-controlled injection of precise microdoses of a metal-organic precursor solution into a CVD reactor. A wide range of solution compositions was tested to investigate compositional effects on phase purity, surface morphology, texturing and superconducting properties of the prepared films. The highest quality films with pure 45 texture had a smooth surface, zero resistance T c (R=0) of 88-89 K, and critical current density J c (77 K) above 10 6 A/cm 2 . (orig.) and critical current density J c (77 K) above 10 6 A/cm 2 . (orig.)

  14. The three shapes of 32Mg

    International Nuclear Information System (INIS)

    Poves, A.; Nowacki, F.; Caurier, E.

    2014-01-01

    The N=20 and N=28 'islands of inversion' are described by large scale shell model calculations which mix configurations with different Nℎω or equivalently with different number of particles promoted from the sd-shell to the p f-shell. We pay particular attention to the properties of the states at fix Nℎω which turn out to be the real protagonists of the physics at N=20. In particular we study the appearance of spherical, deformed and superdeformed structures in 32 Mg at fixed 0p-0h, 2p-2h and 4p-4h configurations. Finally we show that the islands of deformation at N=20 and N=28 merge in a single one for Magnesium isotopes. (authors)

  15. Mg amorphous alloys for biodegradable implants

    International Nuclear Information System (INIS)

    Danez, G.P.; Koga, G.Y.; Tonucci, S.; Bolfarini, C.; Kiminami, C.S.; Botta Filho, W.J.

    2010-01-01

    The use of implants made from amorphous alloys magnesium-based with additions of zinc and calcium are promising. Properties such as biocompatibility, low density, high mechanical strength, low modulus (as compared to alloys such as stainless steel and titanium), corrosion resistance and wear resistance make it attractive for use in implants. Moreover, the by-products of corrosion and wear are not toxic and may contribute to fixation. Aiming to understand the tendency of this amorphous ternary (Mg-Zn-Ca) and expand the information about this system, this work involved the use of the topological criterion of instability (λ) and the criterion of electronegativity (Δe) to the choice of compositions. The alloys were processed into wedge-shaped and analyzed structurally and in X-ray diffraction and scanning electron microscopy. (author)

  16. Estabilidad de tabletas de Rifampicina 300 mg

    Directory of Open Access Journals (Sweden)

    Lisette Martínez Miranda

    2001-04-01

    Full Text Available Se realizó el estudio de estabilidad de las tabletas de rifampicina 300 mg. Se utilizó para la cuantificación del principio activo un método analítico desarrollado y validado por cromatografía líquida de alta resolución en fase reversa y detección ultravioleta. El estudio de estabilidad de las tabletas se efectuó mediante los métodos de vida útil y acelerado en condiciones isotérmicas; no se obtuvo una variación notable de la concentración en el tiempo de estudio y se demostró así la estabilidad química y térmica del principio activo, por lo que se proponen 2 años como fecha de vencimiento. La humedad relativa de 75, 84 y 92 % tuvo influencia en la estabilidad de la formulación en el período analizado.The stability study of rifampicin 300 mg was conducted. An analytical method developed and validated by high pressure liquid chromatography in reverse phase and ultraviolet detection was used for the quantification of the actives principle. The stability study of the tablets was conducted by the method of useful life and the accelerated method under isothermic conditions. There was no significant variation of the concentration during the time of study and, thus, the chemical and thermal stability of the active principle was proved. A period of 2 years was proposed as expiration date. A relative humidity of 75, 84 and 92% influenced on the stability of the formulation in the analyzed period.

  17. Hydriding and dehydriding rates of Mg, Mg-10TaF5, and Mg-10NbF5 prepared via reactive mechanical grinding

    Science.gov (United States)

    Song, Myoung Youp; Kwak, Young Jun; Lee, Seong Ho; Park, Hye Ryoung

    2015-01-01

    In this work, TaF5 and NbF5 were chosen as additives to enhance the hydriding and dehydriding rates of Mg. Mg, Mg-10TaF5, and Mg-10NbF5 samples were prepared by reactive mechanical grinding. The hydriding and dehydriding properties of the samples were then examined. Mg-10TaF5 had the largest amount of hydrogen absorbed for 30 min and the highest initial dehydriding rate after incubation period, followed in order by Mg-10NbF5, and Mg. At 593 K under 12 bar H2 at the first cycle, Mg-10TaF5 absorbed 3.63 wt% H for 5 min and 4.53 wt% H for 30 min. At 593 K under 1.0 bar H2 at the first cycle, Mg-10TaF5 desorbed 0 wt% H for 2.5 min, 0.59 wt% H for 5 min, 3.42 wt% H for 30 min, and 4.24 wt% H for 60 min. The reactive mechanical grinding of Mg with TaF5 or NbF5 is believed to have facilitated the nucleation and to have decreased the diffusion distances of hydrogen atoms. These two effects are believed to have increased the hydriding and dehydriding rates of Mg. The MgF2 and Ta2H formed in Mg-10TaF5, and the MgF2, NbH2, and NbF3 formed in Mg-10NbF5 are considered to have enhanced both of these effects.

  18. Mechanochemical Synthesis of Nanostructured MgXNi1-XO Compound by Mg-NiO Mixture

    Directory of Open Access Journals (Sweden)

    Nader Setoudeh

    2017-06-01

    Full Text Available Synthesis of magnesium nickel oxide phase such as MgxNi1-xO solid solutions has been studied in this research article using mechnochmical reaction between magnesium and nickel oxide. Mixtures of magnesium powder and nickel oxide (Mg+NiO with stoichiometric compositions were milled for different times in a planetary ball mill. Reduction reaction of nickel oxide by magnesium via a mechanically induced self-sustaining reaction (MSR was confirmed in the XRD measurements of the as-milled samples. Formation of nanostructured magnesium nickel oxide phases (such as Mg0.4Ni0.6O or MgNiO2 was observed after isothermal heating of the 30 minutes milled samples at 1000°C where nickel phase seems to disappear in XRD patterns. The traces of phases such as Mg0.4Ni0.6O or MgNiO2 were also observed in the as-milled mixtures. Therefore, the XRD results of the as-milled samples suggested that the formation of magnesium nickel oxide phases could be possible even after prolonged milling. The XRD and SEM results of both as-milled and isothermally heated samples indicated that the crystallite size and particle size of the final products reached to nanoscale after milling. Morphological and compositional evolution of the samples after heat treatment was monitored through SEM imaging and elemental analyses. The results confirmed that the composition of final product is close to Mg0.4Ni0.6O compound.

  19. Porous composite materials ZrO2(MgO)-MgO for osteoimplantology

    International Nuclear Information System (INIS)

    Buyakov, Ales; Litvinova, Larisa; Shupletsova, Valeria; Kulbakin, Denis; Kulkov, Sergey

    2016-01-01

    The pore structure and phase composition of ceramic composite material ZrO 2 (Mg)-MgO at different sintering temperatures were studied. The main mechanical characteristics of the material were determined and it was shown that they are close to the characteristics of natural bone tissues. It was shown that material structure has a positive effect on the pre-osteoblast cells proliferation. In-vitro studies of pre-osteoblast cells, cultivation on material surface showed a good cell adhesion, proliferation and differentiation of MMSC by osteogenic type.

  20. Sorption of selenium on Mg-Al and Mg-Al-Eu layered double hydroxides

    International Nuclear Information System (INIS)

    Curtius, H.; Paparigas, Z.; Kaiser, G.

    2008-01-01

    Salt domes represent deep geological formations which are under consideration as final repositories for irradiated research reactor fuel elements. For long-term safety aspects the mobilisation of the radionuclides due to a water ingress is intensively investigated. At the Institute of Energy Research (IEF-6), leaching experiments were performed in a hot cell facility with UAl x -Al and U 3 Si 2 -Al dispersed research reactor fuel elements in repository-relevant MgCl 2 -rich salt brines under anaerobic conditions. The fuel plates corroded completely within one year and a Mg-Al-layered double hydroxide (LDH) with chloride as interlayer anion was identified as one crystalline phase component of the corrosion products (secondary phases). This Mg-Al-LDH was synthesized, characterized, and the ability to retard europium by an incorporation process was investigated. Europium, as a representative for lanthanides, was identified to be one of the radionuclides which were found in the corrosion products. We could show that europium was incorporated in the lattice structure. LDHs have high anion exchange capacities that enhance their potential to remove anionic contaminants from aqueous systems. In this work the sorption behaviour of selenium in the chemical form as selenite (SeO 3 2- ) on Mg-Al-LDH and on Mg-Al-Eu-LDH was investigated. Especially the influence of the larger europium-III ion was of interest. It represents in the Mg-Al-Eu-LDH about 10% of the molar aluminium amount. The sorption has been experimentally studied in a wide range of pH, ionic strength, radionuclide and sorbent concentration. Both LDHs with chloride as interlayer anion were synthesized by a coprecipitation method under controlled conditions, and their main physico-chemical properties were analyzed prior to the sorption experiments. The sorption kinetics of selenite on the LDHs in water and in MgCl 2 -rich brine were rapid using a LDH concentration of 10 g/L. Equilibrium, indicated by stable p

  1. Porous composite materials ZrO{sub 2}(MgO)-MgO for osteoimplantology

    Energy Technology Data Exchange (ETDEWEB)

    Buyakov, Ales, E-mail: alesbuyakov@gmail.com [Institute of Strength Physics and Materials Science SB RAS, Tomsk, 634055 (Russian Federation); National Research Tomsk State University, Tomsk, 634050 (Russian Federation); Litvinova, Larisa, E-mail: larisalitvinova@yandex.ru; Shupletsova, Valeria, E-mail: vshupletsova@mail.ru [Immanuel Kant Baltic Federal University, Kaliningrad (Russian Federation); Kulbakin, Denis, E-mail: kulbakin2012@gmail.com [Tomsk Cancer Research Institute, Tomsk, 634050 (Russian Federation); Kulkov, Sergey, E-mail: kulkov@ispms.ru [Institute of Strength Physics and Materials Science SB RAS, Tomsk, 634055 (Russian Federation); National Research Tomsk State University, Tomsk, 634050 (Russian Federation); National Research Tomsk Polytechnic University, Tomsk, 634050 (Russian Federation)

    2016-08-02

    The pore structure and phase composition of ceramic composite material ZrO{sub 2}(Mg)-MgO at different sintering temperatures were studied. The main mechanical characteristics of the material were determined and it was shown that they are close to the characteristics of natural bone tissues. It was shown that material structure has a positive effect on the pre-osteoblast cells proliferation. In-vitro studies of pre-osteoblast cells, cultivation on material surface showed a good cell adhesion, proliferation and differentiation of MMSC by osteogenic type.

  2. Role of dopants in LiF:Mg,Cu, LiF:Mg,P and LiF:Mg,Cu,P detectors

    International Nuclear Information System (INIS)

    Mohammadi, Kh.; Moussavi Zarandi, A.; Afarideh, H.; Shahmaleki, S.

    2013-01-01

    In this study, electronic structure of LiF crystal doped with Mg,Cu,P impurities was studied with WIEN2k code on the basis of FPLAPW+lo method. Results show that in Mg-doped LiF composition, an electronic trap was created with impurity concentration of 1.56% and 3.125%. In this condition, the electronic trap with increasing the percentage of the impurities up to 4.687% is annihilated. It was found, that by doping of Mg and Cu or P simultaneously, a hole-trap is created in valence band. It was realized that in LiF:Mg,Cu, LiF:Mg,P and LiF:Mg,Cu,P, Cu impurity and Li atom, have a key role in creation of levels which lead to create electronic and hole traps. Mg impurity and F atom, only have a role in creation of electronic traps. In addition, P impurity has a main role in creation of the electronic and hole traps in LiF:Mg,Cu,P. The activation energy of electronic and hole trap in LiF:Mg,Cu, LiF:Mg,P and LiF:Mg,Cu,P crystalline lattice were obtained as 0.3 and 5.5 eV, 0.92 and 3.4 eV and 0.75 and 3.1 eV, respectively. - Graphical abstract: Figure (a) and (b) shows changes in electronic structure and band gap energy of LiF crystal due to presence of Mg and Cu, Mg and P ions respectively. - Highlights: • Electronic structure of LiF, LiF:Mg,Cu, LiF:Mg,P and LiF:Mg,Cu,P materials were studied with WIEN2K code. • In LiF:Mg,Cu and LiF:Mg,Cu,P, Li atom and Cu impurity have a key role in creation of levels. • F atom and Mg impurity only have a role in creation of electronic traps. • In LiF:Mg,Cu,P, P impurity has a main role in creation of electronic and hole traps

  3. Application of Grey Model GM(1, 1) to Ultra Short-Term Predictions of Universal Time

    Science.gov (United States)

    Lei, Yu; Guo, Min; Zhao, Danning; Cai, Hongbing; Hu, Dandan

    2016-03-01

    A mathematical model known as one-order one-variable grey differential equation model GM(1, 1) has been herein employed successfully for the ultra short-term (advantage is that the developed method is easy to use. All these reveal a great potential of the GM(1, 1) model for UT1-UTC predictions.

  4. Comparison of Technology Use between Biology and Physics Teachers in a 1:1 Laptop Environment

    Science.gov (United States)

    Crook, Simon J.; Sharma, Manjula D.; Wilson, Rachel

    2015-01-01

    Using a mixed-methods approach the authors compared the associated practices of senior physics teachers (n = 7) and students (n = 53) in a 1:1 laptop environment with those of senior biology teachers (n = 10) and students (n = 125) also in a 1:1 laptop environment, in seven high schools in Sydney, NSW, Australia. They found that the physics…

  5. Preparation of 1,1,2,2-tetrachloroethane and trichloroethylene labelled with radioactive chlorine

    International Nuclear Information System (INIS)

    Smirnova, G.E.; Shalygin, V.A.; Zel'venskij, Ya.D.; Prosyanov, N.N.

    1980-01-01

    The chemical synthesis of 1,1,2,2-tetrachloroethane is carried out. 1,2,2,2-tetrachloroethane is labelled with radioactive chlorine by chlorinating the mixture of cis-, transisomeres of dichlorethylene with elementary chlorine. Trichloroethylene labelled with radioactive chlorine is prepared by the effect of alkali alcohol solution on radioactive 1,1,2,2-tetrachloroethane

  6. Fermionic flows and tau function of the n = (1|1) superconformal Toda lattice hierarchy

    International Nuclear Information System (INIS)

    Lechtenfeld, O.; Sorin, A.

    1998-01-01

    An infinite class of fermionic flows of the N = (1|1) superconformal Toda lattice hierarchy is constructed and their algebraic structure is studied. We completely solve the semi-infinite N = (1|1) Toda lattice and chain hierarchies and derive their tau functions, which may be relevant for building supersymmetric matrix models. Their bosonic limit is also discussed

  7. Characterization Results for the L(2, 1, 1-Labeling Problem on Trees

    Directory of Open Access Journals (Sweden)

    Zhang Xiaoling

    2017-08-01

    Full Text Available An L(2, 1, 1-labeling of a graph G is an assignment of non-negative integers (labels to the vertices of G such that adjacent vertices receive labels with difference at least 2, and vertices at distance 2 or 3 receive distinct labels. The span of such a labelling is the difference between the maximum and minimum labels used, and the minimum span over all L(2, 1, 1-labelings of G is called the L(2, 1, 1-labeling number of G, denoted by λ2,1,1(G. It was shown by King, Ras and Zhou in [The L(h, 1, 1-labelling problem for trees, European J. Combin. 31 (2010 1295–1306] that every tree T has Δ2(T − 1 ≤ λ2,1,1(T ≤ Δ2(T, where Δ2(T = maxuv∈E(T(d(u + d(v. And they conjectured that almost all trees have the L(2, 1, 1-labeling number attain the lower bound. This paper provides some sufficient conditions for λ2,1,1(T = Δ2(T. Furthermore, we show that the sufficient conditions we provide are also necessary for trees with diameter at most 6.

  8. USEEIO v1.1 - Elementary Flows and Life Cycle Impact Assessment (LCIA) Characterization Factors

    Data.gov (United States)

    U.S. Environmental Protection Agency — This dataset is part of the USEEIO v1.1 model release. It provides the elementary flows used in the USEEIO v1.1 Satellite Tables (DOI: 10.23719/1365565) and their...

  9. 77 FR 9865 - Clarification on the Division 1.1 Fireworks Approvals Policy

    Science.gov (United States)

    2012-02-21

    ... 173 [Docket No. PHMSA-2011-0157; Notice No. 11-6] Clarification on the Division 1.1 Fireworks.... 11-6 clarifying PHMSA's policy regarding the fireworks approvals program. Furthermore, in this... applications for Division 1.1 fireworks that have been examined and assigned a recommended shipping description...

  10. Performance of the 4-mg intravenous dexamethasone suppression test in differentiating Cushing disease from pseudo-Cushing syndrome.

    Science.gov (United States)

    Nouvel, Migueline; Rabilloud, Muriel; Raverot, Véronique; Subtil, Fabien; Vouillarmet, Julien; Thivolet, Charles; Jouanneau, Emmanuel; Borson-Chazot, Françoise; Pugeat, Michel; Raverot, Gérald

    2016-02-01

    Discriminating Cushing disease (CD) from pseudo-Cushing syndrome (PCS) is a challenging task that may be overcome with the 4-mg intravenous (IV) dexamethasone suppression test (DST). Assess the performance of the 4-mg IV DST in the differential diagnosis between CD and PCS in well-characterized patients. Retrospective comparative study of subjects seen in a tertiary care unit (November 2008 to July 2011). Thirty-six patients with PCS and 32 patients with CD underwent 4-mg IV dexamethasone infusions from 11 am to 3 pm. Areas Under ROC Curves (AUCs) were estimated and compared for ACTH and cortisol measured at 4 pm the same day (day 1) and 8 am the next day (day 2). The ROC curve of the marker with the highest AUC was used to determine the threshold with the highest specificity for 100% sensitivity. The AUC of ACTH at 8 am on day 2 was estimated at 98.4% (95% CI: [92.1-100]), which is significantly greater than that of ACTH at 4 pm on day 1 (P=0.04) and that of cortisol at 8 am on day 2 (P=0.05). For ACTH at 8 am on day 2, the threshold with the highest specificity for 100% sensitivity was estimated at 14.8 ng/L. At this threshold, the sensitivity was estimated at 100% [89-100] and the specificity at 83.3% [67-94]. The 4-mg IV DST is an easy and accurate tool in distinguishing CD from PCS. It deserves thus a better place in establishing the diagnosis of CD. Copyright © 2015 Elsevier Masson SAS. All rights reserved.

  11. The Influence of MgH2 on the Assessment of Electrochemical Data to Predict the Degradation Rate of Mg and Mg Alloys

    Directory of Open Access Journals (Sweden)

    Wolf-Dieter Mueller

    2014-06-01

    Full Text Available Mg and Mg alloys are becoming more and more of interest for several applications. In the case of biomaterial applications, a special interest exists due to the fact that a predictable degradation should be given. Various investigations were made to characterize and predict the corrosion behavior in vitro and in vivo. Mostly, the simple oxidation of Mg to Mg2+ ions connected with adequate hydrogen development is assumed, and the negative difference effect (NDE is attributed to various mechanisms and electrochemical results. The aim of this paper is to compare the different views on the corrosion pathway of Mg or Mg alloys and to present a neglected pathway based on thermodynamic data as a guideline for possible reactions combined with experimental observations of a delay of visible hydrogen evolution during cyclic voltammetry. Various reaction pathways are considered and discussed to explain these results, like the stability of the Mg+ intermediate state, the stability of MgH2 and the role of hydrogen overpotential. Finally, the impact of MgH2 formation is shown as an appropriate base for the prediction of the degradation behavior and calculation of the corrosion rate of Mg and Mg alloys.

  12. CO adsorption on PdGa(1 0 0), (1 1 1) and (1{sup ¯}1{sup ¯}1{sup ¯}) surfaces: A DFT study

    Energy Technology Data Exchange (ETDEWEB)

    Bechthold, P.; Ardhengi, J.S.; Juan, A., E-mail: cajuan@uns.edu.ar; González, E.A.; Jasen, P.V.

    2014-10-01

    Graphical abstract: - Highlights: • CO adsorption is top on Pd sites for all surfaces. • Our results agree with TDS peak at 210 K for PdGa (1{sup ¯}1{sup ¯}1{sup ¯}) attributed to CO-Pd bond. • Pd-CO bond is formed at expenses of metal-metal bond. No Ga-CO interaction is found. • A back-donation for all surfaces was detected. After adsorption Pd PDOS shift towards lower energies. • IR frequencies for the C-O adsorbed presents a red shift compared to gas phase. - Abstract: CO adsorption on (1 0 0), (1 1 1) and (1{sup ¯}1{sup ¯}1{sup ¯}) planes is analyzed using density functional theory (DFT) calculations. Changes in the electronic structure of these surfaces and CO bond after adsorption are also addressed here. CO is located on Pd atop geometry with a tilted configuration of 7.8° in the (1 0 0) plane, while in the (1 1 1) and (1{sup ¯}1{sup ¯}1{sup ¯}) are perpendicular to the surface. No direct interaction of CO with Ga is detected. The overlap population (OP) of Pd-Pd and Pd-Ga bond decreases as the new Pd-CO bond is formed. In all cases, the C-O bond length changes less than 1% compared to the vacuum but its strength decrease about 50% as determined by the changes in the OP. The effect of CO is limited to its first Pd neighbor. Analysis of orbital interaction reveals that Pd-CO bond mainly involves s-s and s-p orbitals with less participation of Pd 4d orbitals. Computed CO vibration frequencies after adsorption shows a red shift from vacuum towards 1972.9, 1990.4 and 1988.6 cm{sup −1} on (1 0 0), (1 1 1) and (1{sup ¯}1{sup ¯}1{sup ¯}) planes respectively, following the same trend that experimental data on the PdGa intermetallic compound.

  13. Crystal structures of two mononuclear complexes of terbium(III nitrate with the tripodal alcohol 1,1,1-tris(hydroxymethylpropane

    Directory of Open Access Journals (Sweden)

    Thaiane Gregório

    2017-02-01

    Full Text Available Two new mononuclear cationic complexes in which the TbIII ion is bis-chelated by the tripodal alcohol 1,1,1-tris(hydroxymethylpropane (H3LEt, C6H14O3 were prepared from Tb(NO33·5H2O and had their crystal and molecular structures solved by single-crystal X-ray diffraction analysis after data collection at 100 K. Both products were isolated in reasonable yields from the same reaction mixture by using different crystallization conditions. The higher-symmetry complex dinitratobis[1,1,1-tris(hydroxymethylpropane]terbium(III nitrate dimethoxyethane hemisolvate, [Tb(NO32(H3LEt2]NO3·0.5C4H10O2, 1, in which the lanthanide ion is 10-coordinate and adopts an s-bicapped square-antiprismatic coordination geometry, contains two bidentate nitrate ions bound to the metal atom; another nitrate ion functions as a counter-ion and a half-molecule of dimethoxyethane (completed by a crystallographic twofold rotation axis is also present. In product aquanitratobis[1,1,1-tris(hydroxymethylpropane]terbium(III dinitrate, [Tb(NO3(H3LEt2(H2O](NO32, 2, one bidentate nitrate ion and one water molecule are bound to the nine-coordinate terbium(III centre, while two free nitrate ions contribute to charge balance outside the tricapped trigonal-prismatic coordination polyhedron. No free water molecule was found in either of the crystal structures and, only in the case of 1, dimethoxyethane acts as a crystallizing solvent. In both molecular structures, the two tripodal ligands are bent to one side of the coordination sphere, leaving room for the anionic and water ligands. In complex 2, the methyl group of one of the H3LEt ligands is disordered over two alternative orientations. Strong hydrogen bonds, both intra- and intermolecular, are found in the crystal structures due to the number of different donor and acceptor groups present.

  14. The role of MgO content in ex situ MgB2 wires

    DEFF Research Database (Denmark)

    Kovac, P.; Hugek, I.; Meligek, T.

    2004-01-01

    An experimental study of the effect of MgO content in the MgB2 powder used for ex situ made composite wires was carried out. Two single-core MgB2/Fe/Cu wires were made using commercial MgB2 powders from Alfa Aesar containing different fraction of MgO. Critical temperature and critical currents of...

  15. Positron annihilation study of formation of Mg vacancy in MgO

    International Nuclear Information System (INIS)

    Mizuno, M.; Araki, H.; Shirai, Y.; Inoue, Y.; Sugita, K.; Mizoguchi, T.; Tanaka, I.; Adachi, H.

    2004-01-01

    We have investigated the formation of Mg vacancy induced by ultra-dilute trivalent impurities in MgO by a combination of positron annihilation measurement and theoretical calculations of positron lifetimes. The undoped MgO yields the shortest positron lifetime of 130 ps that is shorter than that of 166 ps previously reported using a single crystal sample. The positron lifetime of the doped samples increases with the increase of the Al or Ga dopant concentration and is saturated at around 170 ps. This result indicates that the previously reported value of 166 ps is ascribed to not the bulk but the vacancy state induced by impurities. The experimental bulk lifetime of 130 ps, which is obtained by employing trapping model, is well reproduced by the theoretical calculation using the semiconductor model. The calculated defect lifetime is about 20 ps longer than the experimental value. This may be due to the lattice relaxation around Mg vacancy associated with the trapping of positrons. (orig.)

  16. Positron annihilation study of formation of Mg vacancy in MgO

    Energy Technology Data Exchange (ETDEWEB)

    Mizuno, M.; Araki, H.; Shirai, Y. [Science and Technology Center for Atoms, Molecules and Ions Control, Osaka Univ., Osaka (Japan); Inoue, Y.; Sugita, K. [Dept. of Materials Science and Engineering, Osaka Univ., Osaka (Japan); Mizoguchi, T.; Tanaka, I.; Adachi, H. [Dept. of Materials Science and Engineering, Kyoto Univ., Kyoto (Japan)

    2004-07-01

    We have investigated the formation of Mg vacancy induced by ultra-dilute trivalent impurities in MgO by a combination of positron annihilation measurement and theoretical calculations of positron lifetimes. The undoped MgO yields the shortest positron lifetime of 130 ps that is shorter than that of 166 ps previously reported using a single crystal sample. The positron lifetime of the doped samples increases with the increase of the Al or Ga dopant concentration and is saturated at around 170 ps. This result indicates that the previously reported value of 166 ps is ascribed to not the bulk but the vacancy state induced by impurities. The experimental bulk lifetime of 130 ps, which is obtained by employing trapping model, is well reproduced by the theoretical calculation using the semiconductor model. The calculated defect lifetime is about 20 ps longer than the experimental value. This may be due to the lattice relaxation around Mg vacancy associated with the trapping of positrons. (orig.)

  17. Surface treatments for controlling corrosion rate of biodegradable Mg and Mg-based alloy implants

    International Nuclear Information System (INIS)

    Uddin, M S; Hall, Colin; Murphy, Peter

    2015-01-01

    Due to their excellent biodegradability characteristics, Mg and Mg-based alloys have become an emerging material in biomedical implants, notably for repair of bone as well as coronary arterial stents. However, the main problem with Mg-based alloys is their rapid corrosion in aggressive environments such as human bodily fluids. Previously, many approaches such as control of alloying materials, composition and surface treatments, have been attempted to regulate the corrosion rate. This article presents a comprehensive review of recent research focusing on surface treatment techniques utilised to control the corrosion rate and surface integrity of Mg-based alloys in both in vitro and in vivo environments. Surface treatments generally involve the controlled deposition of thin film coatings using various coating processes, and mechanical surfacing such as machining, deep rolling or low plasticity burnishing. The aim is to either make a protective thin layer of a material or to change the micro-structure and mechanical properties at the surface and sub-surface levels, which will prevent rapid corrosion and thus delay the degradation of the alloys. We have organised the review of past works on coatings by categorising the coatings into two classes—conversion and deposition coatings—while works on mechanical treatments are reviewed based on the tool-based processes which affect the sub-surface microstructure and mechanical properties of the material. Various types of coatings and their processing techniques under two classes of coating and mechanical treatment approaches have been analysed and discussed to investigate their impact on the corrosion performance, biomechanical integrity, biocompatibility and cell viability. Potential challenges and future directions in designing and developing the improved biodegradable Mg/Mg-based alloy implants were addressed and discussed. The literature reveals that no solutions are yet complete and hence new and innovative approaches

  18. Efficacy of 5MG and 10MG rosuvastatin in type-2 diabetes mellitus with hypercholesteroalemia

    International Nuclear Information System (INIS)

    Ullah, F.; Rahim, F.; Rahman, S.U.; Ashfaq, M.; Afridi, A.K.

    2015-01-01

    Background: Coronary Heart Disease (CHD) is the most important complication and the leading cause of death in patients with type 2 diabetes mellitus (T2DM). Hypercholesterolemia is an important modifiable risk factor for CHD. Statins are the first line drugs for the treatment of hypercholesterolemia in DM. Comparative studies between different statins are available but different doses of the same statin have not been compared in our population. The objective of this study is to compare mean reduction in serum LDL-C level after using 5mg and 10mg of rosuvastatin among T2DM patients with hypercholesterolemia. This study will help finding lowest effective dose of rosuvastatin to achieve internationally set low density lipoprotein cholesterol (LDL-C) goals. Method: A total of 82 patients with T2DM having fasting LDL-C levels equal or more than 100mg/dl were randomly allocated into two groups with 41 patients in each group. Baseline fasting serum LCL-C levels were obtained in all patients. Group A received 5mg while group B received 10mg of rosuvastatin daily at night. After 6 weeks, fasting LDL-C levels were obtained and analysed to compare the mean±SD reduction of LDL-C levels in both groups. Results: Baseline mean±SD LDL-C levels in group A and group B were 134.12±30.02 and 143.49±32.01 respectively (p 0.176). Follow up mean ± SD LDL-C levels were 81.59±28.47 and 83.24±36.06 respectively (p 0.818). Mean ± SD reduction in LDL-C levels from baseline levels in group A and group B were 52.51±19.49 and 60.20±24.09 (p 0.116). Conclusion: Rosuvastatin 5mg is as effective as 10mg in reducing the LDL-C levels in type 2 diabetic patients with hypercholesterolemia. (author)

  19. Surface treatments for controlling corrosion rate of biodegradable Mg and Mg-based alloy implants

    Science.gov (United States)

    Uddin, M S; Hall, Colin; Murphy, Peter

    2015-01-01

    Due to their excellent biodegradability characteristics, Mg and Mg-based alloys have become an emerging material in biomedical implants, notably for repair of bone as well as coronary arterial stents. However, the main problem with Mg-based alloys is their rapid corrosion in aggressive environments such as human bodily fluids. Previously, many approaches such as control of alloying materials, composition and surface treatments, have been attempted to regulate the corrosion rate. This article presents a comprehensive review of recent research focusing on surface treatment techniques utilised to control the corrosion rate and surface integrity of Mg-based alloys in both in vitro and in vivo environments. Surface treatments generally involve the controlled deposition of thin film coatings using various coating processes, and mechanical surfacing such as machining, deep rolling or low plasticity burnishing. The aim is to either make a protective thin layer of a material or to change the micro-structure and mechanical properties at the surface and sub-surface levels, which will prevent rapid corrosion and thus delay the degradation of the alloys. We have organised the review of past works on coatings by categorising the coatings into two classes—conversion and deposition coatings—while works on mechanical treatments are reviewed based on the tool-based processes which affect the sub-surface microstructure and mechanical properties of the material. Various types of coatings and their processing techniques under two classes of coating and mechanical treatment approaches have been analysed and discussed to investigate their impact on the corrosion performance, biomechanical integrity, biocompatibility and cell viability. Potential challenges and future directions in designing and developing the improved biodegradable Mg/Mg-based alloy implants were addressed and discussed. The literature reveals that no solutions are yet complete and hence new and innovative approaches

  20. Electrochemical investigation of the surface energy: Effect of the HF concentration on electroless silver deposition onto p-Si (1 1 1)

    International Nuclear Information System (INIS)

    Ye Weichun; Chang Yanlong; Ma Chuanli; Jia Bingyu; Cao Guiyan; Wang Chunming

    2007-01-01

    Electroless silver deposition onto p-silicon (1 1 1) from 0.005 mol l -1 AgNO 3 solutions with different HF concentration was investigated by using an electrochemical direct current polarization method and open circuit potential-time (Ocp-t) technique. The fact that three-dimensional (3D) growth of silver onto silicon is favored with increasing the HF concentration was ascribed to the drop of the surface energy and approved by electrochemical direct current polarization, Ocp-t technique and atomic force microscopy (AFM). The drop slope of open-circuit potential, K -ΔE(OCP)/t , was educed from the mixed-potential theory. K -ΔE(OCP)/t as well as the deposition rate determined by an inductively coupled plasma atomic emission spectrometry (ICP-AES), increased with the HF concentration, yet was not a linear function. Results were explained by the stress generation and relaxation mechanisms

  1. Tetrahedral cluster and pseudo molecule: New approaches to Calculate Absolute Surface Energy of Zinc Blende (111)/(-1-1-1) Surface

    Science.gov (United States)

    Zhang, Yiou; Zhang, Jingzhao; Tse, Kinfai; Wong, Lun; Chan, Chunkai; Deng, Bei; Zhu, Junyi

    Determining accurate absolute surface energies for polar surfaces of semiconductors has been a great challenge in decades. Here, we propose pseudo-hydrogen passivation to calculate them, using density functional theory approaches. By calculating the energy contribution from pseudo-hydrogen using either a pseudo molecule method or a tetrahedral cluster method, we obtained (111)/(-1-1-1) surfaces energies of Si, GaP, GaAs, and ZnS with high self-consistency. Our findings may greatly enhance the basic understandings of different surfaces and lead to novel strategies in the crystal growth. We would like to thank Su-huai Wei for helpful discussions. Computing resources were provided by the High Performance Cluster Computing Centre, Hong Kong Baptist University. This work was supported by the start-up funding and direct Grant with the Project.

  2. Iron on GaN(0001) pseudo-1 × 1 (1+1/(12) ) investigated by scanning tunneling microscopy and first-principles theory

    Energy Technology Data Exchange (ETDEWEB)

    Lin, Wenzhi; Mandru, Andrada-Oana; Smith, Arthur R., E-mail: smitha2@ohio.edu [Department of Physics and Astronomy, Nanoscale and Quantum Phenomena Institute, Ohio University, Athens, Ohio 45701 (United States); Takeuchi, Noboru [Centro de Nanociencias y Nanotecnologia, Universidad Nacional Autonoma de Mexico Apartado Postal 14, Ensenada Baja California, Codigo Postal 22800 (Mexico); Al-Brithen, Hamad A. H. [Physics and Astronomy Department, King Abdulah Institute for Nanotechnology, King Saud University, Riyadh, Saudi Arabia, and National Center for Nano Technology, KACST, Riyadh (Saudi Arabia)

    2014-04-28

    We have investigated sub-monolayer iron deposition on atomically smooth GaN(0001) pseudo-1 × 1 (1+1/(12) ). The iron is deposited at a substrate temperature of 360 °C, upon which reflection high energy electron diffraction shows a transformation to a √(3)×√(3)-R30° pattern. After cooling to room temperature, the pattern transforms to a 6 × 6, and scanning tunneling microscopy reveals 6 × 6 reconstructed regions decorating the GaN step edges. First-principles theoretical calculations have been carried out for a range of possible structural models, one of the best being a Ga dimer model consisting of 2/9 monolayer of Fe incorporated into 7/3 monolayer of Ga in a relaxed but distorted structure.

  3. Electrical properties of the regrown implantation-induced amorphous layer on (1 1-bar 0 0)- and (1 1 2-bar 0)-oriented 6H-SiC

    International Nuclear Information System (INIS)

    Nakamura, Tomonori; Tanabe, Hitoshi; Hitomi, Takeshi; Satoh, Masataka

    2003-01-01

    In the (1 1-bar 0 0) and (1 1 2-bar 0)-oriented 6H-SiC, the electrical properties and activation process of the implanted phosphorus in the layer regrown from the implantation-induced amorphous layer are investigated by means of Hall effect measurement and Rutherford backscattering spectrometry. The samples are implanted by 60 keV phosphorus ions at room temperature with doses of 3 x 10 15 and 1 x 10 15 cm -2 to form implantation-induced amorphous layer and the partially disordered implant-layer, respectively. The implanted phosphorus in the implantation-induced amorphous layer can be electrically activated by annealing at 1000 deg. C. The electrical activity for the case of the implantation-induced amorphous layer (ratio of sheet carrier concentration to ion dose) is 2-3 times larger than that for the case of the partially disordered implant-layer for the annealing temperature of 1500 deg. C

  4. Structural, optical, and hydrogenation properties of ZnO nanowall networks grown on a Si (1 1 1) substrate by plasma-assisted molecular beam epitaxy

    International Nuclear Information System (INIS)

    Su, S.C.; Lu, Y.M.; Zhang, Z.Z.; Li, B.H.; Shen, D.Z.; Yao, B.; Zhang, J.Y.; Zhao, D.X.; Fan, X.W.

    2008-01-01

    ZnO nanowall networks were grown on a Si (1 1 1) substrate by plasma-assisted molecular beam epitaxy (P-MBE) without using catalysts. Scanning electronic microscopy (FE-SEM) confirmed the formation of nanowalls with a thickness of about 10-20 nm. X-ray diffraction (XRD) showed that the ZnO nanowall networks were crystallized in a wurtzite structure with their height parallel to the direction. Photoluminescence (PL) of the ZnO nanowall networks exhibited free excitons (FEs), donor-bound exciton (D 0 X), donor-acceptor pair (DAP), and free exciton to acceptor (FA) emissions. The growth mechanism of the ZnO nanowall networks was discussed, and their hydrogenation was also studied

  5. Periodic density functional theory study of ethylene hydrogenation over Co3O4 (1 1 1) surface: The critical role of oxygen vacancies

    International Nuclear Information System (INIS)

    Lu, Jinhui; Song, JiaJia; Niu, Hongling; Pan, Lun; Zhang, Xiangwen; Wang, Li; Zou, Ji-Jun

    2016-01-01

    Highlights: • H 2 dissociates in heterolytic way following H atoms migration to form O−H bond. • H 2 dissociation occurs at low temperature on perfect and oxygen defective Co 3 O 4 . • Oxygen vacancy promotes hydrogenation thermodynamically and kinetically. • O−H bond is weakened on oxygen defective surface. • Hydrogenation requires compromise between H−H activation and O−H breakage. - Abstract: Recently, metal oxides are attracting increasing interests as hydrogenation catalyst. Herein we studied the hydrogenation of ethylene on perfect and oxygen defective Co 3 O 4 (1 1 1) using periodic density functional theory. The energetics and pathways of ethylene hydrogenation to ethane were determined. We have demonstrated that (i) H 2 dissociation on Co 3 O 4 is a complicated two-step process through a heterolytic cleavage, followed by the migration of H atom and finally yields the homolytic product on both perfect and oxygen defective Co 3 O 4 (1 1 1) surfaces easily. (ii) After introducing the surface oxygen vacancy, the stepwise hydrogenation of ethylene by atomic hydrogen is much easier than that on perfect surface due to the weaker bond strength of OH group. The strength of O−H bond is a crucial factor for the hydrogenation reaction which involves the breakage of O−H bond. The formation of oxygen vacancy increases the electronic charges at the adjacent surface O, which reduces its capability of further gaining electrons from adsorbed atomic hydrogen and then weakens the strength of O−H bond. These results emphasize the importance of the oxygen vacancies for hydrogenation on metal oxides.

  6. High-density natural luffa sponge as anaerobic microorganisms carrier for degrading 1,1,1-TCA in groundwater.

    Science.gov (United States)

    Wang, Wenbing; Wu, Yanqing; Zhang, Chi

    2017-03-01

    Anaerobic microorganisms were applied to degrade organic contaminants in groundwater with permeable reactive barriers (PRBs). However, anaerobic microorganisms need to select optimal immobilizing material as carrier. The potential of high-density natural luffa sponge (HDLS) (a new variety of luffa) for the immobilization and protection of anaerobic microorganisms was investigated. The HDLS has a dense structure composed of a complicated interwoven fibrous network. Therefore, the abrasion rate of HDLS (0.0068 g s -1 ) was the smallest among the four carriers [HDLS, ordinary natural luffa sponge (OLS), polyurethane sponge (PS), and gel carrier AQUAPOROUSGEL (APG)]. The results suggest that it also had the greatest water retention (10.26 H 2 O-g dry carrier-g -1 ) and SS retention (0.21 g dry carrier-g -1 ). In comparison to well-established commercialized gel carrier APG, HDLS was of much better mechanical strength, hydrophilicity and stability. Microbial-immobilized HDLS also had the best performance for the remediation of 1,1,1-TCA simulated groundwater. Analysis of the clone libraries from microorganism-immobilized HDLS showed the HDLS could protect microorganisms from the toxicity of 1,1,1-TCA and maintain the stability of microbial community diversity. The mechanism of HDLS immobilizing and protecting microorganisms was proposed as follows. The HDLS had a micron-scale honeycomb structure (30-40 μm) and an irregular ravine structure (4-20 μm), which facilitate the immobilization of anaerobic microorganisms and protect the anaerobic microorganisms.

  7. Photoelectron spectroscopy and spectro-microscopy of Pb(Zr,Ti)O{sub 3} (1 1 1) thin layers: Imaging ferroelectric domains with binding energy contrast

    Energy Technology Data Exchange (ETDEWEB)

    Huşanu, Marius A.; Popescu, Dana G.; Tache, Cristian A. [National Institute of Materials Physics, Atomistilor 105b, 077125 Magurele-Ilfov (Romania); Apostol, Nicoleta G. [National Institute of Materials Physics, Atomistilor 105b, 077125 Magurele-Ilfov (Romania); Elettra Sincrotrone Trieste, S.S. 14 – km 163,5, Area Science Park, 34169 Basovizza-Trieste (Italy); Barinov, Alexei; Lizzit, Silvano; Lacovig, Paolo [Elettra Sincrotrone Trieste, S.S. 14 – km 163,5, Area Science Park, 34169 Basovizza-Trieste (Italy); Teodorescu, Cristian M., E-mail: teodorescu@infim.ro [National Institute of Materials Physics, Atomistilor 105b, 077125 Magurele-Ilfov (Romania)

    2015-10-15

    Graphical abstract: - Highlights: • Achievement of well ordered PZT(1 1 1) surfaces with reasonable low energy electron diffraction patterns and good stoichiometry. • Ability of photoelectron spectromicroscopy to visualize ferroelectric domains with contrast of binding energy. • Model taking into account the influence of photogenerated carriers on the depolarization field and its torque on the polarization vector. • Evidence of domain wall migration induced by photogenerated carriers. • Segregation of metal Pb only on areas with out-of-plane component of the polarization pointing outwards. - Abstract: The ability of photoelectron spectro-microscopy with sub-micrometer lateral resolution to identify ferroelectric domains by analysis of surface band bendings is demonstrated on lead zirco-titanate PZT(1 1 1) thin films grown by pulsed laser deposition. Conventional synchrotron radiation X-ray photoelectron spectroscopy allowed one to derive the surface composition of the sample and evidenced shifts toward higher binding energy when the sample is subject to intense soft X-ray beam. A basic model is developed which supposes that photogenerated carriers reduce the depolarization field, yielding a lower torque applied to the ferroelectric polarization. As a consequence, the out-of-plane component of the polarization increases. Domain migration during irradiation with soft X-ray is inferred from the relative amplitude of the components with different binding energy. When the flux density of soft X-ray is on the order of 10{sup 11} photons/(s μm{sup 2}), metal Pb clusters are formed at the surface on areas with the out-of-plane component of the polarization pointing outwards only.

  8. Morphological and electrical properties of self-assembled iron silicide nanoparticles on Si(0 0 1) and Si(1 1 1) substrates

    International Nuclear Information System (INIS)

    Molnár, G.; Dózsa, L.; Erdélyi, R.; Vértesy, Z.; Osváth, Z.

    2015-01-01

    Highlights: • Epitaxial iron silicide nanostructures were grown on Si(1 1 1) and Si(0 0 1) substrates. • The size and shape of the particles are the function of the thickness and annealing. • The local current–voltage characteristics were measured by conductive AFM. • The different size and shape nanoparticles show similar I–V characteristics. • The tip current is dominated in few nm size sites, visible in the AFM phase image. - Abstract: Epitaxial iron silicide nanostructures are grown by solid phase epitaxy on Si(0 0 1) and Si(1 1 1), and by reactive deposition epitaxy on Si(0 0 1) substrates. The formation process is monitored by reflection high-energy electron diffraction. The morphology, size, and electrical properties of the nanoparticles are investigated by scanning electron microscopy, by electrically active scanning probe microscopy, and by confocal Raman spectroscopy. The results show that the shape, size, orientation, and density of the nanoobjects can be tuned by self-assembly, controlled by the lattice misfit between the substrates and iron silicides. The size distribution and shape of the grown nanoparticles depend on the substrate orientation, on the initial thickness of the evaporated iron, on the temperature and time of the annealing, and on the preparation method. The so-called Ostwald ripening phenomena, which state that the bigger objects develop at the expense of smaller ones, controls the density of the nanoparticles. Raman spectra show the bigger objects do not contain β-FeSi 2 phase. The different shape nanoparticles exhibit small, about 100 mV barrier compared to the surrounding silicon. The local leakage current of the samples measured by conductive AFM using a Pt coated Si tip is localized in a few nanometers size sites, and the sites which we assume are very small silicide nanoparticles or point defects.

  9. Stress dependence of the Peierls barrier of 1/2〈1 1 1〉 screw dislocations in bcc metals

    International Nuclear Information System (INIS)

    Gröger, R.; Vitek, V.

    2013-01-01

    The recently formulated constrained nudged elastic band method with atomic relaxations (NEB + r) (Gröger R, Vitek V. Model Simul Mater Sci Eng 2012;20:035019) is used to investigate the dependence of the Peierls barrier of 1/2〈1 1 1〉 screw dislocations in body-centered cubic metals on non-glide stresses. These are the shear stresses parallel to the slip direction acting in the planes of the 〈1 1 1〉 zone different from the slip plane, and the shear stresses perpendicular to the slip direction. Both these shear stresses modify the structure of the dislocation core and thus alter both the Peierls barrier and the related Peierls stress. Understanding of this effect of loading is crucial for the development of mesoscopic models of thermally activated dislocation motion via formation and propagation of pairs of kinks. The Peierls stresses and related choices of the glide planes determined from the Peierls barriers agree with the results of molecular statics calculations (Gröger R, Bailey AG, Vitek V. Acta Mater 2008;56:5401), which demonstrates that the NEB + r method is a reliable tool for determining the variation in the Peierls barrier with the applied stress. However, such calculations are very time consuming, and it is shown here that an approximate approach of determining the stress dependence of the Peierls barrier (proposed in Gröger R, Vitek V. Acta Mater 2008;56:5426) can be used, combined with test calculations employing the NEB + r method

  10. Comparison of initial loading doses of 5 mg and 10 mg for warfarin therapy

    Directory of Open Access Journals (Sweden)

    Sidnei Lastória

    2014-03-01

    Full Text Available CONTEXT: The question of what is the best loading dosage of warfarin when starting anticoagulant treatment has been under discussion for ten years. We were unable to find any comparative studies of these characteristics conducted here in Brazil. OBJECTIVE: To compare the safety and efficacy of two initial warfarin dosage regimens for anticoagulant treatment. METHODS: One-hundred and ten consecutive patients of both sexes, with indications for anticoagulation because of venous or arterial thromboembolism, were analyzed prospectively. During the first 3 days of treatment, these patients were given adequate heparin to keep aPTT (activated partial thromboplastin time between 1.5 and 2.5, plus 5 mg of warfarin. From the fourth day onwards, their warfarin doses were adjusted using International Normalized Ratios (INR; target range: 2 to 3. This prospective cohort was compared with a historical series of 110 patients had been given 10 mg of warfarin on the first 2 days and 5 mg on the third day with adjustments based on INR thereafter. Outcomes analyzed were as follows: recurrence of thromboembolism, bleeding events and time taken to enter the therapeutic range. RESULTS: Efficacy, safety and length of hospital stay were similar in both samples. The sample that were given 10 mg entered the therapeutic range earlier (means: 4.5 days vs. 5.8 days, were on lower doses at discharge and had better therapeutic indicators at the first return appointment. CONCLUSIONS: The 10 mg dosage regimen took less time to attain the therapeutic range and was associated with lower warfarin doses at discharge and better INR at first out-patients follow-up visit.

  11. Reproducible increased Mg incorporation and large hole concentration in GaN using metal modulated epitaxy

    International Nuclear Information System (INIS)

    Burnham, Shawn D.; Doolittle, W. Alan; Namkoong, Gon; Look, David C.; Clafin, Bruce

    2008-01-01

    The metal modulated epitaxy (MME) growth technique is reported as a reliable approach to obtain reproducible large hole concentrations in Mg-doped GaN grown by plasma-assisted molecular-beam epitaxy on c-plane sapphire substrates. An extremely Ga-rich flux was used, and modulated with the Mg source according to the MME growth technique. The shutter modulation approach of the MME technique allows optimal Mg surface coverage to build between MME cycles and Mg to incorporate at efficient levels in GaN films. The maximum sustained concentration of Mg obtained in GaN films using the MME technique was above 7x10 20 cm -3 , leading to a hole concentration as high as 4.5x10 18 cm -3 at room temperature, with a mobility of 1.1 cm 2 V -1 s -1 and a resistivity of 1.3 Ω cm. At 580 K, the corresponding values were 2.6x10 19 cm -3 , 1.2 cm 2 V -1 s -1 , and 0.21 Ω cm, respectively. Even under strong white light, the sample remained p-type with little change in the electrical parameters

  12. Reproducible increased Mg incorporation and large hole concentration in GaN using metal modulated epitaxy

    Science.gov (United States)

    Burnham, Shawn D.; Namkoong, Gon; Look, David C.; Clafin, Bruce; Doolittle, W. Alan

    2008-07-01

    The metal modulated epitaxy (MME) growth technique is reported as a reliable approach to obtain reproducible large hole concentrations in Mg-doped GaN grown by plasma-assisted molecular-beam epitaxy on c-plane sapphire substrates. An extremely Ga-rich flux was used, and modulated with the Mg source according to the MME growth technique. The shutter modulation approach of the MME technique allows optimal Mg surface coverage to build between MME cycles and Mg to incorporate at efficient levels in GaN films. The maximum sustained concentration of Mg obtained in GaN films using the MME technique was above 7×1020cm-3, leading to a hole concentration as high as 4.5×1018cm-3 at room temperature, with a mobility of 1.1cm2V-1s-1 and a resistivity of 1.3Ωcm. At 580K, the corresponding values were 2.6×1019cm-3, 1.2cm2V-1s-1, and 0.21Ωcm, respectively. Even under strong white light, the sample remained p-type with little change in the electrical parameters.

  13. Polarization due to dust scattering in the planetary nebula Cn1-1

    International Nuclear Information System (INIS)

    Bhatt, H.C.

    1989-01-01

    The peculiar emission-line object Cn1-1 (=HDE330036=PK330+4 degrees 1), classified both as a symbiotic star and as a planetary nebula, was detected by the Infrared Astronomical Satellite (IRAS) as a strong source of far-infrared dust in the system. Bhatt and Mallik (1986) discussed the nature of the dust in Cn1-1 and argued that the object is a Type I protoplanetary nebula in a binary system. The argument presented here is that the polarization is intrinsic to Cn1-1 and is due to scattering by large (compared to interstellar) dust grains in the protoplanetary nebula that are asymmetrically distributed around the central star. The large degree of polarization (approximately 3 percent for the Cn1-1 distance of approximately 450 pc) with a large lambda(sub max) is naturally explained if it is caused by scattering by large dust grains in the Cn1-1 nebula. Since the H(sub alpha) line is also polarized at the same level and position angle as the continuum, the dust must be asymmetrically distributed around the central star. The morphology of the protoplanetary nebula in Cn1-1 may be bipolar. Thus, the polarization observations support the suggestion that Cn1-1 is a bipolar Type I planetary nebula

  14. Coherent states for a polynomial su(1, 1) algebra and a conditionally solvable system

    International Nuclear Information System (INIS)

    Sadiq, Muhammad; Inomata, Akira; Junker, Georg

    2009-01-01

    In a previous paper (2007 J. Phys. A: Math. Theor. 40 11105), we constructed a class of coherent states for a polynomially deformed su(2) algebra. In this paper, we first prepare the discrete representations of the nonlinearly deformed su(1, 1) algebra. Then we extend the previous procedure to construct a discrete class of coherent states for a polynomial su(1, 1) algebra which contains the Barut-Girardello set and the Perelomov set of the SU(1, 1) coherent states as special cases. We also construct coherent states for the cubic algebra related to the conditionally solvable radial oscillator problem.

  15. Mechanical behaviour of Zn–Al–Cu–Mg alloys: Deformation mechanisms of as-cast microstructures

    International Nuclear Information System (INIS)

    Wu, Zhicheng; Sandlöbes, Stefanie; Wu, Liang; Hu, Weiping; Gottstein, Günter; Korte-Kerzel, Sandra

    2016-01-01

    We study the effects of dilute Mg addition on the microstructure formation and mechanical properties of a ZnAl4Cu1 alloy. On the basis of the composition of the commercial alloy Z410 (4 wt% Al, 1 wt% Cu, and 0.04 wt% Mg), three laboratory alloys with different Mg contents (0.04 wt%, 0.21 wt% and 0.31 wt%) are characterised in terms of their mechanical properties and microstructures using ex-situ and in-situ tensile tests in conjunction with scanning electron microscopy (SEM) and electron backscatter diffraction (EBSD). Increasing Mg content causes the precipitation of Mg_2Zn_1_1 phase precipitates and refined lamellar spacings in the eutectoid phase. The alloy with a medium Mg content (0.21 wt%) exhibits the highest yield strength both at room temperature and at elevated temperatures. Further, we show that dilute Mg alloying causes an improvement of the ductility of ZnAl4Cu1 base-alloys, especially at elevated temperatures. In addition, the alloys reveal two distinct deformation regimes distinguishable close to room temperature and at commonly employed strain rates, with work hardening and brittle fracture exhibited at room temperature and/or elevated strain rate (5×10"−"4 s"−"1), and work softening and ductile fracture at elevated temperature and/or low strain rate (6×10"−"6 s"−"1). The deformation mechanisms and fracture behaviour in both regimes are investigated and the underlying physical mechanisms of the observed phenomena are discussed.

  16. Performance of Mg-14Li-1Al-0.1Ce as anode for Mg-air battery

    Energy Technology Data Exchange (ETDEWEB)

    Ma, Yibin; Li, Deyu [School of Chemical Engineering and Technology, Harbin Institute of Technology, West Street No. 92, Harbin 150001 (China); Li, Ning [School of Chemical Engineering and Technology, Harbin Institute of Technology, West Street No. 92, Harbin 150001 (China); Key Laboratory of Superlight Materials and Surface Technology, Ministry of Education, Harbin Engineering University, Harbin 150001 (China); Zhang, Milin; Huang, Xiaomei [Key Laboratory of Superlight Materials and Surface Technology, Ministry of Education, Harbin Engineering University, Harbin 150001 (China)

    2011-02-15

    In this research, a new Mg-air battery based on Mg-14Li-1Al-0.1Ce was prepared and the battery performance was investigated by constant current discharge test. The corrosion behavior of Mg, AZ31 and Mg-Li-Al-Ce were studied by self-corrosion rate measurement and potentiodynamic polarization measurement. The characteristics of Mg-Li-Al-Ce after discharge were investigated by electrochemical impedance spectroscopy (EIS), scanning electron microscopy (SEM) and X-ray diffraction (XRD). The results show that Mg-Li-Al-Ce is more active than Mg and AZ31. The self-corrosion rate is found to be in the order: Mg-Li-Al-Ce < Mg < AZ31. It has been observed that the Mg-air battery based on Mg-Li-Al-Ce offers higher operating voltage, anodic efficiency and capacity than those with Mg and AZ31. SEM and EIS results show that the discharge product of Mg-Li-Al-Ce is loosely adhered to the alloy surface, and thus Mg-Li-Al-Ce could keep high discharge activity during discharge. (author)

  17. Photodissociation spectroscopy of the Mg+-acetic acid complex

    Science.gov (United States)

    Abate, Yohannes; Kleiber, P. D.

    2006-11-01

    We have studied the structure and photodissociation of Mg+-acetic acid clusters. Ab initio calculations suggest four relatively strongly bound ground state isomers for the [MgC2H4O2]+ complex. These isomers include the cis and trans forms of the Mg+-acetic acid association complex with Mg+ bonded to the carbonyl O atom of acetic acid, the Mg+-acetic acid association complex with Mg+ bonded to the hydroxyl O atom of acetic acid, or to a Mg+-ethenediol association complex. Photodissociation through the Mg+-based 3p←3s absorption bands in the near UV leads to direct (nonreactive) and reactive dissociation products: Mg+, MgOH+, Mg(H2O )+, CH3CO+, and MgCH3+. At low energies the dominant reactive quenching pathway is through dehydration to Mg(H2O)+, but additional reaction channels involving C-H and C-C bond activation are also open at higher energies.

  18. Microstructure of epitaxial SrRuO 3 thin films on MgO substrates

    Science.gov (United States)

    Ai, Wan Yong; Zhu, Jun; Zhang, Ying; Li, Yan Rong; Liu, Xing Zhao; Wei, Xian Hua; Li, Jin Long; Zheng, Liang; Qin, Wen Feng; Liang, Zhu

    2006-09-01

    SrRuO 3 thin films have been grown on singular (1 0 0) MgO substrates using pulsed laser deposition (PLD) in 30 Pa oxygen ambient and at a temperature of 400-700 °C. Ex situ reflection high-energy electron diffraction (RHEED) as well as X-ray diffraction (XRD) θ/2 θ scan indicated that the films deposited above 650 °C were well crystallized though they had a rough surface as shown by atom force microscopy (AFM). XRD Φ scans revealed that these films were composed of all three different types of orientation domains, which was further confirmed by the RHEED patterns. The heteroepitaxial relationship between SrRuO 3 and MgO was found to be [1 1 0] SRO//[1 0 0] MgO and 45°-rotated cube-on-cube [0 0 1] SRO//[1 0 0] MgO. These domain structures and surface morphology are similar to that of ever-reported SrRuO 3 thin films deposited on the (0 0 1) LaAlO 3 substrates, and different from those deposited on (0 0 1) SrTiO 3 substrates that have an atomically flat surface and are composed of only the [1 1 0]-type domains. The reason for this difference was ascribed to the effect of lattice mismatch across the film/substrate interface. The room temperature resistivity of SrRuO 3 films fabricated at 700 °C was 300 μΩ cm. Therefore, epitaxial SrRuO 3 films on MgO substrate could serve as a promising candidate of electrode materials for the fabrication of ferroelectric or dielectric films.

  19. Pregnane X receptor-dependent induction of the CYP3A4 gene by o,p'-1,1,1,-trichloro-2,2-bis (p-chlorophenyl)ethane.

    Science.gov (United States)

    Medina-Díaz, Irma M; Arteaga-Illán, Georgina; de León, Mario Bermudez; Cisneros, Bulmaro; Sierra-Santoyo, Adolfo; Vega, Libia; Gonzalez, Frank J; Elizondo, Guillermo

    2007-01-01

    CYP3A4, the predominant cytochrome P450 (P450) expressed in human liver and intestine, contributes to the metabolism of approximately half the drugs in clinical use today. CYP3A4 catalyzes the 6beta-hydroxylation of a number of steroid hormones and is involved in the bioactivation of environmental procarcinogens. The expression of CYP3A4 is affected by several stimuli, including environmental factors such as insecticides and pesticides. The o,p'-1,1,1,-trichloro-2,2-bis (p-chlorophenyl)ethane (DDT) isomer of DDT comprises approximately 20% of technical grade DDT, which is an organochloride pesticide. We have recently shown that o,p'-DDT exposure increases CYP3A4 mRNA levels in HepG2 cells. To determine the mechanism by which o,p'-DDT induces CYP3A4 expression, transactivation and electrophoretic mobility shift assays were carried out, revealing that o,p'-DDT activates the CYP3A4 gene promoter through the pregnane X receptor (PXR). CYP3A4 gene promoter activation resulted in both an increase in CYP3A4 mRNA levels and an increase in the total CYP3A4 activity in HepG2 cells. We also observed induction of CYP3A4 and mouse Cyp3a11 mRNA in the intestine of CYP3A4-transgenic mice after exposure to 1 mg/kg o,p'-DDT. At higher doses, a decrease of CYP3A4 inducibility was observed together with an increase in levels of interleukin 6 mRNA, a proinflammatory cytokine that strongly represses CYP3A4 transcription. The present study indicates that regulation of other genes under PXR control may be altered by o,p'-DDT exposure.

  20. China Dimensions Data Collection: China Administrative Regions GIS Data: 1:1M, County Level, 1990

    Data.gov (United States)

    National Aeronautics and Space Administration — China Administrative Regions GIS Data: 1:1M, County Level, 1990 consists of geographic boundary data for the administrative regions of China as of 31 December 1990....

  1. a rhetorical analysis of philippians 1:1-11 1. introduction

    African Journals Online (AJOL)

    ABSTRACT. The aim of this article is to analyse Philippians 1:1-11 from a rhetorical perspective ..... gospel. koinwniva includes, but is not limited to, the financial contri- butions of .... einsichtig”) and the whole statement tautological if one inter-.

  2. China Dimensions Data Collection: Fundamental GIS: Digital Chart of China, 1:1M, Version 1

    Data.gov (United States)

    National Aeronautics and Space Administration — Fundamental GIS: Digital Chart of China, 1:1M, Version 1 consists of vector maps of China and surrounding areas. The maps include roads, railroads, drainage systems,...

  3. IPCC IS92 Emissions Scenarios (A, B, C, D, E, F) Dataset Version 1.1

    Data.gov (United States)

    National Aeronautics and Space Administration — The Intergovernmental Panel on Climate Change (IPCC) IS92 Emissions Scenarios (A, B, C, D, E, F) Dataset Version 1.1 consists of six global and regional greenhouse...

  4. High heat load properties of nanostructured, recrystallized W–1.1TiC

    Energy Technology Data Exchange (ETDEWEB)

    Tokunaga, K., E-mail: tokunaga@riam.kyushu-u.ac.jp [Research Institute for Applied Mechanics, Kyushu University, Kasuga, Fukuoka 816-8580 (Japan); Kurishita, H.; Arakawa, H.; Matsuo, S. [International Research Center for Nuclear Materials Science, IMR, Tohoku University, Oarai, Ibaraki 311-1313 (Japan); Hotta, T. [Interdisciplinary Graduate School of Engineering Sciences, Kyushu University, Kasuga, Fukuoka 816-8580 (Japan); Araki, K.; Miyamoto, Y.; Fujiwara, T.; Nakamura, K. [Research Institute for Applied Mechanics, Kyushu University, Kasuga, Fukuoka 816-8580 (Japan); Takida, T.; Kato, M.; Ikegaya, A. [A.L.M.T. Corp., Toyama 931-8543 (Japan)

    2013-11-15

    Steady state (1973 K, 180 s) and repeated (723 K–1524 K, 380 times) heat loading experiments of ITER grade W and toughened, fine-grained, recrystallized W–1.1TiC (TFGR W–1.1TiC) have been performed using an electron beam irradiation system. In ITER grade W, the irradiation around 1973 K causes recrystallization and grain growth up to the average diameters of 50–100 μm. Repeated irradiations cause significant surface roughening, cracking at grain boundaries and surface exfoliation. On the other hand, TFGR W–1.1TiC does not exhibit any surface roughening or cracking after repeated heat loading although grain boundaries on the surface of TFGR W–1.1TiC can be observed after irradiation at around 1973 K 180 s by steady state heat loading.

  5. Viiteline norm ja koosseisuteo ebaseaduslikkus. Riigikohtu kriminaalkolleegiumi otsus 3-1-1-106-13 / Jaan Sootak

    Index Scriptorium Estoniae

    Sootak, Jaan, 1948-

    2014-01-01

    Riigikohtu otsusest 3-1-1-106-13: viitelise normi olemusest, tunnuse „ebaseaduslik“ eri tähendustest süüteokoosseisus, koosseisu ja õigusvastasuse tasandi eristamisest ning negatiivsete koosseisutunnuste ja avatud koosseisu teooriast

  6. Effect of temperature on the structural, linear, and nonlinear optical properties of MgO-doped graphene oxide nanocomposites

    Science.gov (United States)

    Kimiagar, Salimeh; Abrinaei, Fahimeh

    2018-01-01

    Magnesium oxide (MgO)-graphene oxide (GO) nanocomposites were prepared by the hydrothermal method at different temperatures. The effect of growth temperature on the structural, linear, and nonlinear optical (NLO) parameters was investigated. The decoration of MgO on GO sheets was confirmed by X-ray diffraction, scanning electron microscopy, Fourier transform infrared, and UV-visible (UV-vis) spectroscopy analyses. The energy band-gaps of MgO-GO nanocomposites were calculated from UV-vis spectrum using Tauc plot. The NLO parameters of MgO-GO nanocomposites were calculated for the first time by the simple Z-scan technique with nanosecond Nd:YAG laser at 532 nm. The nonlinear absorption coefficient β and nonlinear refractive index n2 for MgO-GO nanocomposites at the laser intensity of 1.1×108 W/cm2 were measured to be in the order of 10-7 cm/W and 10-12 cm2/W, respectively. The third-order NLO susceptibility of MgO-GO nanocomposites was measured in the order of 10-9 esu. The results showed that MgO-GO structures have negative nonlinearity as well as good nonlinear two-photon absorption at 532 nm. Furthermore, the NLO parameters increased by the enhancement of the growth temperature. As the investigation of new materials plays an important role in the advancement of optoelectronics, MgO-GO nanocomposites possess potential applications in NLO devices.

  7. The SU(1, 1) Perelomov number coherent states and the non-degenerate parametric amplifier

    Energy Technology Data Exchange (ETDEWEB)

    Ojeda-Guillén, D., E-mail: dojedag@ipn.mx; Granados, V. D. [Escuela Superior de Física y Matemáticas, Instituto Politécnico Nacional, Ed. 9, Unidad Profesional Adolfo López Mateos, C.P. 07738 México D. F. (Mexico); Mota, R. D. [Escuela Superior de Ingeniería Mecánica y Eléctrica, Unidad Culhuacán, Instituto Politécnico Nacional, Av. Santa Ana No. 1000, Col. San Francisco Culhuacán, Delegación Coyoacán, C.P. 04430, México D. F. (Mexico)

    2014-04-15

    We construct the Perelomov number coherent states for an arbitrary su(1, 1) group operation and study some of their properties. We introduce three operators which act on Perelomov number coherent states and close the su(1, 1) Lie algebra. By using the tilting transformation we apply our results to obtain the energy spectrum and eigenfunctions of the non-degenerate parametric amplifier. We show that these eigenfunctions are the Perelomov number coherent states of the two-dimensional harmonic oscillator.

  8. Calmodulin and calcium differentially regulate the neuronal Nav1.1 voltage-dependent sodium channel

    Energy Technology Data Exchange (ETDEWEB)

    Gaudioso, Christelle; Carlier, Edmond; Youssouf, Fahamoe [INSERM U641, Institut Jean Roche, Marseille F-13344 (France); Universite de la Mediterranee, Faculte de Medecine Secteur Nord, IFR 11, Marseille F-13344 (France); Clare, Jeffrey J. [Eaton Pharma Consulting, Eaton Socon, Cambridgeshire PE19 8EF (United Kingdom); Debanne, Dominique [INSERM U641, Institut Jean Roche, Marseille F-13344 (France); Universite de la Mediterranee, Faculte de Medecine Secteur Nord, IFR 11, Marseille F-13344 (France); Alcaraz, Gisele, E-mail: gisele.alcaraz@univmed.fr [INSERM U641, Institut Jean Roche, Marseille F-13344 (France); Universite de la Mediterranee, Faculte de Medecine Secteur Nord, IFR 11, Marseille F-13344 (France)

    2011-07-29

    Highlights: {yields} Both Ca{sup ++}-Calmodulin (CaM) and Ca{sup ++}-free CaM bind to the C-terminal region of Nav1.1. {yields} Ca{sup ++} and CaM have both opposite and convergent effects on I{sub Nav1.1}. {yields} Ca{sup ++}-CaM modulates I{sub Nav1.1} amplitude. {yields} CaM hyperpolarizes the voltage-dependence of activation, and increases the inactivation rate. {yields} Ca{sup ++} alone antagonizes CaM for both effects, and depolarizes the voltage-dependence of inactivation. -- Abstract: Mutations in the neuronal Nav1.1 voltage-gated sodium channel are responsible for mild to severe epileptic syndromes. The ubiquitous calcium sensor calmodulin (CaM) bound to rat brain Nav1.1 and to the human Nav1.1 channel expressed by a stably transfected HEK-293 cell line. The C-terminal region of the channel, as a fusion protein or in the yeast two-hybrid system, interacted with CaM via a consensus C-terminal motif, the IQ domain. Patch clamp experiments on HEK1.1 cells showed that CaM overexpression increased peak current in a calcium-dependent way. CaM had no effect on the voltage-dependence of fast inactivation, and accelerated the inactivation kinetics. Elevating Ca{sup ++} depolarized the voltage-dependence of fast inactivation and slowed down the fast inactivation kinetics, and for high concentrations this effect competed with the acceleration induced by CaM alone. Similarly, the depolarizing action of calcium antagonized the hyperpolarizing shift of the voltage-dependence of activation due to CaM overexpression. Fluorescence spectroscopy measurements suggested that Ca{sup ++} could bind the Nav1.1 C-terminal region with micromolar affinity.

  9. Standing, Periodic and Solitary Waves in (1 + 1)-Dimensional Caudry-Dodd-Gibbon-Sawada-Kortera System

    International Nuclear Information System (INIS)

    Zheng Chunlong; Qiang Jiye; Wang Shaohua

    2010-01-01

    In the paper, the variable separation approach, homoclinic test technique and bilinear method are successfully extended to a (1 + 1)-dimensional Caudry-Dodd-Gibbon-Sawada-Kortera (CDGSK) system, respectively. Based on the derived exact solutions, some significant types of localized excitations such as standing waves, periodic waves, solitary waves are simultaneously derived from the (1 + 1)-dimensional Caudry-Dodd-Gibbon-Sawada-Kortera system by entrancing appropriate parameters. (general)

  10. Isolation and drought-tolerant function analysis of ZmPti1-1, a ...

    African Journals Online (AJOL)

    Pto-interacting 1(Pti1) has been well established to play important roles in plant disease and salt response, but its potential roles in the response to drought stress is unknown. In this study, the Pti1- like gene named as ZmPti1-1 was cloned from maize, sequence analysis showed that ZmPti1-1 encodes a polypeptide of 363 ...

  11. Study of hypercharge exchange processes 0-1/2+→1- 1/2+

    International Nuclear Information System (INIS)

    Albajar Molera, M. c.; Aguilar Beniter de Lugo, M.

    1981-01-01

    In this work we present a formalism for the reconstruction of the transitivity amplitudes governing the processes of the type 0-1/2+→1-1/2+. The formalism uses the information contained in the decay angular correlations and takes into account the existence of mixed spin configurations in the final state 0-1/2+→(0↓, 1-)1/2+ (Author) 10 refs

  12. Mg-Ca Alloys Produced by Reduction of CaO: Understanding of ECO-Mg Alloy Production

    Science.gov (United States)

    Jung, In-Ho; Lee, Jin Kyu; Kim, Shae K.

    2017-04-01

    There have been long debates about the environment conscious (ECO) Mg technology which utilizes CaO to produce Ca-containing Mg alloys. Two key process technologies of the ECO-Mg process are the chemical reduction of CaO by liquid Mg and the maintenance of melt cleanliness during the alloying of Ca. Thermodynamic calculations using FactSage software were performed to explain these two key issues. In addition, an experimental study was performed to compare the melt cleanliness of the Ca-containing Mg alloys produced by the conventional route with metallic Ca and the ECO-Mg route with CaO.

  13. LOW Mg/Si PLANETARY HOST STARS AND THEIR Mg-DEPLETED TERRESTRIAL PLANETS

    Energy Technology Data Exchange (ETDEWEB)

    Carter-Bond, Jade C.; O' Brien, David P. [Planetary Science Institute, 1700 E. Fort Lowell, Tucson, AZ 85719 (United States); Delgado Mena, Elisa; Israelian, Garik; Gonzalez Hernandez, Jonay I. [Instituto de Astrofisica de Canarias, 38200 La Laguna, Tenerife (Spain); Santos, Nuno C., E-mail: j.bond@unsw.edu.au [Centro de Astrofisica, Universidade do Porto, Rua das Estrelas, 4150-762 Porto (Portugal)

    2012-03-15

    Simulations have shown that a diverse range of extrasolar terrestrial planet bulk compositions are likely to exist based on the observed variations in host star elemental abundances. Based on recent studies, it is expected that a significant proportion of host stars may have Mg/Si ratios below 1. Here we examine this previously neglected group of systems. Planets simulated as forming within these systems are found to be Mg-depleted (compared to Earth), consisting of silicate species such as pyroxene and various feldspars. Planetary carbon abundances also vary in accordance with the host star C/O ratio. The predicted abundances are in keeping with observations of polluted white dwarfs, lending validity to this approach. Further studies are required to determine the full planetary impacts of the bulk compositions predicted here.

  14. Thermodynamic properties of Mg2Si and Mg2Ge investigated by first principles method

    International Nuclear Information System (INIS)

    Wang, Hanfu; Jin, Hao; Chu, Weiguo; Guo, Yanjun

    2010-01-01

    The lattice dynamics and thermodynamic properties of Mg 2 Si and Mg 2 Ge are studied based on the first principles calculations. We obtain the phonon dispersion curves and phonon density of states spectra using the density functional perturbation theory with local density approximations. By employing the quasi-harmonic approximation, we calculate the temperature dependent Helmholtz free energy, bulk modulus, thermal expansion coefficient, specific heat, Debye temperature and overall Grueneisen coefficient. The results are in good agreement with available experimental data and previous theoretical studies. The thermal conductivities of both compounds are then estimated with the Slack's equation. By carefully choosing input parameters, especially the acoustic Debye temperature, we find that the calculated thermal conductivities agree fairly well with the experimental values above 80 K for both compounds. This demonstrates that the lattice thermal conductivity of simple cubic semiconductors may be estimated with satisfactory accuracy by combining the Slack's equation with the necessary thermodynamics parameters derived completely from the first principles calculations.

  15. Relativistic quasiparticle band structures of Mg2Si, Mg2Ge, and Mg2Sn: Consistent parameterization and prediction of Seebeck coefficients

    Science.gov (United States)

    Shi, Guangsha; Kioupakis, Emmanouil

    2018-02-01

    We apply density functional and many-body perturbation theory calculations to consistently determine and parameterize the relativistic quasiparticle band structures of Mg2Si, Mg2Ge, and Mg2Sn, and predict the Seebeck coefficient as a function of doping and temperature. The quasiparticle band gaps, including spin-orbit coupling effects, are determined to be 0.728 eV, 0.555 eV, and 0.142 eV for Mg2Si, Mg2Ge, and Mg2Sn, respectively. The inclusion of the semicore electrons of Mg, Ge, and Sn in the valence is found to be important for the accurate determination of the band gaps of Mg2Ge and Mg2Sn. We also developed a Luttinger-Kohn Hamiltonian and determined a set of band parameters to model the near-edge relativistic quasiparticle band structure consistently for all three compounds that can be applied for thermoelectric device simulations. Our calculated values for the Seebeck coefficient of all three compounds are in good agreement with the available experimental data for a broad range of temperatures and carrier concentrations. Our results indicate that quasiparticle corrections are necessary for the accurate determination of Seebeck coefficients at high temperatures at which bipolar transport becomes important.

  16. Calculated trends and the atmospheric abundance of 1,1,1,2-tetrafluoroethane, 1,1-dichloro-1-fluoroethane, and 1-chloro-1,1-difluoroethane using automated in-situ gas chromatography-mass spectrometry measurements recorded at Mace Head, Ireland, from October 1994 to March 1997

    Science.gov (United States)

    Simmonds, P. G.; O'Doherty, S.; Huang, J.; Prinn, R.; Derwent, R. G.; Ryall, D.; Nickless, G.; Cunnold, D.

    1998-01-01

    The first in-situ measurements by automated gas chromatograph-mass spectrometer are reported for 1,1,1,2-tetrafluoroethane (HFC-134a), 1,1-dichloro-1-fluoroethane, (HCFC-141b), and 1-chloro-1,1-difluoroethane, (HCFC-142b). These compounds are steadily replacing the chlorofluorocarbons (CFCs) as refrigerants, foam-blowing agents, and solvents. The concentrations of all three compounds are shown to be rapidly increasing in the atmosphere, with 134a increasing at a rate of 2.05±0.02 ppt yr-1 over the 30 months of observations. Similarly, 141b and 142b increased at rates of 2.49±0.03 and 1.24±0.02 ppt yr-1, respectively, over the same period. The concentrations recorded at the atmospheric research station at Mace Head, Ireland, on January 1, 1996, the midpoint of the time series, were 3.67 ppt (134a), 7.38 ppt (141b), and 8.78 ppt (142b). From these observations we optimally estimate the HCFC and HFC emissions using a 12-box global model and OH concentrations derived from global 1,1,1-trichloroethane (CCl3CH3) measurements. Comparing two methods of estimating emissions with independent industry estimates shows satisfactory agreement for 134a and 141b, while for 142b, industry estimates are less than half those required to explain our observations.

  17. Characterization of Makrofol ® DE 1-1 for alpha particle radiography

    Science.gov (United States)

    El Ghazaly, M.; Aydarous, Abdulkadir; Al-Thomali, Talal A.

    2017-09-01

    Makrofol ® DE 1-1 (bisphenol-A polycarbonate) was investigated for alpha particle radiography. The edge spread function (ESF) was measured by razor-blade's edge. Makrofol ® DE 1-1 detectors were irradiated with perpendicular incident alpha particles of energy 2.5, 4 and 5.4 MeV, thereafter they were etched in 75% 6N KOH+25% C2H5OH at a temperature of 50 °C for different durations. The etched Makrofol®DE 1-1 detectors were imaged with an optical microscope equipped with a CCD camera. The results revealed that the green channel of the original RGB image provides the highest contrast comparing with red and blue channel by a factor of 27.6% of the original RGB image. The image contrast of alpha particle-irradiated Makrofol®DE 1-1 detector was found to be inversely related to the etching time since the alpha particle tracks proceed from a conical phase to spherical phase. The spatial resolution of alpha particle-irradiated Makrofol®DE 1-1 detector, in terms of line spread function, was found to deteriorate as the etching time increases for all examined alpha particle energies. The results revealed the potential capability of Makrofol®DE 1-1 detector as an efficient detector for alpha particle radiography such as autoradiography.

  18. NK1.1+ cells promote sustained tissue injury and inflammation after trauma with hemorrhagic shock.

    Science.gov (United States)

    Chen, Shuhua; Hoffman, Rosemary A; Scott, Melanie; Manson, Joanna; Loughran, Patricia; Ramadan, Mostafa; Demetris, Anthony J; Billiar, Timothy R

    2017-07-01

    Various cell populations expressing NK1.1 contribute to innate host defense and systemic inflammatory responses, but their role in hemorrhagic shock and trauma remains uncertain. NK1.1 + cells were depleted by i.p. administration of anti-NK1.1 (or isotype control) on two consecutive days, followed by hemorrhagic shock with resuscitation and peripheral tissue trauma (HS/T). The plasma levels of IL-6, MCP-1, alanine transaminase (ALT), and aspartate aminotransferase (AST) were measured at 6 and 24 h. Histology in liver and gut were examined at 6 and 24 h. The number of NK cells, NKT cells, neutrophils, and macrophages in liver, as well as intracellular staining for TNF-α, IFN-γ, and MCP-1 in liver cell populations were determined by flow cytometry. Control mice subjected to HS/T exhibited end organ damage manifested by marked increases in circulating ALT, AST, and MCP-1 levels, as well as histologic evidence of hepatic necrosis and gut injury. Although NK1.1 + cell-depleted mice exhibited a similar degree of organ damage as nondepleted animals at 6 h, NK1.1 + cell depletion resulted in marked suppression of both liver and gut injury by 24 h after HS/T. These findings indicate that NK1.1 + cells contribute to the persistence of inflammation leading to end organ damage in the liver and gut. © Society for Leukocyte Biology.

  19. Decomposition of supersaturated solid solutions Mg-Ho and Mg-Gd

    International Nuclear Information System (INIS)

    Sukhanov, V.D.; Dobromyslov, A.V.; Rokhlin, L.L.; Dobatkina, T.V.

    2002-01-01

    Methods of electron microscopy and X-ray diffraction analysis are applied to study ageing magnesium base alloys with holmium and gadolinium. It is shown that the precipitation of supersaturated Mg base solid solutions goes through several subsequent stages and is accompanied by a considerable precipitation hardening effect at the stage of metastable phase precipitation. The influence of aging time and temperature on precipitation kinetics is established [ru

  20. Preconception serum 1,1,1-trichloro-2,2,bis(p-chlorophenyl)ethane and B-vitamin status: independent and joint effects on women's reproductive outcomes.

    Science.gov (United States)

    Ouyang, Fengxiu; Longnecker, Matthew P; Venners, Scott A; Johnson, Sara; Korrick, Susan; Zhang, Jun; Xu, Xiping; Christian, Parul; Wang, Mei-Cheng; Wang, Xiaobin

    2014-12-01

    Although preconception 1,1,1-trichloro-2,2,bis(p-chlorophenyl)ethane (DDT) exposure and B-vitamin deficiencies have each been shown to negatively affect human reproductive outcomes, little is known about their joint effect. We sought to examine whether B-vitamin sufficiency protects against adverse effects of DDT on clinical pregnancy (CP) and subclinical early pregnancy loss (EPL). We measured preconception concentrations of plasma B vitamins (vitamin B-6, vitamin B-12, and folate) and serum total DDT [sum of p,p' and o,p' isomers of DDT and 1,1-dichloro-2,2-bis(p-chlorophenyl)ethylene] in 291 nulligravid women from Anhui, China, who were studied in 1996-1998. The women were followed prospectively from the time they stopped contraception until CP (gestational age ≥42 d) or 12 mo (whichever occurred first). EPL was identified by using daily urinary human chorionic gonadotropin. The women were categorized according to B-vitamin status (deficiency compared with sufficiency) and DDT concentration (high compared with low). Of 291 study women, a total of 385 conceptions (31% of which ended in EPL) and 265 CPs occurred. Compared with women with adequate B-vitamins and low DDT, incidence rates of CP were reduced in women with B-vitamin deficiency and a high DDT concentration (P vitamin B-12, DDT was not associated with the incidence of CP; in contrast, in women with vitamin B-12 deficiency, high DDT was associated with a lower incidence of CP (HR: 0.44; 95% CI: 0.23, 0.84); and the test for interaction was significant (P vitamin B-12 and folate sufficiency may help protect against adverse reproductive effects of DDT exposure. Additional studies are needed to confirm our findings. © 2014 American Society for Nutrition.

  1. Simulation of precipitation and strengthening in MG-RE alloys

    OpenAIRE

    Liu, Hong

    2017-01-01

    Magnesium - rare earth (Mg-RE) alloys have received considerable attention in the past decades for wider applications in the aerospace industry due to their relatively high strength and excellent creep resistance. Most rare-earth containing magnesium alloys, such as Mg-Y, Mg-Gd, and Mg-Y-Nd, are precipitation hardenable. A technical barrier to the wider applications of such alloys is the lack of a sufficiently large age hardening response. To further improve this response, an improved underst...

  2. Combinatorial search for hydrogen storage alloys: Mg-Ni and Mg-Ni-Ti

    Energy Technology Data Exchange (ETDEWEB)

    Oelmez, Rabia; Cakmak, Guelhan; Oeztuerk, Tayfur [Dept. of Metallurgical and Materials Engineering, Middle East Technical University, 06531 Ankara (Turkey)

    2010-11-15

    A combinatorial study was carried out for hydrogen storage alloys involving processes similar to those normally used in their fabrication. The study utilized a single sample of combined elemental (or compound) powders which were milled and consolidated into a bulk form and subsequently deformed to heavy strains. The mixture was then subjected to a post annealing treatment, which brings about solid state reactions between the powders, yielding equilibrium phases in the respective alloy system. A sample, comprising the equilibrium phases, was then pulverized and screened for hydrogen storage compositions. X-ray diffraction was used as a screening tool, the sample having been examined both in the as processed and the hydrogenated state. The method was successfully applied to Mg-Ni and Mg-Ni-Ti yielding the well known Mg{sub 2}Ni as the storage composition. It is concluded that a partitioning of the alloy system into regions of similar solidus temperature would be required to encompass the full spectrum of equilibrium phases. (author)

  3. Energy level alignment at the Si(1 1 1)/RCA–SiO2/copper(II) phthalocyanine ultra-thin film interface

    International Nuclear Information System (INIS)

    Krzywiecki, Maciej; Grządziel, Lucyna

    2014-01-01

    Graphical abstract: - Highlights: • The interface formation studies between CuPc and Si by photoemission methods. • Charge rearrangement detected at the inorganic/organic interface. • Existence of disordered/polarization layer at the initial stages of CuPc deposition. • Examined structures applicable for organic transistors development. - Abstract: The photoemission experimental techniques (i.e. ultraviolet photoelectron spectroscopy—UPS and X-ray photoelectron spectroscopy—XPS) were used to investigate the charge–rearrangement–related phenomena occuring at organic–inorganic semiconductor interface. Examined samples were copper phthalocyanine (CuPc) ultra-thin (up to 16 nm) layers deposited onto oxidized silicon Si(1 1 1) of n- and p-type of conductivity. The 1.3-nm-thick silicon oxide was prepared by means of RCA wet cleaning procedure. The analysis of the photoemission data (mainly UPS) suggested the existance of the polarization layer within first 3 nm of CuPc layer thickness. Basing on the UPS and XPS results the energy level diagrams of examined structures have been constructed. In present paper it is suggested that the existance of the polarization layer could be assigned to the disordered adsorption and continous molecular reorientation of the CuPc molecules during the interface formation process. In the terms of the lack of the charge transfer via substrate/organic overlayer interface and disordered adsorption the fluctuations of CuPc electronic parameters were detected. Moreover the ionization energy and the work function parameters of final CuPc layer were affected. The values were more consistent with those obtained for much thicker (over 500 nm) CuPc layers. Performed studies showed that contrary to CuPc layers deposited on native substrates (where the charge transfer via tunnelable oxide – determined as dipole effect – has been detected), the thicker RCA-prepared oxide seems to be non-tunnelable hence the possibility for Si(1 1 1

  4. Photoaffinity labelling of the active site of the rat glutathione transferases 3-3 and 1-1 and human glutathione transferase A1-1.

    OpenAIRE

    Cooke, R J; Björnestedt, R; Douglas, K T; McKie, J H; King, M D; Coles, B; Ketterer, B; Mannervik, B

    1994-01-01

    The glutathione transferases (GSTs) form a group of enzymes responsible for a wide range of molecular detoxications. The photoaffinity label S-(2-nitro-4-azidophenyl)glutathione was used to study the hydrophobic region of the active site of the rat liver GST 1-1 and 2-2 isoenzymes (class Alpha) as well as the rat class-Mu GST 3-3. Photoaffinity labelling was carried out using a version of S-(2-nitro-4-azidophenyl)glutathione tritiated in the arylazido ring. The labelling occurred with higher ...

  5. Mg-lattice associations in red coralline algae

    Science.gov (United States)

    Kamenos, N. A.; Cusack, M.; Huthwelker, T.; Lagarde, P.; Scheibling, R. E.

    2009-04-01

    Recent investigations have shown red coralline algae to record ambient temperature in their calcite skeletons. Temperature recorded by variation in Mg concentrations within algal growth bands has sub-annual resolution and high accuracy. The conversion of Mg concentration to temperature is based on the assumption of Ca replacement by Mg within the algal calcite skeleton at higher temperatures. While Mg-temperature relationships in coralline algae have been calibrated for some species, the location of Mg within the calcite lattice remains unknown. Critically, if Mg is not a lattice component but associated with organic components this could lead to erroneous temperature records. Before coralline algae are used in large scale climate reconstructions it is therefore important to determine the location of Mg. Synchrotron Mg-X-ray absorbance near edge structure (XANES) indicates that Mg is associated with the calcite lattice in Lithothamnion glaciale (contemporary free-living, contemporary encrusting and sub-fossil free-living) and Phymatolithon calcareum (contemporary free-living) coralline algae. Mg is deposited within the calcite lattice in all seasons ( L. glaciale & P. calcareum) and thallus areas ( P. calcareum). These results suggest L. glaciale and P. calcareum are robust Mg-palaeotemperature proxies. We suggest that similar confirmation be obtained for Mg associations in other species of red coralline algae aiding our understanding of their role in climate reconstruction at large spatial scales.

  6. FLAT TIME-LIKE SUBMANIFOLDS IN ANTI-DE SITTER SPACE H12n-1(-1)

    Institute of Scientific and Technical Information of China (English)

    ZUO DAFENG; CHEN QING; CHENG YI

    2005-01-01

    By using dressing actions of the Gn-1 1,1,n-1-system, the authors study geometric transformations for flat time-like n-submanifolds with flat, non-degenerate normal bun dle in anti-de Sitter space H1 2n-1(-1), where G1,1 n-1,n-1= O(2n - 2, 2)/O(n - 1, 1) ×O(n - 1, 1).

  7. Synthesis of Ethane-1-Hydroxy-1,1-diphosphonic acid (EHDP) and preparation of labeled kits by 99mTc for bone studies

    International Nuclear Information System (INIS)

    Yassin, T.; Assaad, T.; Ghanem, E.; Ajaia, R.; Karajoli, N.

    2013-08-01

    Ethane-1-Hydroxy-1,1-diphosphonic acid monohydrate (EHDP) is very important precursor in radiopharmaceutical applications for bone diagnosis after labeling with 99mTc, was synthesized in high yield and purity. The compound was characterized by spectroscopic method. EHDP kit for bone imaging after labeling with technetium 99m was prepared according to an optimum conditions, Each vial contains 15 mg of EHDP and 25 mg of stannous chloride SnCl2. The prepared kit showed high quality satisfying the requirements of international pharmacopeias from of physical, chemical and radiochemical properties. The labeling yield exceeded 95% with an average value 99.6%. Biodistribution study of 99mTc-EHDP showed better clearance after three hours of injection in comparison with 99mTc-MDP kit (author).

  8. An in-situ X-ray diffraction study on the electrochemical formation of PtZn alloys on Pt(1 1 1) single crystal electrode

    Energy Technology Data Exchange (ETDEWEB)

    Drnec, J., E-mail: drnec@esrf.fr [ESRF, Grenoble (France); Bizzotto, D. [Department of Chemistry, AMPEL, University of British Columbia, Vancouver, BC (Canada); Carlà, F. [ESRF, Grenoble (France); Fiala, R. [Charles University, Faculty of Mathematics and Physics, Prague (Czech Republic); Sode, A. [Ruhr-Universität Bochum, Bochum (Germany); Balmes, O.; Detlefs, B.; Dufrane, T. [ESRF, Grenoble (France); Felici, R., E-mail: felici@esrf.fr [ESRF, Grenoble (France)

    2015-11-01

    Highlights: • PtZn electrochemical alloying is observed on single crystal Pt electrodes. • In-situ X-ray characterization during alloy formation and dissolution is provided. • Structural model of the surface during alloying and dissolution is discussed. • X-ray based techniques can be used in in-operando studies of bimetallic fuel cell catalysts. - Abstract: The electrochemical formation and dissolution of the oxygen reduction reaction (ORR) PtZn catalyst on Pt(1 1 1) surface is followed by in-situ X-ray diffraction (XRD) and X-ray reflectivity (XRR) measurements. When the crystalline Pt surface is polarized to sufficiently negative potential values, with respect to an Ag/AgCl|KCl reference electrode, the electrodeposited zinc atoms diffuse into the bulk and characteristic features are observed in the X-ray patterns. The surface structure and composition during deposition and dissolution is determined from analysis of XRR curves and measurements of crystal truncation rods. Thin Zn-rich surface layer is present during the alloy formation while a Zn-depleted layer forms during dissolution.

  9. Water co-adsorption and electric field effects on borohydride structures on Os(1 1 1) by first-principles calculations

    Energy Technology Data Exchange (ETDEWEB)

    Escaño, Mary Clare Sison, E-mail: mcescano@u-fukui.ac.jp [Graduate School of Engineering, University of Fukui, 3-9-1 Bunkyo, Fukui 910-8507 (Japan); Arevalo, Ryan Lacdao [Department of Precision Science and Technology and Applied Physics, Osaka University, 2-1 Yamadaoka, Suita, Osaka 565-0871 (Japan); Gyenge, Elod [Department of Chemical and Biological Engineering, The University of British Columbia, Vancouver, BC, Canada V6T 1Z3 (Canada); Kasai, Hideaki [Department of Precision Science and Technology and Applied Physics, Osaka University, 2-1 Yamadaoka, Suita, Osaka 565-0871 (Japan)

    2013-12-15

    Highlights: ► Difference in Pt, Os electronic structures lead to different borohydride structures. ► Promotion of B–H bond breaking on Os due to water effects. ► Control of borohydride structure on Os catalyst using electric field. -- Abstract: Periodic density functional theory calculations are performed to investigate the nature of the BH{sub 4ad} and its interaction with H{sub 2}O{sub ad} in the presence of homogenous electric field. We observed a significant charge polarity of BH{sub 4ad} on Os(1 1 1) and such property could explain the electrostatic interaction with water monomer (H{sub ad}) with its HOH plane parallel to the surface. This interaction changes the BH{sub ad} molecular structure to BH{sub 3ad} + H{sub ad}. In the presence of homogenous electric field, the water co-adsorption effect is reduced due to the stabilization of H{sub 2}O{sub ad} on the surface and the deviation of the O–H bond from the plane, decreasing the electrostatic interaction between BH{sub 4ad} and H{sub 2}O{sub ad}. These fundamental findings imply accessible control of borohydride structures on an electrode surface, which could be relevant for direct borohydride fuel cell (DBFC) and reversible hydrogen storage/release applications.

  10. Water co-adsorption and electric field effects on borohydride structures on Os(1 1 1) by first-principles calculations

    International Nuclear Information System (INIS)

    Escaño, Mary Clare Sison; Arevalo, Ryan Lacdao; Gyenge, Elod; Kasai, Hideaki

    2013-01-01

    Highlights: ► Difference in Pt, Os electronic structures lead to different borohydride structures. ► Promotion of B–H bond breaking on Os due to water effects. ► Control of borohydride structure on Os catalyst using electric field. -- Abstract: Periodic density functional theory calculations are performed to investigate the nature of the BH 4ad and its interaction with H 2 O ad in the presence of homogenous electric field. We observed a significant charge polarity of BH 4ad on Os(1 1 1) and such property could explain the electrostatic interaction with water monomer (H ad ) with its HOH plane parallel to the surface. This interaction changes the BH ad molecular structure to BH 3ad + H ad . In the presence of homogenous electric field, the water co-adsorption effect is reduced due to the stabilization of H 2 O ad on the surface and the deviation of the O–H bond from the plane, decreasing the electrostatic interaction between BH 4ad and H 2 O ad . These fundamental findings imply accessible control of borohydride structures on an electrode surface, which could be relevant for direct borohydride fuel cell (DBFC) and reversible hydrogen storage/release applications

  11. A 3D dislocation dynamics analysis of the size effect on the strength of [1 1 1] LiF micropillars at 300K and 600K

    International Nuclear Information System (INIS)

    Chang, Hyung-Jun; Segurado, Javier; Molina-Aldareguía, Jon M; Soler, Rafael

    2016-01-01

    The mechanical behavior in compression of [1 1 1] LiF micropillars with diameters in the range 0.5 μm to 2.0 μm was analyzed by means of discrete dislocation dynamics at ambient and elevated temperature. The dislocation velocity was obtained from the Peach–Koehler force acting on the dislocation segments from a thermally-activated model that accounted for the influence of temperature on the lattice resistance. A size effect of the type ‘smaller is stronger’ was predicted by the simulations, which was in quantitative agreement with previous experimental results by the authors [1]. The contribution of the different physical deformation mechanisms to the size effect (namely, nucleation of dislocations, dislocation exhaustion and forest hardening) could be ascertained from the simulations and the dominant deformation mode could be assessed as a function of the specimen size and temperature. These results shed light into the complex interaction among size, lattice resistance and dislocation mobility in the mechanical behavior of μm-sized single crystals. (paper)

  12. Composition, morphology and surface recombination rate of HCl-isopropanol treated and vacuum annealed InAs(1 1 1)A surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Kesler, V.G., E-mail: kesler@isp.nsc.ru [Institute of Semiconductor Physics SB RAS, Lavrentiev av., 13, Novosibirsk 630090 (Russian Federation); Seleznev, V.A.; Kovchavtsev, A.P.; Guzev, A.A. [Institute of Semiconductor Physics SB RAS, Lavrentiev av., 13, Novosibirsk 630090 (Russian Federation)

    2010-05-01

    X-ray photoelectron spectroscopy and atomic force microscopy were used to examine the chemical composition and surface morphology of InAs(1 1 1)A surface chemically etched in isopropanol-hydrochloric acid solution (HCl-iPA) and subsequently annealed in vacuum in the temperature range 200-500 deg. C. Etching for 2-30 min resulted in the formation of 'pits' and 'hillocks' on the sample surface, respectively 1-2 nm deep and high, with lateral dimensions 50-100 nm. The observed local formations, whose density was up to 3 x 10{sup 8} cm{sup -2}, entirely vanished from the surface after the samples were vacuum-annealed at temperatures above 300 deg. C. Using a direct method, electron beam microanalysis, we have determined that the defects of the hillock type includes oxygen and excessive As, while the 'pits' proved to be identical in their chemical composition to InAs. Vacuum anneals were found to cause a decrease in As surface concentration relative to In on InAs surface, with a concomitant rise of surface recombination rate.

  13. Composition, morphology and surface recombination rate of HCl-isopropanol treated and vacuum annealed InAs(1 1 1)A surfaces

    Science.gov (United States)

    Kesler, V. G.; Seleznev, V. A.; Kovchavtsev, A. P.; Guzev, A. A.

    2010-05-01

    X-ray photoelectron spectroscopy and atomic force microscopy were used to examine the chemical composition and surface morphology of InAs(1 1 1)A surface chemically etched in isopropanol-hydrochloric acid solution (HCl-iPA) and subsequently annealed in vacuum in the temperature range 200-500 °C. Etching for 2-30 min resulted in the formation of "pits" and "hillocks" on the sample surface, respectively 1-2 nm deep and high, with lateral dimensions 50-100 nm. The observed local formations, whose density was up to 3 × 10 8 cm -2, entirely vanished from the surface after the samples were vacuum-annealed at temperatures above 300 °C. Using a direct method, electron beam microanalysis, we have determined that the defects of the hillock type includes oxygen and excessive As, while the "pits" proved to be identical in their chemical composition to InAs. Vacuum anneals were found to cause a decrease in As surface concentration relative to In on InAs surface, with a concomitant rise of surface recombination rate.

  14. Composition, morphology and surface recombination rate of HCl-isopropanol treated and vacuum annealed InAs(1 1 1)A surfaces

    International Nuclear Information System (INIS)

    Kesler, V.G.; Seleznev, V.A.; Kovchavtsev, A.P.; Guzev, A.A.

    2010-01-01

    X-ray photoelectron spectroscopy and atomic force microscopy were used to examine the chemical composition and surface morphology of InAs(1 1 1)A surface chemically etched in isopropanol-hydrochloric acid solution (HCl-iPA) and subsequently annealed in vacuum in the temperature range 200-500 deg. C. Etching for 2-30 min resulted in the formation of 'pits' and 'hillocks' on the sample surface, respectively 1-2 nm deep and high, with lateral dimensions 50-100 nm. The observed local formations, whose density was up to 3 x 10 8 cm -2 , entirely vanished from the surface after the samples were vacuum-annealed at temperatures above 300 deg. C. Using a direct method, electron beam microanalysis, we have determined that the defects of the hillock type includes oxygen and excessive As, while the 'pits' proved to be identical in their chemical composition to InAs. Vacuum anneals were found to cause a decrease in As surface concentration relative to In on InAs surface, with a concomitant rise of surface recombination rate.

  15. Relaxation of a strained 3C-SiC(1 1 1) thin film on silicon by He+ and O+ ion beam defect engineering

    International Nuclear Information System (INIS)

    Häberlen, M.; Murphy, B.; Stritzker, B.; Lindner, J.K.N.

    2012-01-01

    In this paper we report on the successful reduction of tensile strain in a thin strained ion-beam synthesized 3C-SiC(1 1 1) layer on silicon. The creation of a near-interface defect structure consisting of nanometric voids and stacking fault type defects by He ion implantation and subsequent annealing yields significant relaxation in the top SiC film. The microstructure of the defect layer is studied by transmission electron microscopy, and the strain state of the 3C-SiC layer was studied by high-resolution X-ray diffraction in a parallel beam configuration. Typical process conditions for the growth of GaN films on the SiC layer were emulated by high temperature treatments in a rapid thermal annealer or a quartz tube furnace. It is found that prolonged annealing at high temperatures leads to ripening of the voids and to a weaker reduction of the tensile strain. It is shown that this problem can be overcome by the co-implantation of oxygen ions to form highly thermally stable void/extended defect structures.

  16. Structure of Pigment Yellow 181 dimethylsulfoxide N-methyl-2-pyrrolidone (1:1:1) solvate from XRPD + DFT-D

    International Nuclear Information System (INIS)

    Streek, Jacco van de

    2015-01-01

    The relatively complex structure of a triclinic disolvate was solved from low-resolution laboratory powder diffraction data through the intermediate use of dummy atoms and the combination with quantum-mechanical calculations. With only a 2.6 Å resolution laboratory powder diffraction pattern of the θ phase of Pigment Yellow 181 (P.Y. 181) available, crystal-structure solution and Rietveld refinement proved challenging; especially when the crystal structure was shown to be a triclinic dimethylsulfoxide N-methyl-2-pyrrolidone (1:1:1) solvate. The crystal structure, which in principle has 28 possible degrees of freedom, was determined in three stages by a combination of simulated annealing, partial Rietveld refinement with dummy atoms replacing the solvent molecules and further simulated annealing. The θ phase not being of commercial interest, additional experiments were not economically feasible and additional dispersion-corrected density functional theory (DFT-D) calculations were employed to confirm the correctness of the crystal structure. After the correctness of the structure had been ascertained, the bond lengths and valence angles from the DFT-D minimized crystal structure were fed back into the Rietveld refinement as geometrical restraints (‘polymorph-dependent restraints’) to further improve the details of the crystal str