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Sample records for high-pressure synchrotron studies

  1. High-pressure X-ray diffraction studies on ThS up to 40 GPa using synchrotron radiation

    International Nuclear Information System (INIS)

    Benedict, U.; Spirlet, J.C.; Gerward, L.; Olsen, J.S.

    1983-12-01

    High-pressure X-ray diffraction studies have been performed on ThS up to 40 GPa using synchrotron radiation and a diamond anvil cell. The measured value of the bulk modulus B 0 =145 GPa is in disagreement with a previous measurement. The high-pressure behaviour indicates a phase transformation to ThS II starting at 15 to 20 GPa. The transformation is of second order nature, the resulting structure can be described as distorted fcc. (orig.)

  2. High pressure X-ray diffraction studies on ThS up to 40 GPa using synchrotron radiation

    International Nuclear Information System (INIS)

    Benedict, U.; Spirlet, J.C.; Gerward, L.; Olsen, J.S.

    1984-01-01

    High pressure X-ray diffraction studies (up to 40 GPa) were performed on ThS using synchrotron radiation and a diamond anvil cell. The measured value of 145 GPa for the bulk modulus B 0 disagrees with a previous measurement. The high pressure behaviour indicates a phase transformation to ThS II starting at 15 - 20 GPa. The transformation is of the second-order type, and the resulting structure can be described as distorted f.c.c. (Auth.)

  3. High pressure and synchrotron radiation satellite workshop

    Energy Technology Data Exchange (ETDEWEB)

    Bass, J.; Guignot, N.; Morard, G.; Mezouar, M.; Andrault, D.; Bolfan-Casanova, N.; Sturhahn, W.; Daniel, I.; Reynard, B.; Simionovici, A.; Sanchez Valle, C.; Martinez, I.; Kantor, I.; Dubrovinsky, I.; Mccammon, C.; Dubrovinskaia, N.; Kurnosiv, A.; Kuznetsov, A.; Goncharenko, I.; Loubeyre, P.; Desgreniers, S.; Weck, G.; Yoo, C.S.; Iota, V.; Park, J.; Cynn, H.; Gorelli, F.; Toulemonde, P.; Machon, D.; Merlen, A.; San Miguel, A.; Amboage, M.; Aquilanti, G.; Mathon, O.; Pascarelli, S.; Itie, J.P.; Mcmillan, P.F.; Trapananti, A.; Di Cicco, A.; Panfilis, S. de; Filipponi, A.; Kreisel, J.; Bouvier, P.; Dkhil, B.; Chaabane, B.; Rosner, H.; Koudela, D.; Schwarz, U.; Handestein, A.; Hanfland, M.; Opahle, I.; Koepernik, K.; Kuzmin, M.; Mueller, K.H.; Mydosh, J.; Richter, M.; Hejny, C.; Falconi, S.; Lundegaard, L.F.; Mcmahon, M.I; Loa, I.; Syassen, K.; Wang, X.; Roth, H.; Lorenz, T.; Farber Daniel, I.; Antonangeli Daniele, I.; Krisch, M.; Badro, J.; Fiquet, G.; Occelli, F.; Mao, W.L.; Mao, H.K.; Eng, P.; Kao, C.C.; Shu, J.F.; Hemley, R.J.; Tse, J.S.; Yao, Y.; Deen, P.P.; Paolasini, I.; Braithwaite, D.; Kernavanois, N.; Lapertot, G.; Rupprecht, K.; Leupold, O.; Ponkratz, U.; Wortmann, G.; Beraud, A.; Krisch, M.; Farber, D.; Antonangeli, D.; Aracne, C.; Zarestky, J.L.; Mcqueeney, R.; Mathon, O.; Baudelet, F.; Decremps, F.; Itie, J.P.; Nataf, I.; Pascarelli, S.; Polian, A

    2006-07-01

    The workshop is dedicated to recent advances on science at high pressure at third generation synchrotron sources. A variety of experiments using synchrotron radiation techniques including X-ray diffraction, EXAFS (extended X-ray absorption fine structure), inelastic X-ray scattering, Compton scattering and Moessbauer spectroscopy of crystalline, liquid or amorphous samples, are reported. This document gathers the abstracts of the presentations.

  4. High pressure and synchrotron radiation satellite workshop

    International Nuclear Information System (INIS)

    Bass, J.; Guignot, N.; Morard, G.; Mezouar, M.; Andrault, D.; Bolfan-Casanova, N.; Sturhahn, W.; Daniel, I.; Reynard, B.; Simionovici, A.; Sanchez Valle, C.; Martinez, I.; Kantor, I.; Dubrovinsky, I.; Mccammon, C.; Dubrovinskaia, N.; Kurnosiv, A.; Kuznetsov, A.; Goncharenko, I.; Loubeyre, P.; Desgreniers, S.; Weck, G.; Yoo, C.S.; Iota, V.; Park, J.; Cynn, H.; Gorelli, F.; Toulemonde, P.; Machon, D.; Merlen, A.; San Miguel, A.; Amboage, M.; Aquilanti, G.; Mathon, O.; Pascarelli, S.; Itie, J.P.; Mcmillan, P.F.; Trapananti, A.; Di Cicco, A.; Panfilis, S. de; Filipponi, A.; Kreisel, J.; Bouvier, P.; Dkhil, B.; Chaabane, B.; Rosner, H.; Koudela, D.; Schwarz, U.; Handestein, A.; Hanfland, M.; Opahle, I.; Koepernik, K.; Kuzmin, M.; Mueller, K.H.; Mydosh, J.; Richter, M.; Hejny, C.; Falconi, S.; Lundegaard, L.F.; Mcmahon, M.I; Loa, I.; Syassen, K.; Wang, X.; Roth, H.; Lorenz, T.; Farber Daniel, I.; Antonangeli Daniele, I.; Krisch, M.; Badro, J.; Fiquet, G.; Occelli, F.; Mao, W.L.; Mao, H.K.; Eng, P.; Kao, C.C.; Shu, J.F.; Hemley, R.J.; Tse, J.S.; Yao, Y.; Deen, P.P.; Paolasini, I.; Braithwaite, D.; Kernavanois, N.; Lapertot, G.; Rupprecht, K.; Leupold, O.; Ponkratz, U.; Wortmann, G.; Beraud, A.; Krisch, M.; Farber, D.; Antonangeli, D.; Aracne, C.; Zarestky, J.L.; Mcqueeney, R.; Mathon, O.; Baudelet, F.; Decremps, F.; Itie, J.P.; Nataf, I.; Pascarelli, S.; Polian, A.

    2006-01-01

    The workshop is dedicated to recent advances on science at high pressure at third generation synchrotron sources. A variety of experiments using synchrotron radiation techniques including X-ray diffraction, EXAFS (extended X-ray absorption fine structure), inelastic X-ray scattering, Compton scattering and Moessbauer spectroscopy of crystalline, liquid or amorphous samples, are reported. This document gathers the abstracts of the presentations

  5. A Synchrotron Mössbauer Spectroscopy Study of a Hydrated Iron-Sulfate at High Pressures

    Science.gov (United States)

    Perez, T. M.; Finkelstein, G. J.; Solomatova, N. V.; Jackson, J. M.

    2017-12-01

    Szomolnokite is a monohydrated ferrous iron sulfate mineral, FeSO4*H2O, where the ferrous iron atoms are in octahedral coordination with four corners shared with SO4 and two with H2O. While somewhat rare on Earth, szomolnokite has been detected on the surface of Mars along with several other hydrated sulfates and suggested to occur near the surface of Venus [1,2]. It is not clear if these sulfates are a result of reactions occurring at depth driven by changes in the behavior of iron in the sulfate. To date, only a few high-pressure studies have been conducted on hydrated iron sulfates using Mössbauer spectroscopy. Our study represents a first step towards understanding of the electronic environment of iron in a monohydrated sulfate at pressure. Using a hydrostatic helium pressure-transmitting medium, the pressure dependence of iron's site-specific behavior in a synthetic szomolnokite powdered sample was explored up to about 100 GPa with time-resolved synchrotron Mössbauer spectroscopy at the Advanced Photon Source of Argonne National Laboratory. At 1 bar, the Mössbauer spectrum is well described by three Fe2+-like sites, consistent with conventional Mössbauer spectra reported in Dyar et al. [3]. At pressures up to 20 GPa, changes in the hyperfine parameters are most likely due to a structural phase transition. Above this pressure, a fourth site is required to explain the time-spectra. Changes in the electronic configuration of iron, such as those due to a phase transition and/or a spin crossover, will affect the material's compressibility and transport properties. We will compare our high-pressure trends with those of other iron-bearing phases and discuss the relative influence on the dynamics of terrestrial planetary interiors. 1. Bishop et al. (2014) What Lurks in the Martian Rocks and Soil? Investigations of Sulfates, Phosphates, and Perchlorates. Spectral and thermal properties of perchlorate salts and implications for Mars. Am. Min. 99(8-9), 1580

  6. High-pressure x-ray diffraction study on lithium borohydride using a synchrotron radiation

    Science.gov (United States)

    Nakano, S.; Nakayama, A.; Kikegawa, T.

    2008-07-01

    Lithium borohydride (LiBH4) was compressed up to 10 GPa using a diamond-anvil-cell to investigate its high-pressure structure. In-situ x-ray diffraction profiles indicated a pressure-induced transformation at 1.1 GPa, which was consistent with the previous experimental observation such as Raman scattering spectroscopy. The high-pressure phase was indexed on a tetragonal symmetry of P42/mmc, which was not corresponding some structural models proposed by previous calculation studies. An unknown substance (presumably another Li-B-H compound), which was contained in the starting material, also transformed into its high-pressure phase at 0.6 GPa without any relation to the transformation of LiBH4.

  7. High-pressure x-ray diffraction study on lithium borohydride using a synchrotron radiation

    Energy Technology Data Exchange (ETDEWEB)

    Nakano, S [National Institute for Materials Science, Tsukuba, Ibaraki 305-0044 (Japan); Nakayama, A [Department of Materials Science and Engineering, Meijo University, Nagoya 468-8502 (Japan); Kikegawa, T [Photon Factory (PF), Institute of Materials Structure Science, High Energy Accelerator Research Organization (KEK), Ibaraki 305-0801 (Japan)], E-mail: NAKANO.Satoshi@nims.go.jp

    2008-07-15

    Lithium borohydride (LiBH{sub 4}) was compressed up to 10 GPa using a diamond-anvil-cell to investigate its high-pressure structure. In-situ x-ray diffraction profiles indicated a pressure-induced transformation at 1.1 GPa, which was consistent with the previous experimental observation such as Raman scattering spectroscopy. The high-pressure phase was indexed on a tetragonal symmetry of P4{sub 2}/mmc, which was not corresponding some structural models proposed by previous calculation studies. An unknown substance (presumably another Li-B-H compound), which was contained in the starting material, also transformed into its high-pressure phase at 0.6 GPa without any relation to the transformation of LiBH{sub 4}.

  8. High-pressure phases of uranium monophosphide studied by synchrotron x-ray diffraction

    DEFF Research Database (Denmark)

    Olsen, J. Staun; Gerward, Leif; Benedict, U.

    1988-01-01

    X-ray diffraction studies have been performed on UP powder for pressures up to 51 GPa using synchrotron radiation and a diamond-anvil cell. At ambient pressure UP has the rocksalt structure. The bulk modulus has been determined to B0=102(4) GPa and its pressure derivative to B0’=4.0(8). The cubic...

  9. High pressure phases of uranium monophosphide studied by synchrotron X-ray diffraction

    International Nuclear Information System (INIS)

    Staun Olson, J.; Gerward, L.; Benedict, U.; Dabos, S.; Vogt, O.

    1988-01-01

    X-ray diffraction studies have been performed on UP powder for pressures up to 51 GPa using synchrotron radiation and a diamond anvil cell. At ambient pressure UP has the rocksalt structure. The bulk modulus has been determined to B 0 = 102(4) GPa and its pressure derivative to B 0 ' = 4.0(8). The cubic phase has been found to transform to a new phase, UP II, at about 10 GPa. UP II can be characterized by a rhombohedral Bravais lattice. UP II transforms to an orthorhombic phase, UP III, at 28 GPa. No volume change has been observed at the two transitions. The influence of the 5f electrons on the transformations is discussed. (orig.)

  10. High pressure and synchrotron radiation studies of solid state electronic instabilities

    International Nuclear Information System (INIS)

    Pifer, J.H.; Croft, M.C.

    1992-04-01

    This report discusses Eu and General Valence Instabilities; Ce Problem: L 3 Spectroscopy Emphasis; Bulk Property Emphasis; Transition Metal Compound Electronic Structure; Electronic Structure-Phonon Coupling Studies; High Temperature Superconductivity and Oxide Materials; and Novel Materials Collaboration with Chemistry

  11. Advances and synergy of high pressure sciences at synchrotron sources

    International Nuclear Information System (INIS)

    Liu, H.; Ehm, L.; Duffy, T.; Crichton, W.; Aoki, K.

    2009-01-01

    Introductory overview to the special issue papers on high-pressure sciences and synchrotron radiation. High-pressure research in geosciences, materials science and condensed matter physics at synchrotron sources is experiencing growth and development through synergistic efforts around the world. A series of high-pressure science workshops were organized in 2008 to highlight these developments. One of these workshops, on 'Advances in high-pressure science using synchrotron X-rays', was held at the National Synchrotron Light Source (NSLS), Brookhaven National Laboratory, USA, on 4 October 2008. This workshop was organized in honour of Drs Jingzhu Hu and Quanzhong Guo in celebration of their retirement after up to 18 years of dedicated service to the high-pressure community as beamline scientists at X17 of NSLS. Following this celebration of the often unheralded role of the beamline scientist, a special issue of the Journal of Synchrotron Radiation on Advances and Synergy of High-Pressure Sciences at Synchrotron Sources was proposed, and we were pleased to invite contributions from colleagues who participated in the workshop as well as others who are making similar efforts at synchrotron sources worldwide.

  12. In-situ Diffraction Study of Magnetite at Simultaneous High Pressure and High Temperature Using Synchrotron Radiation

    Science.gov (United States)

    Wang, L.; Zhang, J.; Wang, S.; Chen, H.; Zhao, Y.

    2014-12-01

    Magnetite intertwined with the evolution of human civilizations, and remains so today. It is technologically and scientifically important by virtue of its unique magnetic and electrical properties. Magnetite is a common mineral found in a variety of geologic environments, and plays an important role in deciphering the oxygen evolution in the Earth's atmosphere and its deep interiors. The latter application asks for the knowledge of the thermal and elastic properties of magnetite at high pressures and temperatures, which is currently not available in literature. We have carried out a few in-situ diffraction experiments on magnetite using white synchrotron radiation at beamline X17B2 of National Synchrotron Light Source (NSLS). A DIA module in an 1100-ton press and WC anvils were employed for compression, and diffraction spectra were collected at simultaneous high pressures (P) and temperatures (T) (up to 9 GPa and 900 oC). Mixture of amorphous boron and epoxy resin was used as pressure medium, and NaCl as pressure marker. Temperature was recorded by W-Re thermocouples. Commercially purchased magnetite powder and a mixture of the said powder and NaCl (1:1) were used as starting material in separate experiments. Preliminary data analyses have yielded following observations: (1) Charge disordering seen at ambient pressure remains active in current experiments, especially at lower pressures (reversibility and degree of cation disordering depend on the starting material and/or experimental P-T path; and (4) cation disordering notably reduces the apparent bulk moduli of magnetite.

  13. Synchrotron X-ray diffraction studies of phase transitions and mechanical properties of nanocrystalline materials at high pressure

    International Nuclear Information System (INIS)

    Prilliman, Gerald Stephen

    2003-01-01

    The behavior of nanocrystals under extreme pressure was investigated using synchrotron x-ray diffraction. A major part of this investigation was the testing of a prototype synchrotron endstation on a bend magnet beamline at the Advanced Light Source for high pressure work using a diamond anvil cell. The experiments conducted and documented here helped to determine issues of efficiency and accuracy that had to be resolved before the construction of a dedicated ''super-bend'' beamline and endstation. The major conclusions were the need for a cryo-cooled monochromator and a fully remote-controllable pressurization system which would decrease the time to change pressure and greatly reduce the error created by the re-placement of the diamond anvil cell after each pressure change. Two very different types of nanocrystal systems were studied, colloidal iron oxide (Fe 2 O 3 ) and thin film TiN/BN. Iron oxide nanocrystals were found to have a transition from the γ to the α structure at a pressure strongly dependent on the size of the nanocrystals, ranging from 26 GPa for 7.2 nm nanocrystals to 37 GPa for 3.6 nm nanocrystals. All nanocrystals were found to remain in the α structure even after release of pressure. The transition pressure was also found, for a constant size (5.7 nm) to be strongly dependent on the degree of aggregation of the nanocrystals, increasing from 30 GPa for completely dissolved nanocrystals to 45 GPa for strongly aggregated nanocrystals. Furthermore, the x-ray diffraction pattern of the pressure induced α phase demonstrated a decrease in intensity for certain select peaks. Together, these observations were used to make a complete picture of the phase transition in nanocrystalline systems. The size dependence of the transition was interpreted as resulting from the extremely high surface energy of the α phase which would increase the thermodynamic offset and thereby increase the kinetic barrier to transition that must be overridden with pressure

  14. Synchrotron X-ray diffraction studies of phase transitions and mechanical properties of nanocrystalline materials at high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Prilliman, Stephen Gerald [Univ. of California, Berkeley, CA (United States)

    2003-01-01

    The behavior of nanocrystals under extreme pressure was investigated using synchrotron x-ray diffraction. A major part of this investigation was the testing of a prototype synchrotron endstation on a bend magnet beamline at the Advanced Light Source for high pressure work using a diamond anvil cell. The experiments conducted and documented here helped to determine issues of efficiency and accuracy that had to be resolved before the construction of a dedicated ''super-bend'' beamline and endstation. The major conclusions were the need for a cryo-cooled monochromator and a fully remote-controllable pressurization system which would decrease the time to change pressure and greatly reduce the error created by the re-placement of the diamond anvil cell after each pressure change. Two very different types of nanocrystal systems were studied, colloidal iron oxide (Fe2O3) and thin film TiN/BN. Iron oxide nanocrystals were found to have a transition from the γ to the α structure at a pressure strongly dependent on the size of the nanocrystals, ranging from 26 GPa for 7.2 nm nanocrystals to 37 GPa for 3.6 nm nanocrystals. All nanocrystals were found to remain in the α structure even after release of pressure. The transition pressure was also found, for a constant size (5.7 nm) to be strongly dependent on the degree of aggregation of the nanocrystals, increasing from 30 GPa for completely dissolved nanocrystals to 45 GPa for strongly aggregated nanocrystals. Furthermore, the x-ray diffraction pattern of the pressure induced α phase demonstrated a decrease in intensity for certain select peaks. Together, these observations were used to make a complete picture of the phase transition in nanocrystalline systems. The size dependence of the transition was interpreted as resulting from the extremely high surface energy of the α phase which would increase the thermodynamic offset and thereby increase the kinetic barrier to transition

  15. Cation-dependent anomalous compression of gallosilicate zeolites with CGS topology: A high-pressure synchrotron powder diffraction study

    International Nuclear Information System (INIS)

    Lee, Yongjae; Lee, Hyun-Hwi; Lee, Dong Ryeol; Kim, Sun Jin; Kao, Chi-chang

    2008-01-01

    The high-pressure compression behaviour of 3 different cation forms of gallosilicate zeolite with CGS topology has been investigated using in situ synchrotron X-ray powder diffraction and a diamond-anvil cell technique. Under hydrostatic conditions mediated by a nominally penetrating pressure-transmitting medium, unit-cell lengths and volume compression is modulated by different degrees of pressure-induced hydration and accompanying channel distortion. In a Na-exchanged CGS (Na 10 Ga 10 Si 22 O 64 .16H 2 O), the unit-cell volume expands by ca. 0.6% upon applying hydrostatic pressure to 0.2 GPa, whereas, in an as-synthesized K-form (K 10 Ga 10 Si 22 O 64 .5H 2 O), this initial volume expansion is suppressed to ca. 0.1% at 0.16 GPa. In the early stage of hydrostatic compression below ∼1 GPa, relative decrease in the ellipticity of the non-planar 10-rings is observed, which is then reverted to a gradual increase in the ellipticity at higher pressures above ∼1 GPa, implying a change in the compression mechanism. In a Sr-exchanged sample (Sr 5 Ga 10 Si 22 O 64 .19H 2 O), on the other hand, no initial volume expansion is observed. Instead, a change in the slope of volume contraction is observed near 1.5 GPa, which leads to a 2-fold increase in the compressibility. This is interpreted as pressure-induced rearrangement of water molecules to facilitate further volume contraction at higher pressures. - Graphical abstract: Three different cation forms of gallosilicate CGS zeolites have been investigated using synchrotron X-ray powder diffraction and a diamond-anvil cell. Under hydrostatic conditions, unit-cell lengths and volume show anomalous compression behaviours depending on the non-framework cation type and initial hydration level, which implies different modes of pressure-induced hydration and channel distortion

  16. X-ray diffraction at high pressure and high/low temperatures using synchrotron radiation. Applications in the study of spinel structures

    International Nuclear Information System (INIS)

    Gerward, L.; Jiang, J.Z.; Olsen, J.S.; Recio, J.M.; Wakowska, A.

    2004-01-01

    High-pressure x-ray diffraction made a quantum leap in the 1960's with the advent of the diamond-anvil cell. This ingenious device, where two opposing diamond faces apply pressure to a tiny sample, made it possible to replicate the pressure near the core of the Earth by turning a thumbscrew. Multianvil cells, such as the Japanese MAX80 press, were developed for combined high-pressure and high-temperature studies. The availability n at about the same time n of dedicated synchrotron radiation sources of hard x-rays was another big step forward. Since then, the white-beam energy-dispersive method has been the workhorse for high pressure, high-temperature x-ray diffraction, although it is now gradually being replaced by high-resolution monochromatic methods based on the image plate, the CCD camera or other electronic area detectors. The first part of the paper is a review of high-pressure x-ray diffraction (HPXRD), covering roughly the last three decades. Physical parameters, such as the bulk modulus, the compressibility and the equation of state, are defined. The diamond-anvil cell, the multianvil press and other high-pressure devices are described, as well as synchrotron radiation sources and recording techniques. Examples are drawn from current experimental and theoretical research on crystal structures of the spinel type. Accurate structural parameters have been determined at ambient conditions and at low temperatures using single-crystal diffraction and four-circle diffractometers. The uniform high-pressure behavior of the oxide spinels has been investigated in detail and compared with the corresponding behavior of selenium-based spinels. The synthesis of advanced novel materials is exemplified in the case of the cubic spinel Si 3 N 4 . This and other nitrogen spinels, which have a bulk modulus of about 300 GPa modulated by the actual cation, are opening a road towards superhard materials. The paper finishes off with an outlook into the future, where new

  17. High-pressure synchrotron infrared spectroscopy at the National Synchrotron Light Source

    International Nuclear Information System (INIS)

    Hemley, R.J.; Goncharov, A.F.; Lu, R.; Struzhkin, V.V.; Li, M.; Mao, H.K.

    1998-01-01

    The paper describes a synchrotron infrared facility for high-pressure spectroscopy and microspectroscopy at the National Synchrotron Light-Source (NSLS). Located at beamline U2B on the VUV ring of the NSLS, the facility utilizes a commercial FT-IR together with custom-built microscope optics designed for a variety of diamond anvil cell experiments, including low- and high- temperature studies. The system contains an integrated laser optical/grating spectrometer for concurrent optical experiments. The facility has been used to characterize a growing number of materials to ultrahigh pressure and has been instrumental of new high-pressure phenomena. Experiments on dense hydrogen to >200 GPa have led to the discovery of numerous unexpected properties of this fundamental system. The theoretically predicted molecular-atomic transition of H 2 O ice to the symmetric hydrogen-bonded structure has been identified, and new classes of high-density clathrates and molecular compounds have been characterized. Experiments on natural and synthetic mineral samples have been performed to study hydrogen speciation, phase transformations, and microscopic inclusions in multiphase assemblages. Detailed information on the behavior of new materials, including novel high-pressure glasses and ceramics, has also been obtained

  18. High-pressure behavior of synthetic mordenite-Na. An in situ single-crystal synchrotron X-ray diffraction study

    Energy Technology Data Exchange (ETDEWEB)

    Lotti, Paolo; Merlini, Marco [Univ. degli Studi di Milano, (Italy). Dipt. di Scienze della Terra; Gatta, G. Diego [Univ. degli Studi di Milano, (Italy). Dipt. di Scienze della Terra; CNR, Bari (Italy). Int. di Cristallografia; Liermann, Hanns-Peter [DESY, Hamburg (Germany). Photon Sciences

    2015-05-01

    The high-pressure behavior of a synthetic mordenite-Na (space group: Cmcm or Cmc2{sub 1}) was studied by in situ single-crystal synchrotron X-ray diffraction with a diamond anvil cell up to 9.22(7) GPa. A phase transition, likely displacive in character, occurred between 1.68(7) and 2.70(8) GPa, from a C-centered to a primitive space group: possibly Pbnm, Pbnn or Pbn2{sub 1}. Fitting of the experimental data with III-BM equations of state allowed to describe the elastic behavior of the high-pressure polymorph with a primitive lattice. A very high volume compressibility [K{sub V0} = 25(2) GPa, β{sub V0} = 1/K{sub V0} = 0.040(3) GPa{sup -1}; K{sub V}' = (∂K{sub V}/∂P){sub T} = 2.0(3)], coupled with a remarkable elastic anisotropy (β{sub b}>>β{sub c}>β{sub a}), was found. Interestingly, the low-P and high-P polymorphs show the same anisotropic compressional scheme. A structure collapse was not observed up to 9.22(7) GPa, even though a strong decrease of the number of observed reflections at the highest pressures suggests an impending amorphization. The structure refinements performed at room-P, 0.98(2) and 1.68(7) GPa allowed to describe, at a first approximation, the mechanisms that govern the framework deformation in the low-P regime: the bulk compression is strongly accommodated by the increase of the ellipticity of the large 12-membered ring channels running along [001].

  19. High-pressure X-ray diffraction experiments on US using synchrotron radiation

    International Nuclear Information System (INIS)

    Olsen, J.S.; Steenstrup, S.

    1983-12-01

    High-pressure X-ray diffraction studies have been performed on US up to 40 GPa using synchrotron radiation and a diamond anvil cell. The measured value of the bulk modulus B 0 = 92 GPa is in reasonable agreement with calculations. The high-pressure behaviour indicates a phase transformation to US III at about 15 GPa. The transformation is a smooth deformation process, which starts with a tetragonal structure asub(tetr) = asub(cub)/√2, csub(tetr) = 2asub(cub) and continues with an orthorhombic structure with a = 375(3)pm, b = 345(3)pm, c = 1069 (24)pm at 35 GPa; it is of second order nature within experimental errors and it should involve some contributions from uranium f electrons. (orig.)

  20. Effects of high pressure on internally self-assembled lipid nanoparticles: a synchrotron small-angle X-ray scattering (SAXS) study

    Czech Academy of Sciences Publication Activity Database

    Kulkarni, C. V.; Yaghmur, A.; Steinhart, Miloš; Kriechbaum, M.; Rappolt, M.

    2016-01-01

    Roč. 32, č. 45 (2016), s. 11907-11917 ISSN 0743-7463 Institutional support: RVO:61389013 Keywords : self-assebled lipid nanoparticles * synchrotron * SAXS Subject RIV: CD - Macromolecular Chemistry Impact factor: 3.833, year: 2016

  1. Nuclear magnetic resonance studies at high pressures

    International Nuclear Information System (INIS)

    Jonas, J.

    1980-01-01

    Recent advances in the field of NMR spectroscopy at high pressure are reviewed. After a brief discussion of two novel experimental techniques, the main focus of this review is on several specific studies which illustrate the versatility and power of this high pressure field. Experimental aspects of NMR measurements at high pressure and high temperature and the techniques for the high resolution NMR spectroscopy at high pressure are discussed. An overview of NMR studies of the dynamic structure of simple polyatomic liquids and hydrogen bonded liquids is followed by a discussion of high resolution spectroscopy at high pressure. Examples of NMR studies of disordered organic solids and polymers conclude the review. (author)

  2. Time-resolved x-ray diffraction measurement of C60 under high pressure and temperature using synchrotron radiation

    International Nuclear Information System (INIS)

    Horikawa, T; Suito, K; Kobayashi, M; Onodera, A

    2002-01-01

    C 60 has been studied by means of time-resolved x-ray diffraction measurements using synchrotron radiation. Diffraction patterns were recorded at intervals of 1-10 min for samples under high pressure (12.5 and 14.3 GPa) and high temperature (up to 800 deg. C) for, at the longest, 3 h. Time, pressure, and temperature dependences of the C 60 structure are presented and the relevance to the hardness of materials derived from C 60 is discussed

  3. High pressure X-ray studies

    International Nuclear Information System (INIS)

    Sikka, S.K.

    1981-01-01

    High pressure research has already led to new insights in the physical properties of materials and at times to the synthesis of new ones. In all this, X-ray diffraction has been a valuable diagnostic experimental tool. In particular, X-rays in high pressure field have been used (a) for crystallographic identification of high pressure polymorphs and (b) for study of the effect of pressure on lattice parameters and volume under isothermal conditions. The results in the area (a) are reviewed. The techniques of applying high pressures are described. These include both static and dynamic shockwave X-ray apparatus. To illustrate the effect of pressure, some of the pressure induced phase transitions in pure metals are described. It has been found that there is a clear trend for elements in any group of the periodic table to adopt similar structures at high pressures. These studies have enabled to construct generalized phase diagrams for many groups. In the case of alloys, the high pressure work done on Ti-V alloys is presented. (author)

  4. HPCAT: an integrated high-pressure synchrotron facility at the Advanced Photon Source

    International Nuclear Information System (INIS)

    Shen, Guoyin; Chow, Paul; Xiao, Yuming; Sinogeikin, Stanislav; Meng, Yue; Yang, Wenge; Liermann, Hans-Peter; Shebanova, Olga; Rod, Eric; Bommannavar, Arunkumar; Mao, Ho-Kwang

    2008-01-01

    The high pressure collaborative access team (HPCAT) was established to advance cutting edge, multidisciplinary, high-pressure (HP) science and technology using synchrotron radiation at sector 16 of the Advanced Photon Source of Argonne National Laboratory. The integrated HPCAT facility has established four operating beamlines in nine hutches. Two beamlines are split in energy space from the insertion device (16ID) line, whereas the other two are spatially divided into two fans from the bending magnet (16BM) line. An array of novel X-ray diffraction and spectroscopic techniques has been integrated with HP and extreme temperature instrumentation at HPCAT. With a multidisciplinary approach and multi-institution collaborations, the HP program at the HPCAT has been enabling myriad scientific breakthroughs in HP physics, chemistry, materials, and Earth and planetary sciences.

  5. Study of ceramics sintering under high pressures

    International Nuclear Information System (INIS)

    Kunrath Neto, A.O.

    1990-01-01

    A systematic study was made on high pressure sintering of ceramics in order to obtain materials with controlled microstructure, which are not accessible by conventional methods. Some aspects with particular interest were: to achieve very low porosity, with fine grains; to produce dispersed metastable and denser phases which can act as toughening agents; the study of new possibilities for toughening enhancement. (author)

  6. High pressure studies on uranium and thorium silicide compounds: Experiment and theory

    DEFF Research Database (Denmark)

    Yagoubi, S.; Heathman, S.; Svane, A.

    2013-01-01

    The actinide silicides ThSi, USi and USi2 have been studied under high pressure using both theory and experiment. High pressure synchrotron X-ray diffraction experiments were performed on polycrystalline samples in diamond anvil cells at room temperature and for pressures up to 54, 52 and 26 GPa...

  7. High pressure studies of planetary matter

    International Nuclear Information System (INIS)

    Ross, M.

    1989-06-01

    Those materials which are of greatest interest to the physics of the deep planetary interiors are Fe, H 2 , He and the Ices. These are sufficiently diverse and intensively studied to offer an overview of present day high pressure research. 13 refs., 1 fig

  8. Raman study of opal at high pressure

    Science.gov (United States)

    Farfan, G.; Wang, S.; Mao, W. L.

    2011-12-01

    More commonly known for their beauty and lore as gemstones, opals are also intriguing geological materials which may have potential for materials science applications. Opal lacks a definite crystalline structure, and is composed of an amorphous packing of hydrated silica (SiO2) spheroids, which provides us with a unique nano-scaled mineraloid with properties unlike those of other amorphous materials like glass. Opals from different localities were studied at high pressure using a diamond anvil cell to apply pressure and Raman spectroscopy to look at changes in bonding as pressure was increased. We first tested different samples from Virgin Valley, NV, Spencer, ID, Juniper Ridge, OR, and Australia, which contain varying amounts of water at ambient conditions, using Raman spectroscopy to determine if they were opal-CT (semicrystalline cristobalite-trydimite volcanic origin) or opal-A (amorphous sedimentary origin). We then used x-ray diffraction and Raman spectroscopy in a diamond anvil cell to see how their bonding and structure changed under compression and to determine what effect water content had on their high pressure behavior. Comparison of our results on opal to other high pressure studies of amorphous materials like glass has implications from a geological and materials science standpoint.

  9. Apparatus development for high-pressure X-ray diffraction using synchrotron radiation

    International Nuclear Information System (INIS)

    Martinez, L.G.; Orlando, M.T.D.; Rossi, J.L.; Passamai Junior, J.L.; Melo, F.C.L.; Ferreira, F.F.

    2006-01-01

    Some phenomena in the field of condensed matter physics can be studied when the matter is submitted to extreme conditions of pressure, magnetic fields or temperatures. Once submitted to these conditions it is generally necessary to measure the properties of the matter in situ. The existence of a synchrotron light laboratory in Brazil opens up the chance of studying materials in extreme conditions by techniques like X-ray diffraction and absorption. However, when compared to high-energy synchrotrons accelerators, the Brazilian source offers a narrower energy range and lower flux. These facts impose limitation to perform diffraction experiments by energy dispersion and, consequently, the use of pressure cells with denser anvils like diamond. However, for a lower-pressure range, preliminary studies showed the viability of measurements in an angular dispersion configuration. This allows the use of silicon carbide anvils B 4C . In this work it is described the development of a hydrostatic pressure cell suitable for X-rays diffraction measurements in the Brazilian Synchrotron Light Laboratory using materials and technologies developed by the institutions and researchers involved in this project (IPEN, UFES, CTA and LNLS). This development can provide the scientific community with the possibility of performing X-ray diffraction measurements under hydrostatic pressure, initially up to 2 GPa, with possibilities of increasing the maximum pressure to higher values, with or without application of magnetic fields and high or low temperatures. (author)

  10. Experimental determination of bulk modulus of 14Å tobermorite using high pressure synchrotron X-ray diffraction

    KAUST Repository

    Oh, Jae Eun; Clark, Simon M.; Wenk, Hans-Rudolf; Monteiro, Paulo J.M.

    2012-01-01

    Using a diamond anvil cell, 14 Å tobermorite, a structural analogue of calcium silicate hydrates (C-S-H), was examined by high-pressure synchrotron X-ray diffraction up to 4.8 GPa under hydrostatic conditions. The bulk modulus of 14 Å tobermorite was calculated, K o = 47 GPa. Comparison of the current results with previous high pressure studies on C-S-H(I) indicates that: (1) the compression behavior of the lattice parameters a and b of 14 Å tobermorite and C-S-H(I) are very similar, implying that both materials may have very similar Ca-O layers, and also implying that an introduction of structural defects into the Ca-O layers may not substantially change in-plane incompressibility of the ab plane of 14 Å tobermorite; and (2) the bulk modulus values of 14 Å tobermorite and C-S-H(I) are dominated by the incompressibility of the lattice parameter c, which is directly related to the interlayer spacing composed of dreierketten silicate chains, interlayer Ca, and water molecules. © 2011 Elsevier Ltd. All rights reserved.

  11. Experimental determination of bulk modulus of 14Å tobermorite using high pressure synchrotron X-ray diffraction

    KAUST Repository

    Oh, Jae Eun

    2012-02-01

    Using a diamond anvil cell, 14 Å tobermorite, a structural analogue of calcium silicate hydrates (C-S-H), was examined by high-pressure synchrotron X-ray diffraction up to 4.8 GPa under hydrostatic conditions. The bulk modulus of 14 Å tobermorite was calculated, K o = 47 GPa. Comparison of the current results with previous high pressure studies on C-S-H(I) indicates that: (1) the compression behavior of the lattice parameters a and b of 14 Å tobermorite and C-S-H(I) are very similar, implying that both materials may have very similar Ca-O layers, and also implying that an introduction of structural defects into the Ca-O layers may not substantially change in-plane incompressibility of the ab plane of 14 Å tobermorite; and (2) the bulk modulus values of 14 Å tobermorite and C-S-H(I) are dominated by the incompressibility of the lattice parameter c, which is directly related to the interlayer spacing composed of dreierketten silicate chains, interlayer Ca, and water molecules. © 2011 Elsevier Ltd. All rights reserved.

  12. Recent progress in high-pressure studies on organic conductors

    Directory of Open Access Journals (Sweden)

    Syuma Yasuzuka and Keizo Murata

    2009-01-01

    Full Text Available Recent high-pressure studies of organic conductors and superconductors are reviewed. The discovery of the highest Tc superconductivity among organics under high pressure has triggered the further progress of the high-pressure research. Owing to this finding, various organic conductors with the strong electron correlation were investigated under high pressures. This review includes the pressure techniques using the cubic anvil apparatus, as well as high-pressure studies of the organic conductors up to 10 GPa showing extraordinary temperature and pressure dependent transport phenomena.

  13. High pressure study of high-temperature superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Souliou, Sofia-Michaela

    2014-09-29

    The current thesis studies experimentally the effect of high external pressure on high-T{sub c} superconductors. The structure and lattice dynamics of several members of the high-T{sub c} cuprate and Fe-based superconductors families were investigated by means of Raman spectroscopy and X-ray diffraction under well-controlled, hydrostatic high pressure and low temperature conditions. The lattice dynamics of the high-T{sub c} superconductor YBa{sub 2}Cu{sub 3}O{sub 6+x} have been investigated systematically by Raman spectroscopy as a function of doping (x = 0.95, 0.75, 0.60, 0.55, and 0.45) and external pressure. Under ambient pressure conditions, in addition to the Raman modes expected from group theory, we observe new Raman active phonons upon cooling the underdoped samples, at temperatures well above the superconducting transition temperature. The doping dependence and the onset temperatures of the new Raman features suggest that they are associated with the incommensurate charge density wave (CDW) state recently discovered in underdoped cuprates using synchrotron X-ray scattering techniques. Under high pressure conditions (from 2 to 12 GPa), our Raman measurements on highly ordered underdoped YBa{sub 2}Cu{sub 3}O{sub 6.55} samples do not show any of the new Raman phonons seen at ambient pressure. High pressure and low temperature Raman measurements have been performed on the underdoped superconductor YBa{sub 2}Cu{sub 4}O{sub 8}. A clear renormalization of some of the Raman phonons is seen below T{sub c} as a result of the changes in the phonon self-energy upon the opening of the superconducting gap, with the most prominent one being that of the B{sub 1g}-like buckling phonon mode. The amplitude of this renormalization strongly increases with pressure, resembling the effect of hole doping in YBa{sub 2}Cu{sub 3}O{sub 6+x}. At ∝ 10 GPa, the system undergoes a reversible pressure-induced structural phase transition to a non-centrosymmmetric structure (space group

  14. High pressure study of high-temperature superconductors

    International Nuclear Information System (INIS)

    Souliou, Sofia-Michaela

    2014-01-01

    The current thesis studies experimentally the effect of high external pressure on high-T c superconductors. The structure and lattice dynamics of several members of the high-T c cuprate and Fe-based superconductors families were investigated by means of Raman spectroscopy and X-ray diffraction under well-controlled, hydrostatic high pressure and low temperature conditions. The lattice dynamics of the high-T c superconductor YBa 2 Cu 3 O 6+x have been investigated systematically by Raman spectroscopy as a function of doping (x = 0.95, 0.75, 0.60, 0.55, and 0.45) and external pressure. Under ambient pressure conditions, in addition to the Raman modes expected from group theory, we observe new Raman active phonons upon cooling the underdoped samples, at temperatures well above the superconducting transition temperature. The doping dependence and the onset temperatures of the new Raman features suggest that they are associated with the incommensurate charge density wave (CDW) state recently discovered in underdoped cuprates using synchrotron X-ray scattering techniques. Under high pressure conditions (from 2 to 12 GPa), our Raman measurements on highly ordered underdoped YBa 2 Cu 3 O 6.55 samples do not show any of the new Raman phonons seen at ambient pressure. High pressure and low temperature Raman measurements have been performed on the underdoped superconductor YBa 2 Cu 4 O 8 . A clear renormalization of some of the Raman phonons is seen below T c as a result of the changes in the phonon self-energy upon the opening of the superconducting gap, with the most prominent one being that of the B 1g -like buckling phonon mode. The amplitude of this renormalization strongly increases with pressure, resembling the effect of hole doping in YBa 2 Cu 3 O 6+x . At ∝ 10 GPa, the system undergoes a reversible pressure-induced structural phase transition to a non-centrosymmmetric structure (space group Imm2). The structural transition is clearly reflected in the high pressure

  15. X-ray Diffraction Study of Arsenopyrite at High Pressure

    Energy Technology Data Exchange (ETDEWEB)

    D Fan; M Ma; W Zhou; S Wei; Z Chen; H Xie

    2011-12-31

    The high-pressure X-ray diffraction study of a natural arsenopyrite was investigated up to 28.2 GPa using in situ angle-dispersive X-ray diffraction and a diamond anvil cell at National Synchrotron Light Source, Brookhaven National Laboratory. The 16:3:1 methanol-ethanol-water mixture was used as a pressure-transmitting medium. Pressures were measured using the ruby-fluorescence method. No phase change has been observed up to 28.2 GPa. The isothermal equation of state (EOS) was determined. The values of K{sub 0}, and K'{sub 0} refined with a third-order Birch-Murnaghan EOS are K{sub 0} = 123(9) GPa, and K'{sub 0} = 5.2(8). Furthermore, we confirm that the linear compressibilities ({beta}) along a, b and c directions of arsenopyrite is elastically isotropic ({beta}{sub a} = 6.82 x 10{sup -4}, {beta}{sub b} = 6.17 x 10{sup -4} and {beta}{sub c} = 6.57 x 10{sup -4} GPa{sup -1}).

  16. EXAFS measurements under high pressure conditions using a combination of a diamond anvil cell and synchrotron radiation

    International Nuclear Information System (INIS)

    Sueno, Shigeho; Nakai, Izumi; Imafuku, Masayuki; Morikawa, Hideki; Kimata, Mitsuyoshi; Ohsumi, Kazumasa; Nomura, Masaharu; Shimomura, Osamu.

    1986-01-01

    EXAFS spectra for Fe, Co, Ni K-edges were successfully measured under high pressure conditions using a combination of a set of normal 1/8 carat diamond anvils, synchrotron radiation and a scintillation counter. A newly developed motor controlled goniometer stage was used for adjusting the position of a miniature diamond anvil cell. On the measurement of Cr and Mn spectra, specially designed thinner diamond anvil was necessary. EXAFS analysis of bis(dimethylglyoximato)nickel(II) at pressures from 1 atm to 5.6 GPa was made. (author)

  17. Time-resolved x-ray diffraction measurement of C{sub 60} under high pressure and temperature using synchrotron radiation

    Energy Technology Data Exchange (ETDEWEB)

    Horikawa, T [Graduate School of Engineering Science, Osaka University, Toyonaka, Osaka 560-8531 (Japan); Suito, K [Graduate School of Engineering Science, Osaka University, Toyonaka, Osaka 560-8531 (Japan); Kobayashi, M [Graduate School of Engineering Science, Osaka University, Toyonaka, Osaka 560-8531 (Japan); Onodera, A [Graduate School of Engineering Science, Osaka University, Toyonaka, Osaka 560-8531 (Japan)

    2002-11-11

    C{sub 60} has been studied by means of time-resolved x-ray diffraction measurements using synchrotron radiation. Diffraction patterns were recorded at intervals of 1-10 min for samples under high pressure (12.5 and 14.3 GPa) and high temperature (up to 800 deg. C) for, at the longest, 3 h. Time, pressure, and temperature dependences of the C{sub 60} structure are presented and the relevance to the hardness of materials derived from C{sub 60} is discussed.

  18. High pressure Moessbauer spectroscopy with nuclear resonant forward scattering of synchrotron radiation

    Energy Technology Data Exchange (ETDEWEB)

    Nasu, Saburo [Osaka Univ., Toyonaka (Japan). Faculty of Engineering Science

    1996-04-01

    The first observation of the pressure-induced transition from the antiferromagnetic to the ferromagnetic SrFeO{sub 3} was succeeded by measuring Moessbauer spectroscopy under high pressure produced by the diamond anvil cell (DAC). Sample is a polycrystal powder of antiferromagnetic SrFe0{sub 3} with the Neel temperature T{sub N}=140 K, the cubic system and perovskite type crystal. The average pressures used were 44 GPa and 74 GPa (300 K). SrFeO{sub 3} is paramagnetic material at 300 K, but the Neel temperature increases more than 300 K under high pressure and the quantized axis turns to the external magnetic field, so that we take it as it means the system displaying the phase transition to the ferromagnet. By the method, we can practice the measurement at low and high temperature under the external magnetic field by using the polarized light source. (S.Y.)

  19. High pressure structural behavior of YGa2: A combined experimental and theoretical study

    International Nuclear Information System (INIS)

    Sekar, M.; Shekar, N.V. Chandra; Babu, R.; Sahu, P. Ch.; Sinha, A.K.; Upadhyay, Anuj; Singh, M.N.; Babu, K. Ramesh; Appalakondaiah, S.; Vaitheeswaran, G.; Kanchana, V.

    2015-01-01

    High pressure structural stability studies were carried out on YGa 2 (AlB 2 type structure at NTP, space group P6/mmm) up to a pressure of ~35 GPa using both laboratory based rotating anode and synchrotron X-ray sources. An isostructural transition with reduced c/a ratio, was observed at ~6 GPa and above ~17.5 GPa, the compound transformed to orthorhombic structure. Bulk modulus B 0 for the parent and high pressure phases were estimated using Birch–Murnaghan and modified Birch–Murnaghan equation of state. Electronic structure calculations based on projector augmented wave method confirms the experimentally observed two high pressure structural transitions. The calculations also reveal that the ‘Ga’ networks remains as two dimensional in the high pressure isostructural phase, whereas the orthorhombic phase involves three dimensional networks of ‘Ga’ atoms interconnected by strong covalent bonds. - Graphical abstract: High pressure X-ray diffraction patterns of YGa 2 up to ~35 GPa shows an isostructural phase transition at ~5 GPa and transition to an orthorhombic structure ~14 GPa. - Highlights: • High pressure structural stability studies were carried out on YGa 2 up to 35 GPa. • An isostructural transition with reduced c/a ratio was observed above 6 GPa. • Above 17.5 GPa, the compound transformed to orthorhombic structure. • PAW based electronic structure calculations have been carried out. • Calculations confirm the experimentally observed structural transitions

  20. High-pressure synchrotron x-ray diffraction and infrared microspectroscopy: applications to dense hydrous phases

    CERN Document Server

    Liu, Z; Yang, H; Mao Ho Kwang; Hemley, R J

    2002-01-01

    Synchrotron x-ray diffraction (XRD) and infrared (IR) absorption spectra of hydrous and 'anhydrous' forms of phase X were measured to 30 GPa at room temperature. Three OH stretching modes were found in the hydrous phase, and surprisingly one sharp OH mode was observed in the previously characterized anhydrous phase. All OH stretching modes soften and broaden with increasing pressure and become very weak above approx 20 GPa. XRD indicates that the crystal structure remains stable up to 30 GPa. Combining IR absorption and XRD results, the behaviour is attributed to pressure-induced distortion of the Si sub 2 O sub 7 groups and disorder of the hydrogen atoms. The bulk moduli of the hydrous and 'anhydrous' phases are in the region of 74 GPa.

  1. Growth and high pressure studies of zirconium sulphoselenide ...

    Indian Academy of Sciences (India)

    Growth and high pressure studies of zirconium sulphoselenide single ... tance was monitored in a Bridgman opposed anvil set-up up to 8 GPa pressure to identify .... The optical band gaps of the as-grown crystals were obtained by optical ab-.

  2. Diffraction studies of order-disorder at high pressures and temperatures

    International Nuclear Information System (INIS)

    Parise, John B.; Antao, Sytle M.; Martin, Charles D.; Crichton, Wilson

    2005-01-01

    Recent developments at synchrotron X-ray beamlines now allow collection of data suitable for structure determination and Rietveld structure refinement at high pressures and temperatures on challenging materials. These include materials, such as dolomite (CaMg(CO 3 ) 2 ) that tends to calcine at high temperatures, and Fe-containing materials, such as the spinel MgFe 2 O 4 , which tend to undergo changes in oxidation state. Careful consideration of encapsulation along with the use of radial collimation produced powder diffraction patterns virtually free of parasitic scattering from the cell in the case of large volume high-pressure experiments. These features have been used to study a number of phase transitions, especially those where superior signal-to-noise discrimination is required to distinguish weak ordering reflections. The structures adopted by dolomite, and CaSO4, anhydrite, were determined from 298 to 1466 K at high pressures. Using laser-heated diamond-anvil cells to achieve simultaneous high pressure and temperature conditions, we have observed CaSO 4 undergo phase transitions to the monazite type and at highest pressure and temperature to crystallize in the barite-type structure. On cooling, the barite structure distorts, from an orthorhombic to a monoclinic lattice, to produce the AgMnO 4 -type structure.

  3. Aging study of boiling water reactor high pressure injection systems

    International Nuclear Information System (INIS)

    Conley, D.A.; Edson, J.L.; Fineman, C.F.

    1995-03-01

    The purpose of high pressure injection systems is to maintain an adequate coolant level in reactor pressure vessels, so that the fuel cladding temperature does not exceed 1,200 degrees C (2,200 degrees F), and to permit plant shutdown during a variety of design basis loss-of-coolant accidents. This report presents the results of a study on aging performed for high pressure injection systems of boiling water reactor plants in the United States. The purpose of the study was to identify and evaluate the effects of aging and the effectiveness of testing and maintenance in detecting and mitigating aging degradation. Guidelines from the United States Nuclear Regulatory Commission's Nuclear Plant Aging Research Program were used in performing the aging study. Review and analysis of the failures reported in databases such as Nuclear Power Experience, Licensee Event Reports, and the Nuclear Plant Reliability Data System, along with plant-specific maintenance records databases, are included in this report to provide the information required to identify aging stressors, failure modes, and failure causes. Several probabilistic risk assessments were reviewed to identify risk-significant components in high pressure injection systems. Testing, maintenance, specific safety issues, and codes and standards are also discussed

  4. Development of in situ Brillouin spectroscopy at high pressure and high temperature with synchrotron radiation and infrared laser heating system: Application to the Earth's deep interior

    Science.gov (United States)

    Murakami, Motohiko; Asahara, Yuki; Ohishi, Yasuo; Hirao, Naohisa; Hirose, Kei

    2009-05-01

    Seismic wave velocity profiles in the Earth provide one of the strongest constraints on structure, mineralogy and elastic properties of the Earth's deep interior. Accurate sound velocity data of deep Earth materials under relevant high-pressure and high-temperature conditions, therefore, are essential for interpretation of seismic data. Such information can be directly obtained from Brillouin scattering measurement. Here we describe an in situ Brillouin scattering system for measurements at high pressure and high temperature using a laser heated diamond anvil cell and synchrotron radiation for sample characterization. The system has been used with single-crystal and polycrystalline materials, and with glass and fluid phase. It provided high quality sound velocity and elastic data with X-ray diffraction data at high pressure and/or high temperature. Those combined techniques can potentially offer the essential information for resolving many remaining issues in mineral physics.

  5. Photoconductivity studies of the ferrocyanide ion under high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Finston, M. I.

    1979-01-01

    The photoaquation of the ferrocyanide ion was studied using a high-pressure photoconductivity apparatus and a steady-state high-pressure mercury lamp. The first-order photocurrent rise-time could be related to the relative quantum efficiency of the photoaquation process, while the dark decay of the photocurrent yielded a relative value of the bimolecular rate-constant for the reverse reaction. Kinetic measurements were carried out on dilute solutions of potassium ferrocyanide in pure water, and in 20% ethanol. The photocurrent yield in aqueous solution was dependent upon secondary chemical equilibria which were sensitive to pressure in a predictable way. In ethanolic solution, the dependence of photocurrent yield on pressure followed the variation of the reciprocal solvent vicosity. In both aqueous and alcoholic solution, the photoaquation quantum efficiency decreased exponentially with pressure, as did the biomolecular rate-constant for the dark reaction in aqueous solution. The pressure dependence of the bimolecular rate-constant in the alcoholic solution indicated a diffusion-limited process. The pressure dependence of the photoaquation quantum yield, and of the bimolecular rate-constant in aqueous solution, was interpreted in terms of an activation volume model. The photoaquation data for both the aqueous and the alcoholic solutions agreed with a hypothetical mechanism whereby ligand-to-metal bond-breaking, and solvent-to-metal bond-formation, are effectively simultaneous. The results for the aqueous dark reaction strongly indicated breaking of the solvent-to-metal bond as the rate-limiting step.

  6. High-Pressure Oxygen Generation for Outpost EVA Study

    Science.gov (United States)

    Jeng, Frank F.; Conger, Bruce; Ewert, Michael K.; Anderson, Molly S.

    2009-01-01

    The amount of oxygen consumption for crew extravehicular activity (EVA) in future lunar exploration missions will be significant. Eight technologies to provide high pressure EVA O2 were investigated. They are: high pressure O2 storage, liquid oxygen (LOX) storage followed by vaporization, scavenging LOX from Lander followed by vaporization, LOX delivery followed by sorption compression, water electrolysis followed by compression, stand-alone high pressure water electrolyzer, Environmental Control and Life Support System (ECLSS) and Power Elements sharing a high pressure water electrolyzer, and ECLSS and In-Situ Resource Utilization (ISRU) Elements sharing a high pressure electrolyzer. A trade analysis was conducted comparing launch mass and equivalent system mass (ESM) of the eight technologies in open and closed ECLSS architectures. Technologies considered appropriate for the two architectures were selected and suggested for development.

  7. NATO Advanced Study Institute on High-Pressure Crystallography

    CERN Document Server

    Boldyreva, Elena; High-Pressure Crystallography

    2010-01-01

    This book is devoted to the theme of crystallographic studies at high pressure, with emphasis on the phenomena characteristic to the compressed state of matter, as well as experimental and theoretical techniques used to study these phenomena. As a thermodynamic parameter, pressure is remarkable in many ways. In the visible universe its value spans over sixty orders of magnitude, from the non-equilibrium pressure of hydrogen in intergalactic space, to the kind of pressure encountered within neutron stars. In the laboratory, it provides the unique possibility to control the structure and properties of materials, to dramatically alter electronic properties, and to break existing, or form new chemical bonds. This agenda naturally encompasses elements of physics (properties, structure and transformations), chemistry (reactions, transport), materials science (new materials) and engineering (mechanical properties); in addition it has direct applications and implications for geology (minerals in deep Earth environmen...

  8. High-pressure structural study of yttrium monochalcogenides from experiment and theory

    DEFF Research Database (Denmark)

    Vaitheeswaran, G.; Kanchana, V.; Svane, A.

    2011-01-01

    High-pressure powder x-ray diffraction experiments using synchrotron radiation are performed on the yttrium monochalcogenides YS, YSe, and YTe up to a maximum pressure of 23 GPa. The ambient NaCl structure is stable throughout the pressure range covered. The bulk moduli are determined to be 93, 82...

  9. Determination of the bulk modulus of hydroxycancrinite, a possible zeolitic precursor in geopolymers, by high-pressure synchrotron X-ray diffraction

    KAUST Repository

    Oh, Jae Eun

    2011-11-01

    Crystalline zeolitic materials, such as hydroxycancrinite, hydroxysodalite, herschelite and nepheline, are often synthesized from geopolymerization using fly-ash and solutions of NaOH at high temperatures. Comprised mainly of 6-membered aluminosilicate rings that act as basic building units, their crystal structures may provide insight into the reaction products formed in NaOH-activated fly ash-based geopolymers. Recent research indicates that the hydroxycancrinite and hydroxysodalite may play an important role as possible analogues of zeolitic precursor in geopolymers. Herein is reported a high pressure synchrotron study of the behavior of hydroxycancrinite exposed to pressures up to 6.1 GPa in order to obtain its bulk modulus. A refined equation of state for hydroxycancrinite yielded a bulk modulus of Ko = 46 ± 5 GPa (assuming Ko′ = 4.0) for a broad range of applied pressure. When low pressure values are excluded from the fit and only the range of 2.5 and 6.1 GPa is considered, the bulk modulus of hydroxycancrinite was found to be Ko = 46.9 ± 0.9 GPa (Ko′ = 4.0 ± 0.4, calculated). Comparison with the literature shows that all zeolitic materials possessing single 6-membered rings (i.e., hydroxycancrinite, sodalite and nepheline) have similar bulk moduli. © 2011 Elsevier Ltd. All rights reserved.

  10. High pressure and high temperature EXAFS and diffraction study of AgI

    International Nuclear Information System (INIS)

    Yoshiasa, Akira; Arima, Hiroshi; Fukui, Hiroshi; Okube, Maki; Katayama, Yoshinori; Ohtaka, Osamu

    2009-01-01

    We have determined the precise P-T phase diagram of AgI by in-situ high-pressure high-temperature synchrotron experiments. X-ray diffraction and XAFS measurements were performed up to 6.0 GPa and 1100 K using a multi-anvil high-pressure device and synchrotron radiation from SPring-8. In the disordered rock-salt phase, Ag ions occupy both octahedral and tetrahedral sites and twenty percent of Ag ions occupy the tetrahedral site as a maximum value at 2 GPa. From the viewpoint of the local structure analyses, some sudden changes are recognized near broad phase transition point. Analysis of EXAFS Debye-Waller factor is useful because the force constant can be decided directly even at high pressure and high temperature. Pressure influences greatly the effective potential and anharmonicity decreases with increasing pressure. (author)

  11. High pressure in-situ X-ray diffraction study on Zn-doped magnetite nanoparticles

    Science.gov (United States)

    Ferrari, S.; Bilovol, V.; Pampillo, L. G.; Grinblat, F.; Errandonea, D.

    2018-03-01

    We have performed high pressure synchrotron X-ray powder diffraction experiments on two different samples of Zn-doped magnetite nanoparticles (formula Fe(3-x)ZnxO4; x = 0.2, 0.5). The structural behavior of then a noparticles was studied up to 13.5 GPa for x = 0.2, and up to 17.4 GPa for x = 0.5. We have found that both systems remain in the cubic spinel structure as expected for this range of applied pressures. The analysis of the unit cell volume vs. pressure results in bulk modulus values lower than in both end-members, magnetite (Fe3O4) and zinc ferrite (ZnFe2O4), suggesting that chemical disorder may favor compressibility, which is expected to improve the increase of the Neel temperature under compression.

  12. Thermal neutron scattering studies of condensed matter under high pressures

    International Nuclear Information System (INIS)

    Carlile, C.J.; Salter, D.C.

    1978-01-01

    Although temperature has been used as a thermodynamic variable for samples in thermal neutron scattering experiments since the inception of the neutron technique, it is only in the last decade that high pressures have been utilised for this purpose. In the paper the problems particular to this field of work are outlined and a review is made of the types of high-pressure cells used and the scientific results obtained from the experiments. 103 references. (author)

  13. Experimental issues in in-situ synchrotron x-ray diffraction at high pressure and temperature by using a laser-heated diamond-anvil cell

    International Nuclear Information System (INIS)

    Yoo, C.S.

    1997-01-01

    An integrated technique of diamond-anvil cell, laser-heating and synchrotron x-ray diffraction technologies is capable of structural investigation of condensed matter in an extended region of high pressures and temperatures above 100 GPa and 3000 K. The feasibility of this technique to obtain reliable data, however, strongly depends on several experimental issues, including optical and x-ray setups, thermal gradients, pressure homogeneity, preferred orientation, and chemical reaction. In this paper, we discuss about these experimental issues together with future perspectives of this technique for obtaining accurate data

  14. Experimental studies on radiation effects under high pressure oxygen

    Energy Technology Data Exchange (ETDEWEB)

    Fujimura, E [Osaka Univ. (Japan). School of Dentistry

    1974-06-01

    The effect of oxygen tension on the radiosensitivity of tumor cells is well known, but its clinical application for radiotherapy is not yet established. Rabbits with V x 2 carcinoma in the maxilla were irradiated by /sup 60/Co under high pressure oxygen (experimental group), and compared with those treated in air (control group). For the purpose of examining the clinical effects of high pressure oxygen, an experiment was made in vivo. The following items were compared respectively: a) Tumor regression effect b) Tumor clearance rate c) Survival days d) Half size reduction time e) Inhibition of DNA synthesis in the tumor tissue. Results obtained were as follows: a) 56 per cent of animals showed tumor regression in the experimental group, whereas it occured 26 per cent in the control group. b) 53 per cent of animals showed tumor disappearance in the experimental group, while it was observed only in 13 per cent in the control group. c) Only 2 of 30 rabbits irradiated in air survived over 180 days, whereas 11 of 30 rabbits survived meanwhile in the group irradiated under high pressure oxygen. d) About 11 days were necessary to reduce the tumor size by half after irradiation in the group under high pressure oxygen, while it took 17 days in the group treated in normal air. e) DNA synthesis was inhibited more prominently in the group irradiated under high pressure oxygen in normal air.

  15. A high pressure x-ray diffraction study of titanium disulfide

    International Nuclear Information System (INIS)

    Aksoy, Resul; Selvi, Emre; Knudson, Russell; Ma Yanzhang

    2009-01-01

    A high pressure angle dispersive synchrotron x-ray diffraction study of titanium disulfide (TiS 2 ) was carried out to pressures of 45.5 GPa in a diamond-anvil cell. We observed a phase transformation of TiS 2 beginning at about 20.7 GPa. The structure of the high pressure phase needs further identification. By fitting the pressure-volume data to the third-order Birch-Murnaghan equation of state, the bulk modulus, K 0T , was determined to be 45.9 ± 0.7 GPa with its pressure derivative, K' 0T , being 9.5 ± 0.3 at pressures lower than 17.8 GPa. It was found that the compression behavior of TiS 2 is anisotropic along the different axes. The compression ratio of the c-axis is about nine times larger than the a-axis when pressures are lower than 1 GPa. It suddenly decreases to three times larger at pressures of about 3 GPa. This ratio shows a linear decrease with a slope of negative 0.048 at pressures below phase transformation.

  16. High pressure studies of fluorenone emission in plastic media

    International Nuclear Information System (INIS)

    Mitchell, D.J.; Schuster, G.B.; Drickamer, H.G.

    1977-01-01

    The energy and the quantum efficiency for fluorenone fluorescence in the crystalline state and in polymeric matrices was measured as a function of external pressure over the range 0--140 kbar. The application of high pressure induces changes in the quantum yield, which ranges from 0.001 at low pressure to a maximum of approx.0.1 at high pressure in hydrocarbon plastics. These results are interpreted as arising from the decrease in the energy of the lowest ππ excited singlet state relative to other relevant states as the external pressure is increased

  17. High pressure study of a highly energetic nitrogen-rich carbon nitride, cyanuric triazide

    Energy Technology Data Exchange (ETDEWEB)

    Laniel, Dominique; Desgreniers, Serge [Laboratoire de physique des solides denses, University of Ottawa, Ottawa, Ontario K1N 6N5 (Canada); Downie, Laura E. [Department of Physics and Atmospheric Science, Dalhousie University, Halifax, Nova Scotia B3H 4R2 (Canada); Smith, Jesse S. [High Pressure Collaborative Access Team, Carnegie Institution of Washington, Argonne, Illinois 60439 (United States); Savard, Didier; Murugesu, Muralee [Department of Chemistry, University of Ottawa, Ottawa, Ontario K1N 6N5 (Canada)

    2014-12-21

    Cyanuric triazide (CTA), a nitrogen-rich energetic material, was compressed in a diamond anvil cell up to 63.2 GPa. Samples were characterized by x-ray diffraction, Raman, and infrared spectroscopy. A phase transition occurring between 29.8 and 30.7 GPa was found by all three techniques. The bulk modulus and its pressure derivative of the low pressure phase were determined by fitting the 300 K isothermal compression data to the Birch-Murnaghan equation of state. Due to the strong photosensitivity of CTA, synchrotron generated x-rays and visible laser radiation both lead to the progressive conversion of CTA into a two dimensional amorphous C=N network, starting from 9.2 GPa. As a result of the conversion, increasingly weak and broad x-ray diffraction lines were recorded from crystalline CTA as a function of pressure. Hence, a definite structure could not be obtained for the high pressure phase of CTA. Results from infrared spectroscopy carried out to 40.5 GPa suggest the high pressure formation of a lattice built of tri-tetrazole molecular units. The decompression study showed stability of the high pressure phase down to 13.9 GPa. Finally, two CTA samples, one loaded with neon and the other with nitrogen, used as pressure transmitting media, were laser-heated to approximately 1100 K and 1500 K while compressed at 37.7 GPa and 42.0 GPa, respectively. In both cases CTA decomposed resulting in amorphous compounds, as recovered at ambient conditions.

  18. High Pressure X-Ray Diffraction Studies on Nanocrystalline Materials

    Science.gov (United States)

    Palosz, B.; Stelmakh, S.; Grzanka, E.; Gierlotka, S.; Pielaszek, R.; Bismayer, U.; Werner, S.; Palosz, W.

    2003-01-01

    Application of in situ high pressure powder diffraction technique for examination of specific structural properties of nanocrystals based on the experimental data of SiC nanocrystalline powders of 2 to 30 nrn diameter in diameter is presented. Limitations and capabilities of the experimental techniques themselves and methods of diffraction data elaboration applied to nanocrystals with very small dimensions (nanoparticles of different grain size.

  19. Studies on synthesis of diamond at high pressure and temperature

    Science.gov (United States)

    Kailath, Ansu J.

    chapter is a general introduction incorporating the information regarding diamond together with a brief history of diamond synthesis. It also includes the details of the high pressure synthesis of diamond, the uses of diamond grits, the advantages of the synthetic diamond grit over natural grit and an outline to elucidate the reasons which prompted to undertake the present work. The details of the technique used in the present studies for synthesis of diamond grits by high-pressure high-temperature process are included in chapter II. The hydraulic press used for synthesis, the details of the reactant materials, stacking of the high pressure cell and the details of synthesis run have been described together with the separation procedure to isolate diamond grits from the frozen slug. Different analytical and characterization techniques used in the present studies for the analysis and characterization of the reactant materials, synthesized diamonds and the crystallization medium have been illustrated in chapter III. The effect of different synthesizing parameters on synthesized diamond crystals were studied. This study includes: (a) dependence of yield of diamond on temperature and pressure, (b) dependence of crystal size on cook length, (c) effect of variation of the relative amounts of carbonaceous material and catalyst on synthesis, (d) morphological variation and (e) effect of pressure pulse on synthesized crystals. Various observations made during this study and the results obtained have been compiled in chapter IV. The synthesized diamond crystals were characterized by X-ray Powder Diffraction (XRD), Raman Spectroscopy, Scanning Electron Microscopy (SEM) and Optical Microscopy. The results obtained have been compiled in chapter V. In addition to these, the results obtained from the Infrared Spectra and the Electron Paramagnetic Spectra have also been included. Studies of crystallization medium and inclusions in the synthesized diamonds were carried out. This include

  20. High-pressure structural behavior of the double perovskite Sr2CrReO6: an experimental and theoretical study

    DEFF Research Database (Denmark)

    Olsen, J.S.; Gerward, Leif; Vaitheeswaran, G.

    2009-01-01

    The high-pressure structural behavior of Sr2CrReO6 has been studied experimentally using synchrotron radiation and the diamond anvil cell and theoretically using density functional theory. The experimental zero-pressure bulk modulus is B0=1704GPa and the pressure derivative is B0'=4.71.0. These r...

  1. High pressure apparatus transport properties study in high magnetic field

    Czech Academy of Sciences Publication Activity Database

    Honda, F.; Sechovský, V.; Mikulina, O.; Kamarád, Jiří; Alsmadi, A. M.; Nakotte, H.; Lacerda, A. H.

    2002-01-01

    Roč. 16, 20, 21 & 22 (2002), s. 3330-3333 ISSN 0217-9792 R&D Projects: GA ČR GP202/01/D045; GA ČR GA202/00/1217; GA MŠk ME 165 Grant - others:NSF(XX) DMR-0094241 Institutional research plan: CEZ:AV0Z1010914 Keywords : high-pressure apparatus Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.604, year: 2002

  2. High pressure dielectric studies on the structural and orientational glass.

    Science.gov (United States)

    Kaminska, E; Tarnacka, M; Jurkiewicz, K; Kaminski, K; Paluch, M

    2016-02-07

    High pressure dielectric studies on the H-bonded liquid D-glucose and Orientationally Disordered Crystal (ODIC) 1,6-anhydro-D-glucose (levoglucosan) were carried out. It was shown that in both compounds, the structural relaxation is weakly sensitive to compression. It is well reflected in the low pressure coefficient of the glass transition and orientational glass transition temperatures which is equal to 60 K/GPa for both D-glucose and 1,6-anhydro-D-glucose. Although it should be noted that ∂Tg(0)/∂p evaluated for the latter compound seems to be enormously high with respect to other systems forming ODIC phase. We also found that the shape of the α-loss peak stays constant for the given relaxation time independently on the thermodynamic condition. Consequently, the Time Temperature Pressure (TTP) rule is satisfied. This experimental finding seems to be quite intriguing since the TTP rule was shown to work well in the van der Waals liquids, while in the strongly associating compounds, it is very often violated. We have also demonstrated that the sensitivity of the structural relaxation process to the temperature change measured by the steepness index (mp) drops with pressure. Interestingly, this change is much more significant in the case of D-glucose with respect to levoglucosan, where the fragility changes only slightly with compression. Finally, kinetics of ODIC-crystal phase transition was studied at high compression. It is worth mentioning that in the recent paper, Tombari and Johari [J. Chem. Phys. 142, 104501 (2015)] have shown that ODIC phase in 1,6-anhydro-D-glucose is stable in the wide range of temperatures and there is no tendency to form more ordered phase at ambient pressure. On the other hand, our isochronal measurements performed at varying thermodynamic conditions indicated unquestionably that the application of pressure favors solid (ODIC)-solid (crystal) transition in 1,6-anhydro-D-glucose. This result mimics the impact of pressure on the

  3. High pressure structural studies on nanophase praseodymium oxide

    International Nuclear Information System (INIS)

    Saranya, L.; Chandra Shekar, N.V.; Amirthapandian, S.; Hussain, Shamima; Arulraj, A.; Sahu, P. Ch.

    2014-01-01

    The phase stability of nanocrystalline Pr 2 O 3 has been investigated under pressure by in-situ high pressure X-ray diffraction using Mao-Bell type diamond anvil cell. The ambient structure and phase of the praseodymium oxide have been resolved unambiguously using x-ray diffraction, SEM and TEM techniques. Under the action of pressure the cubic phase of the system is retained up to 15 GPa. This is unusual as other isostructural rare earth oxides show structural transformations even at lower pressures. From the best fit to the P–V data with the Murnaghan equation of state yields a bulk modulus of 171 GPa

  4. System Study: High-Pressure Safety Injection 1998-2014

    Energy Technology Data Exchange (ETDEWEB)

    Schroeder, John Alton [Idaho National Lab. (INL), Idaho Falls, ID (United States). Risk Assessment and Management Services Dept.

    2015-12-01

    This report presents an unreliability evaluation of the high-pressure safety injection system (HPSI) at 69 U.S. commercial nuclear power plants. Demand, run hours, and failure data from fiscal year 1998 through 2014 for selected components were obtained from the Institute of Nuclear Power Operations (INPO) Consolidated Events Database (ICES). The unreliability results are trended for the most recent 10 year period, while yearly estimates for system unreliability are provided for the entire active period. No statistically significant increasing or decreasing trends were identified in the HPSI results.

  5. High pressure structural studies on nanophase praseodymium oxide

    Energy Technology Data Exchange (ETDEWEB)

    Saranya, L. [Jamal Mohamed College, Tiruchirapalli 620020, Tamil Nadu (India); Chandra Shekar, N.V., E-mail: chandru@igcar.gov.in [Condensed Matter Physics Division, Materials Science Group, Indira Gandhi Centre for Atomic Research, Kalpakkam 603102, Tamil Nadu (India); Amirthapandian, S. [Materials Physics Division, Materials Science Group, Indira Gandhi Centre for Atomic Research, Kalpakkam 603102, Tamil Nadu (India); Hussain, Shamima [UGC-DAE-CSR node, Kokilamedu 603103, Tamil Nadu (India); Arulraj, A.; Sahu, P. Ch. [Condensed Matter Physics Division, Materials Science Group, Indira Gandhi Centre for Atomic Research, Kalpakkam 603102, Tamil Nadu (India)

    2014-09-15

    The phase stability of nanocrystalline Pr{sub 2}O{sub 3} has been investigated under pressure by in-situ high pressure X-ray diffraction using Mao-Bell type diamond anvil cell. The ambient structure and phase of the praseodymium oxide have been resolved unambiguously using x-ray diffraction, SEM and TEM techniques. Under the action of pressure the cubic phase of the system is retained up to 15 GPa. This is unusual as other isostructural rare earth oxides show structural transformations even at lower pressures. From the best fit to the P–V data with the Murnaghan equation of state yields a bulk modulus of 171 GPa.

  6. High Pressure Low Temperature X-Ray Diffraction Studies of UO2 and UN single crystals.

    Science.gov (United States)

    Antonio, Daniel; Mast, Daniel; Lavina, Barbara; Gofryk, Krzysztof

    Uranium dioxide is the most commonly used nuclear fuel material in commercial reactors, while uranium nitride also has many thermal and physical properties that make it attractive for potential use in reactors. Both have a cubic fcc lattice structure at ambient conditions and transition to antiferromagnetic order at low temperature. UO2 is a Mott insulator that orders in a complex non-collinear 3k magnetic structure at about 30 K, while UN has appreciable conductivity and orders in a simpler 1k magnetic structure below 52 K. Both compounds are characterized by strong magneto-structural interactions, understanding of which is vital for modeling their thermo-physical properties. While UO2 and UN have been extensively studied at and above room temperature, little work has been done to directly study the structure of these materials at low temperatures where magnetic interactions are dominant. In the course of our systematic studies on magneto vibrational behavior of UO2 and UN, here we present our recent results of high pressure X-Ray Diffraction (up to 35 GPa) measured below the Neel temperature using synchrotron radiation. Work supported by the Department of Energy, Office of Basic Energy Sciences, Materials Sciences, and Engineering Division.

  7. Experimental and theoretical studies on the high pressure vessel

    International Nuclear Information System (INIS)

    So, Dong Sup

    1992-02-01

    A High Pressure Melt Ejection (HPME) is one of the most important phenomena relevant to Direct Containment Heating(DCH) which could lead to an early containment failure in a several accident of PWRs. Dispersal of core debris following a postulated high pressure failure of PWR reactor vessel has been investigated by experimental works and one-dimensional computer modeling to find the relation between the fraction of melt simulant retained in the cavity and the reactor vessel initial conditions as well as to examine the hydrodynamic processes in a reactor cavity geometry. Simulated HPME experiments have been performed with two small-scale (1/25-th and 1/41-st) transparent reactor cavity models of the Young-Gwang unit 1 and 2. Wood's metal and water have been used as melt sumulants while high pressure nitrogen and carbon dioxide have been used as driver gases to simulate the blowdown steam and gas from the breach of the reactor pressure vessel. The high speed movies of the transient tests showed that no fraction of the melt simulant exits the cavity model via the vertical cavity tunnel under its own momentum, and that the discharged simulant from the pressure vessel exits the reactor cavity model during the gas blowdown. The principal removal mechanism seemed to be a combined mechanism of film entrainment and particle levitation due to the driving force of the blowdown gas. Experimental data for the fraction of melt simulant retained in the cavity model (Y f ) during a postulated scenario of the HPME from PWR pressure vessels have been obtained as a function of various test parameters. These data have been used to develop a correlation for Y f that fits all the data (a total of 313 data points) within the standard deviation of 0.054 by means of dimensional analysis and nonlinear least squares optimization technique. The basic effects of important parameters used to describe the HPME accident sequence on the Y f are determined based on the correlation obtained here and

  8. High-pressure Moessbauer study of perovskite iron oxides

    CERN Document Server

    Kawakami, T; Sasaki, T; Kuzushita, K; Morimoto, S; Endo, S; Kawasaki, S; Takano, M

    2002-01-01

    The perovskite oxides CaFeO sub 3 and La sub 1 sub / sub 3 Sr sub 2 sub / sub 3 FeO sub 3 have been investigated by high-pressure sup 5 sup 7 Fe Moessbauer spectroscopy. The critical temperatures of the charge disproportionation (CD) and the magnetic order (MO) have been determined as a function of pressure. In CaFeO sub 3 the CD (2Fe sup 4 sup + -> Fe sup 3 sup + + Fe sup 5 sup +) occurs at an almost constant temperature of 290 K in the pressure range of 0-17 GPa. Above 20 GPa, the CD is suppressed. The MO temperature of 125 K at an ambient pressure rises to 300 K at 34 GPa. In La sub 1 sub / sub 3 Sr sub 2 sub / sub 3 FeO sub 3 the CD (3Fe sup 1 sup 1 sup / sup 3 sup + -> 2Fe sup 3 sup + + Fe sup 5 sup +) and the MO occur at the same temperature up to 21 GPa, which decreases from 207 to 165 K with increasing pressure. Above 25 GPa, however, the MO temperature rises above 400 K.

  9. In Situ Raman Study of Liquid Water at High Pressure.

    Science.gov (United States)

    Romanenko, Alexandr V; Rashchenko, Sergey V; Goryainov, Sergey V; Likhacheva, Anna Yu; Korsakov, Andrey V

    2018-06-01

    A pressure shift of Raman band of liquid water (H 2 O) may be an important tool for measuring residual pressures in mineral inclusions, in situ barometry in high-pressure cells, and as an indicator of pressure-induced structural transitions in H 2 O. However, there was no consensus as to how the broad and asymmetric water Raman band should be quantitatively described, which has led to fundamental inconsistencies between reported data. In order to overcome this issue, we measured Raman spectra of H 2 O in situ up to 1.2 GPa using a diamond anvil cell, and use them to test different approaches proposed for the description of the water Raman band. We found that the most physically meaningful description of water Raman band is the decomposition into a linear background and three Gaussian components, associated with differently H-bonded H 2 O molecules. Two of these components demonstrate a pronounced anomaly in pressure shift near 0.4 GPa, supporting ideas of structural transition in H 2 O at this pressure. The most convenient approach for pressure calibration is the use of "a linear background + one Gaussian" decomposition (the pressure can be measured using the formula P (GPa) = -0.0317(3)·Δν G (cm -1 ), where Δν G represents the difference between the position of water Raman band, fitted as a single Gaussian, in measured spectrum and spectrum at ambient pressure).

  10. Synthesis and Structural Study of Sr2CuO3+δ Superconductor under High Pressure

    International Nuclear Information System (INIS)

    Qing-Qing, Liu; Fu-Ren, Wang; Feng-Ying, Li; Liang-Chen, Chen; Ri-Cheng, Yu; Chang-Qing, Jin; Yan-Chun, Li; Jing, Liu

    2008-01-01

    A single-phase Sr 2 CuO 3+δ superconductor is synthesized under high temperature and high pressure, in which oxygen atoms only partially occupy the apical sites next to the CuO 2 planes and act as hole-dopants. The superconducting transition temperature with T c max = 75 K is achieved in the material. Structure analysis from x-ray powder diffraction data show that this material crystallizes into a K 2 NiF 4 structure with tetragonal unit cell of a = 3. 795(3) Å and c = 12. 507(1) Å. Energy-dispersive synchrotron x-ray-diffraction studies at ambient are performed on powder samples of Sr 2 CuO 3+δ in a diamond-anvil cell at pressure up to 35 GPa. Anisotropic compressibility is found. Pressure-induced isostructural phase transition might exist as revealed by the discontinuous change of crystal cell volume V with pressure. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

  11. High-pressure X-ray diffraction studies of potassium chlorate

    Energy Technology Data Exchange (ETDEWEB)

    Pravica, Michael; Bai, Ligang; Bhattacharya, Neelanjan (UNLV)

    2012-03-15

    Two static high-pressure X-ray diffraction (XRD) studies of potassium chlorate have been performed at pressures of up to {approx}14.3 GPa in a diamond anvil cell at ambient temperature using the 16 ID-B undulator beamline at the Advanced Photon Source for the X-ray source. The first experiment was conducted to ascertain decomposition rates of potassium chlorate as a function of pressure. Below 2 GPa, the sample was observed to decompose rapidly in the presence of the X-ray beam and release oxygen. Above 2 GPa (near the phase I phase II transition), the decomposition rate dramatically slowed so that good quality XRD patterns could be acquired. This suggests a phase-dependent decomposition rate. In the second study, X-ray diffraction spectra were collected at pressures from 2 to 14.3 GPa by aligning virgin portions of the sample into the focused X-ray beam at each pressure. The results suggest the co-existence of mixed monoclinic (I) and rhombohedral (II) phases of potassium chlorate near 2 GPa. At pressures beyond 4 GPa, the XRD patterns show a very good fit to KClO{sub 3} in the rhombohedral phase with space group R3m, in agreement with earlier studies. No further phase transitions were observed with pressure. Decompression of the sample to ambient pressure indicated mixed phases I and II coupled with a small amount of synchrotron X-ray-induced decomposition product. The equation of state within this pressure regime has been determined.

  12. High pressure studies of ionic conductivity in solids

    International Nuclear Information System (INIS)

    Samara, G.A.

    1979-01-01

    The pressure dependence of the ionic conductivity provides information about the volume relaxation associated with the formation of lattice defects as well as with the diffusive motion of these defects, and thereby helps elucidate the conduction process. Pressure results on a variety of crystals will be discussed with emphasis on recent results on crystals with large lattice polarizabilities and soft phonon modes. Pressure is shown to be an important--sometimes essential, variable in the study of ionic transport processes

  13. Study of the melting of simple substances under high pressures

    International Nuclear Information System (INIS)

    Stishov, S.M.

    Results of studies on the thermodynamic properties of Ar, Na, and Cs are reported. The main laws governing the thermodynamics of melting of these elements were established. Experimental P-V-T data were obtained characterizing the equations of state for the liquid and solid phases of argon, sodium, and cesium at pressures up to 17 x 10 3 kg/cm 2 (Ar), 22 x 10 3 kg/cm 2 (Na,Cs), and temperatures up to 75 0 C (Ar), 220 0 C (Na), and 200 0 C (Cs). Thermodynamic functions and their derivatives were calculated for the liquid and solid phases of these elements using empirical equations of state approximating the experimental P-V-T data with good accuracy

  14. Thermal versus high pressure processing of carrots: A comparative pilot-scale study on equivalent basis

    NARCIS (Netherlands)

    Vervoort, L.; Plancken, Van der L.; Grauwet, T.; Verlinde, P.; Matser, A.M.; Hendrickx, M.; Loey, van A.

    2012-01-01

    This report describes the first study comparing different high pressure (HP) and thermal treatments at intensities ranging from mild pasteurization to sterilization conditions. To allow a fair comparison, the processing conditions were selected based on the principles of equivalence. Moreover,

  15. Light source for synchrotron radiation x-ray topography study at Beijing Synchrotron Radiation Laboratory (BSRL)

    International Nuclear Information System (INIS)

    Zhao Jiyong; Jiang Jianhua; Tian Yulian

    1992-01-01

    Characteristics of the synchrotron radiation source for X-ray topography study at Beijing Synchrotron Radiation Laboratory (BSRL) is described, local geometrical resolution of topographies is discussed, and the diffracting intensities of white beam topography is given

  16. Self-contained high-pressure chambers for study on the Moessbauer effect at low temperatures

    International Nuclear Information System (INIS)

    Stepanov, G.N.

    1980-01-01

    Designs of two high-pressure chambers intended for studying the Moessbauer effect at low temperatures are described. The high-pressure chamber of the Bridgman anvil type is made of non magnetic materials and intended for operation at helium temperatures. The chamber employs a superconducting pressure gage. A sample and superconducting pressure gage are surrounded with a liquid medium of a high pressure at a room temperature. Measurements of the pressure were taken during heating the chamber in the vapours of liquid helium according to the known dependence of the lead superconducting transition temperature on pressure. The other high-pressure chamber of the piston-to-cylinder type can be used to study the Moessbauer effect at temperatures ranging from 4 to 300 K. Pressure in the chamber is measured by means of the superconducting pressure gage. The maximum pressure obtained in the chamber constitutes 25 kbar

  17. High-pressure electron-resonance studies of electronic, magnetic, and structural phase transitions. Progress report

    International Nuclear Information System (INIS)

    Pifer, J.H.; Croft, M.C.

    1983-01-01

    Research is described in development of a high-pressure electron-resonance probe capable of operating down to 1.5 0 K temperatures. The apparatus has been used to measure the EPR of a sample of DPPH at room temperature and zero pressure. EPR has been used to measure valence field instabilities in alloy systems. Studies have been done on metal-insulator transitions at high pressure, and are briefly described

  18. X-ray diffraction study of WO3 at high pressure

    International Nuclear Information System (INIS)

    Bouvier, P.; Crichton, W.A.; Boulova, M.; Lucazeau, G.

    2002-01-01

    The high-pressure behaviour of microcrystalline tungsten oxide (WO 3 ) has been investigated with angle-dispersive synchrotron x-ray powder diffraction in a diamond anvil cell up to 40 GPa at room temperature. Up to 21 GPa, the pressure dependence of the volume of the monoclinic high-pressure (P2 1 /c) phase is described by a third-order Birch-Murnaghan equation of state with parameters V 0 =210.9(7)A 3 , K T =27(2)GP a and K'=9.4(5). At 24 GPa, a first-order phase transition occurs with an approximate Δ V of 7.4% to a monoclinic P2 1 /a unit cell with a=6.1669(8)A, b=4.5758(6)A, c=5.3159(6)A, β=101.440(9) deg. A second transition is observed at pressures higher than 31 GPa with an approximate Δ V of 12% to a phase described by a third monoclinic unit cell, with a=10.3633(22)A, b=3.9065(8)A, c=9.3459(18)A and β=98.539(14) deg. (author)

  19. X-ray diffraction study of WO{sub 3} at high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Bouvier, P. [ESRF, Grenoble (France); Laboratoire d' Electrochimie et de Physico-Chimie des Materiaux et des Interfaces UMR 5631 CNRS-INPG, St. Martin d' Heres (France); Crichton, W.A. [ESRF, Grenoble (France); Boulova, M. [Laboratoire d' Electrochimie et de Physico-Chimie des Materiaux et des Interfaces UMR 5631 CNRS-INPG, St. Martin d' Heres (France); Chemistry Department, Moscow State University, Moscow (Russian Federation); Lucazeau, G. [Laboratoire d' Electrochimie et de Physico-Chimie des Materiaux et des Interfaces UMR 5631 CNRS-INPG, St. Martin d' Heres (France)

    2002-07-08

    The high-pressure behaviour of microcrystalline tungsten oxide (WO{sub 3}) has been investigated with angle-dispersive synchrotron x-ray powder diffraction in a diamond anvil cell up to 40 GPa at room temperature. Up to 21 GPa, the pressure dependence of the volume of the monoclinic high-pressure (P2{sub 1}/c) phase is described by a third-order Birch-Murnaghan equation of state with parameters V{sub 0}=210.9(7)A{sup 3}, K{sub T}=27(2)GP a and K'=9.4(5). At 24 GPa, a first-order phase transition occurs with an approximate {delta} V of 7.4% to a monoclinic P2{sub 1}/a unit cell with a=6.1669(8)A, b=4.5758(6)A, c=5.3159(6)A, {beta}=101.440(9) deg. A second transition is observed at pressures higher than 31 GPa with an approximate {delta} V of 12% to a phase described by a third monoclinic unit cell, with a=10.3633(22)A, b=3.9065(8)A, c=9.3459(18)A and {beta}=98.539(14) deg. (author)

  20. An Inexpensive High Pressure Optical Absorption Cell for IR-VIS-UV Studies.

    Science.gov (United States)

    Rodgers, V. E.; Angell, C. A.

    1983-01-01

    Describes an optical cell, suitable for high-pressure studies between at least -130 and +150 degrees Celsius, which may be assembled for about $50. Discusses experimental demonstration of principles involved when using the apparatus, including effects of pressure on coordination of ions in solution and on reaction rates in solution. (JN)

  1. High Pressure X-ray Absorption Studies on Correlated-Electron Systems

    International Nuclear Information System (INIS)

    Cornelius, Andrew L.

    2016-01-01

    This project used high pressure to alter the electron-electron and electron-lattice interactions in rare earth and actinide compounds. Knowledge of these properties is the starting points for a first-principles understanding of electronic and electronically related macroscopic properties. The research focused on a systematic study of x-ray absorption measurements on rare earth and actinide compounds.

  2. Study of the earth's deep interior and crystallography. X-ray and neutron diffraction experiments under high pressures

    International Nuclear Information System (INIS)

    Yagi, Takehiko

    2014-01-01

    History of the study of the Earth's deep interior was reviewed. In order to understand Earth's deep interior from the view point of materials science, X-ray diffraction under high pressure and high temperature played very important role. Use of synchrotron radiation dramatically advanced this experimental technique and it is now possible to make precise X-ray study under the P-T conditions corresponding even to the center of the Earth. In order to clarify the behavior of light elements such as hydrogen, however, studies using neutron diffraction are also required. A new neutron beam line dedicated for high-pressure science is constructed at J-PARC and is now ready for use. (author)

  3. Spectroscopic studies of sulfite-based polyoxometalates at high temperature and high pressure

    International Nuclear Information System (INIS)

    Quesada Cabrera, Raul; Firth, Steven; Blackman, Christopher S.; Long, De-Liang; Cronin, Leroy; McMillan, Paul F.

    2012-01-01

    Structural changes occurring within non-conventional Dawson-type [α/β-Mo 18 O 54 (SO 3 ) 2 ] 4− polyanions in the form of tetrapentylammonium salts were studied by a combination of IR, Raman and visible spectroscopy at high temperature and high pressure. Evidence of the formation of bronze-type materials above 400 K and also upon pressurization to 8 GPa is presented. This conclusion is suggested to be a general result for polyoxometalate compounds subjected to extreme conditions and it opens opportunities for the design of new materials with interesting optical and electronic properties. - Graphical abstract: Structural changes occurring within non-conventional Dawson-type [α/β-Mo 18 O 54 (SO 3 ) 2 ] 4− polyanions in the form of tetrapentylammonium salts were studied by a combination of IR, Raman and visible spectroscopy at high temperature and high pressure. Evidence of the formation of bronze-type materials above 400 K and also upon pressurization to 8 GPa is presented. This conclusion is suggested to be a general result for polyoxometalate compounds subjected to extreme conditions and it opens opportunities for the design of new materials with interesting optical and electronic properties. Highlights: ► Spectroscopy studies of non-conventional Wells–Dawson polyoxometalates (POMs) at high temperature and high pressure. ► Discussion on the stability of two POM isomers. ► Local formation of bronze-like materials: possibilities for a new synthetic method at high pressure from POM precursors.

  4. Study on flow regimes of high-pressure and dense-phase pneumatic conveying

    International Nuclear Information System (INIS)

    Lu Peng; Chen Xiaoping; Liang Cai; Pu Wenhao; Zhou Yun; Xu Pan; Zhao Changsui

    2009-01-01

    High-pressure and dense-phase pneumatic conveying of pulverized coal is a key technology in the field of large-scale entrained bed coal gasification. Flow regime plays an important role in two-phase flow because it affects not only flow behavior and safety operation, but also the reliability of practical processes. Few references and experiences in high-pressure and dense-phase conveying are available, especially for the flow regimes. And because of the high stickiness and electrostatic attraction of pulverized coal to the pipe wall, it is very difficult to make out the flow regimes in the conveying pipe by visualization method. Thus quartz powder was chosen as the conveyed material to study the flow regime. High-speed digital video camera was employed to photograph the flow patterns. Experiments were conducted on a pilot scale experimental setup at the pressure up to 3.6MPa. With the decrease in superficial gas velocity, three distinguishable flow regimes were observed: stratified flow, dune flow and plug flow. The characteristics of pressure traces acquired by high frequency response pressure transmitter and their EMD (Empirical Mode Decomposition) characteristics were correlated strongly with the flow regimes. Combining high-speed photography and pressure signal analysis together can make the recognition of flow patterns in the high-pressure and dense-phase pneumatic conveying system more accurate. The present work will lead to better understanding of the flow regime transition under high-pressure.

  5. High pressure study of nanostructured Cu2Sb by X-ray Diffraction, Extended X-ray Absorption fine structure and Raman measurements

    International Nuclear Information System (INIS)

    Souza, Sergio Michielon de; Triches, Daniela Menegon; Lima, Joao Cardoso de; Polian, Alain

    2016-01-01

    Full text: Nanostructured tetragonal Cu 2 Sb was prepared by mechanical alloying and its stability was studied as a function of pressure using synchrotron X-ray diffraction (XRD) Extended X-Ray Absorption Fine Structure (EXAFS) and Raman spectroscopy. The high pressure XRD data were collected at 0.6, 1.1, 2.2, 3.4, 5.0, 7.1, 8.0, 9.9, 14.8, 18.7, 23.2, 29.3 and 40.6 GPa in the ELETTRA synchrotron (Italy) with λ = 0.68881 Å. The high pressure EXAFS measurements were carried out in the Soleil synchrotron (France) in 0.6, 1.8, 3.0, 4.5, 6.1, 8.0, 10.3, 12.7, 15.5, 18.0, 19.0, 20.0, 22.1, 23.9, 26.3 and 29.4 GPa and the high pressure Raman spectroscopy in the Institut de Mineralogie et de Physique des Milieux Condenses (France) collected at 0.1, 1.6, 3.7, 6.7, 11.2, 15.1, 19.4, 24.5, 30.8, 36.3, 41.3 and 44.5 GPa. The results show high structural and optical phase stability. The moduli bulk and its derivatives were obtained by using the Birch-Murnaghan equation of states to the XRD and EXAFS results. The evolution of the Raman modes and the bulk moduli were used to obtain the Grueneisen parameters. (author)

  6. A study on impulsive sound attenuation for a high-pressure blast flow field

    International Nuclear Information System (INIS)

    Kang, Kuk Jeong; Ko, Sung Ho; Lee, Dong Soo

    2008-01-01

    The present work addresses a numerical study on impulsive sound attenuation for a complex high-pressure blast flow field; these characteristics are generated by a supersonic propellant gas flow through a shock tube into an ambient environment. A numerical solver for analyzing the high pressure blast flow field is developed in this study. From numerical simulations, wave dynamic processes (which include a first precursor shock wave, a second main propellant shock wave, and interactions in the muzzle blasts) are simulated and discussed. The pressure variation of the blast flow field is analyzed to evaluate the effect of a silencer. A live firing test is also performed to evaluate four different silencers. The results of this study will be helpful in understanding blast wave and in designing silencers

  7. A study on impulsive sound attenuation for a high-pressure blast flow field

    Energy Technology Data Exchange (ETDEWEB)

    Kang, Kuk Jeong [Agency for Defence Development, Daejeon (Korea, Republic of); Ko, Sung Ho; Lee, Dong Soo [Chungnam National University, Daejeon (Korea, Republic of)

    2008-01-15

    The present work addresses a numerical study on impulsive sound attenuation for a complex high-pressure blast flow field; these characteristics are generated by a supersonic propellant gas flow through a shock tube into an ambient environment. A numerical solver for analyzing the high pressure blast flow field is developed in this study. From numerical simulations, wave dynamic processes (which include a first precursor shock wave, a second main propellant shock wave, and interactions in the muzzle blasts) are simulated and discussed. The pressure variation of the blast flow field is analyzed to evaluate the effect of a silencer. A live firing test is also performed to evaluate four different silencers. The results of this study will be helpful in understanding blast wave and in designing silencers

  8. High Pressure Combustion Experimental Facility(HPCEF) for Studies on Combustion in Reactive Flows

    Science.gov (United States)

    2017-12-13

    SECURITY CLASSIFICATION OF: 1. REPORT DATE (DD-MM-YYYY) 4. TITLE AND SUBTITLE 13. SUPPLEMENTARY NOTES 12. DISTRIBUTION AVAILIBILITY STATEMENT 6...Report: High Pressure Combustion Experimental Facility (HPCEF) for Studies on Combustion in Reactive Flows The views, opinions and/or findings... contained in this report are those of the author(s) and should not contrued as an official Department of the Army position, policy or decision, unless so

  9. High pressure studies up to 50 GPa of Bi-based high-Tc superconductors

    International Nuclear Information System (INIS)

    Staun Olsen, J.; Steenstrup, S.; Gerward, L.; Sundqvist, B.

    1991-01-01

    The high-T c superconductor with nominal composition BiSrCaCu 2 O x has been studied at high pressure, i.e. up to 50 GPa. A tetragonal structure was compatible with the measurements at all pressures, and no phase change was observed. The bulk modulus, B o =62.5 GPa, obtained has a somewhat smaller value than the one estimated earier. (orig.)

  10. High-pressure cell for luminescence studies of condensed phases at low temperatures

    International Nuclear Information System (INIS)

    Variano, B.F.; Brenner, H.C.; Daniels, W.B.

    1986-01-01

    A clamped optical cell for high-pressure low-temperature fluorescence and phosphorescence studies is described. A particular innovation is the use of a bifurcated fiber-optic lightguide to enable sample illumination and emission collection with a single optical window. This very simple type of cell is adaptable to a variety of optical setups and is easily assembled and disassembled for sample mounting

  11. High pressure Raman scattering study on the phase stability of LuVO4

    International Nuclear Information System (INIS)

    Rao, Rekha; Garg, Alka B.; Sakuntala, T.; Achary, S.N.; Tyagi, A.K.

    2009-01-01

    High pressure Raman spectroscopic investigations have been carried out on rare earth orthovanadate LuVO 4 upto 26 GPa. Changes in the Raman spectrum around 8 GPa across the reported zircon to scheelite transition are investigated in detail and compared with those observed in other vanadates. Co-existence of the zircon and scheelite phases is observed over a pressure range of about 8-13 GPa. The zircon to scheelite transition is irreversible upon pressure release. Subtle changes are observed in the Raman spectrum above 16 GPa which could be related to scheelite ↔ fergusonite transition. Pressure dependencies of the Raman active modes in the zircon and the scheelite phases are reported. - Graphical abstract: Study of scheelite-fergusonite transition in RVO 4 by Raman spectroscopy is rare. Here we report Raman spectroscopic investigations of LuVO 4 at high pressure to obtain insight into nature of post-scheelite phases.

  12. Study of the high-pressure helium phase diagram using molecular dynamics

    International Nuclear Information System (INIS)

    Koci, L; Ahuja, R; Belonoshko, A B; Johansson, B

    2007-01-01

    The rich occurrence of helium and hydrogen in space makes their properties highly interesting. By means of molecular dynamics (MD), we have examined two interatomic potentials for 4 He. Both potentials are demonstrated to reproduce high-pressure solid and liquid equation of state (EOS) data. The EOS, solid-solid transitions and melting at high pressures (P) were studied using a two-phase method. The Buckingham potential shows a good agreement with theoretical and experimental EOS, but does not reproduce experimental melting data. The Aziz potential shows a perfect match with theoretical melting data. We conclude that there is a stable body-centred-cubic (bcc) phase for 4 He at temperatures (T) above 340 K and pressures above 22 GPa for the Buckingham potential, whereas no bcc phase is found for the Aziz potential in the applied PT range

  13. High pressure x-ray diffraction studies on U-Al systems

    International Nuclear Information System (INIS)

    Sahu, P.Ch.; Chandra Shekar, N.V.; Subramanian, N.; Yousuf, Mohammad; Govinda Rajan, K.

    1995-01-01

    In this paper, high pressure x-ray diffraction studies of the three U-Al compounds, namely, UAl 2 , UAl 3 and UAl 4 are presented. The experiments are carried out using a unique diamond anvil high pressure x-ray diffraction system in the Guinier geometry up to a maximum pressure of ∼ 35 GPa. The compressibility behaviour of UAl 2 is consistent with its itinerant 5f states, whereas that of UAl 3 and UAl 4 indicate more towards their localized nature. Among these three compounds, a structural phase transition in UAl 2 has been observed at ∼ 11 GPa and the structure of the high pressure phase has been identified to be of MgNi 2 type with space group P6 3 /mmc. The structure of UAl 2 at NTP is of MgCu 2 type with space group Fd3m. From the electron to atom ratio (e/α) consideration, another structural phase transition, namely, MgNi 2 -MgCu 2 at a higher pressure is proposed. Further, on a similar consideration, a new pressure induced structural sequence, namely, MgCu 2 -MgNi 2 (or MgZn 2 -MgCu 2 ) in the AB 2 type compounds of the f electron based systems is suggested. (author)

  14. Ab initio pseudopotential studies of cubic BC2N under high pressure

    International Nuclear Information System (INIS)

    Pan Zicheng; Sun Hong; Chen Changfeng

    2005-01-01

    We present the results of a systematic study of the structural, electronic, and vibrational properties of various cubic BC 2 N phases under high pressure. Ab initio pseudopotential total-energy and phonon calculations have been carried out to examine the changes in the structural parameters, bonding behaviours, band structures, and dynamic instabilities caused by phonon softening in these phases. We find that an experimentally synthesized high-density phase of cubic BC 2 N exhibits outstanding stability in the structural and electronic properties up to very high pressures. On the other hand, another experimentally identified phase with lower density and lower symmetry undergoes a dramatic structural transformation with a volume and bond-length collapse and a concomitant semi-metal to semiconductor transition. A third phase is predicted to be favourable over the above-mentioned lower-density phase by the enthalpy calculations. However, the dynamic phonon calculations reveal that it develops imaginary phonon modes and, therefore, is unstable in the experimental pressure range. The calculations indicate that its synthesis may be achieved at reduced pressures. These results provide a comprehensive understanding for the high-pressure behaviour of the cubic BC 2 N phases and reveal their interesting properties that can be verified by experiments

  15. High Pressure Optical Studies of the Thallous Halides and of Charge-Transfer Complexes

    Science.gov (United States)

    Jurgensen, Charles Willard

    High pressure was used to study the insulator -to-metal transition in sulfur and the thallous halides and to study the intermolecular interactions in charge -transfer complexes. The approach to the band overlap insulator -to-metal transition was studied in three thallous halides and sulfur by optical absorption measurements of the band gap as a function of pressure. The band gap of sulfur continuously decreases with pressure up to the insulator -to-metal transition which occurs between 450 and 485 kbars. The results on the thallous halides indicate that the indirect gap decreases more rapidly than the direct gap; the closing of the indirect gap is responsible for the observed insulator -to-metal transitions. High pressure electronic and vibrational spectroscopic measurements on the solid-state complexes of HMB-TCNE were used to study the intermolecular interactions of charge -transfer complexes. The vibrational frequency shifts indicate that the degree of charge transfer increases with pressure which is independently confirmed by an increase in the molar absorptivity of the electronic charge-transfer peak. Induction and dispersion forces contribute towards a red shift of the charge-transfer peak; however, charge-transfer resonance contributes toward a blue shift and this effect is dominant for the HMB-TCNE complexes. High pressure electronic spectra were used to study the effect of intermolecular interactions on the electronic states of TCNQ and its complexes. The red shifts with pressure of the electronic spectra of TCNQ and (TCNQ)(' -) in polymer media and of crystalline TCNQ can be understood in terms of Van der Waals interactions. None of the calculations which considered intradimer distance obtained the proper behavior for either the charge-transfer of the locally excited states of the complexes. The qualitative behavior of both states can be interpreted as the effect of increased mixing of the locally excited and charge transfer states.

  16. Fluorinert as a pressure-transmitting medium for high-pressure diffraction studies

    International Nuclear Information System (INIS)

    Varga, Tamas; Wilkinson, Angus P.; Angel, Ross J.

    2003-01-01

    Fluorinert is a liquid pressure-transmitting medium that is widely used in high-pressure diffraction work. A systematic study of five different fluorinerts was carried out using single-crystal x-ray diffraction in a diamond-anvil cell in order to determine the pressure range over which they provide a hydrostatic stress state to the sample. It was found that none of the fluorinerts studied can be considered hydrostatic above 1.2 GPa, a lower pressure than reported previously

  17. Experimental and Kinetic Modeling Study of Methanol Ignition and Oxidation at High Pressure

    DEFF Research Database (Denmark)

    Aranda, V.; Christensen, J. M.; Alzueta, Maria

    2013-01-01

    A detailed chemical kinetic model for oxidation of CH3OH at high pressure and intermediate temperatures has been developed and validated experimentally. Ab initio calculations and Rice–Ramsperger–Kassel–Marcus/transition state theory (RRKM/TST) analysis were used to obtain rate coefficients for CH...... the conditions studied, the onset temperature for methanol oxidation was not dependent on the stoichiometry, whereas increasing pressure shifted the ignition temperature toward lower values. Model predictions of the present experimental results, as well as rapid compression machine data from the literature, were...

  18. High-pressure nuclear magnetic resonance studies of fuel cell membranes

    Science.gov (United States)

    Mananga, Eugene Stephane

    This thesis focuses on the use of high pressure NMR to study transport properties in electrolyte membranes used for fuel cells. The main concern is in studying the self-diffusion coefficients of ions and molecules in membranes and solutions, which can be used to characterize electrolytes in fuel cells. For this purpose, a high-pressure fringe field NMR method to study transport properties in material systems useful for fuel cell and battery electrolytes, was designed, developed, and implemented. In this investigation, pressure is the thermodynamic variable to obtain additional information about the ionic transport process, which could yield the crucial parameter, activation volume. Most of the work involves proton NMR, with additional investigations of others nuclei, such as fluorine, phosphorus and lithium. Using the FFG method, two fuel cell membrane types (NAFION-117, SPTES), and different dilutions of phosphoric acid were investigated, as was LiTf salt in Diglyme solution, which is used as a lithium battery electrolyte. In addition to high-pressure NMR diffusion measurements carried out in the fringe field gradient for the investigation of SPTES, pulse field gradient spin echo NMR was also used to characterize the water diffusion, in addition to measuring diffusion rates as a function of temperature. This second method allows us to measure distinct diffusion coefficients in cases where the different nuclear (proton) environments can be resolved in the NMR spectrum. Polymer electrolyte systems, in which the mobility of both cations and anions is probed by NMR self-diffusion measurements using standard pulsed field gradient methods and static gradient measurements as a function of applied hydrostatic pressure, were also investigated. The material investigated is the low molecular weight liquid diglyme/LiCF3SO3 (LiTf) complexes which can be used as electrolytes in lithium batteries. Finally, high-pressure diffusion coefficient measurements of phosphoric acid in

  19. Study of the high pressure effect on nanoparticles GdVO4: Eu3+ optical properties

    Science.gov (United States)

    Jovanić, B. R.; Bettinelli, M.; Piccinelli, F.; Radenković, B.; Despotović-Zrakić, M.; Bogdanović, Z.

    2015-07-01

    This study considers the effects of hydrostatic pressure on the line position and fluorescence lifetime τ for 5D0 → 7F2 transitions in GdVO4: Eu3+ nanocrystals. The results indicate that the pressure induced the red shift toward longer wavelengths for all the considered lines with different rate. The fluorescence lifetime τ nonlinearly decreases with pressure in the considered pressure range. High pressure induced the fluorescence lifetime τ that can be explained with a simple theoretical model. The measured line position and τ are in a satisfactory agreement with the theoretical calculations.

  20. Small-angle neutron scattering study of high-pressure sintered detonation nanodiamonds

    Energy Technology Data Exchange (ETDEWEB)

    Kidalov, S. V.; Shakhov, F. M., E-mail: fedor.shakhov@mail.ioffe.ru [Ioffe Physical-Technical Institute of the Russian Academy of Sciences (Russian Federation); Lebedev, V. T.; Orlova, D. N.; Grushko, Yu. S. [Russian Academy of Sciences, Konstantinov St. Petersburg Nuclear Physics Institute (Russian Federation)

    2011-12-15

    The structure of detonation diamonds sintered at a high pressure (7 GPa) and temperatures of 1200-1700 Degree-Sign C has been investigated by small-angle neutron scattering. It is shown that sintering leads to an increase in the particle size from 6 to 30 nm and established that this increase is due to the chainlike oriented attachment of particles. This study supplements the oriented-attachment model, which was suggested based on the X-ray diffraction spectra of detonation nanodiamonds (DNDs) sintered under the same conditions.

  1. High-pressure system for Compton scattering experiments

    International Nuclear Information System (INIS)

    Oomi, G.; Honda, F.; Kagayama, T.; Itoh, F.; Sakurai, H.; Kawata, H.; Shimomura, O.

    1998-01-01

    High-pressure apparatus for Compton scattering experiments has been developed to study the momentum distribution of conduction electrons in metals and alloys at high pressure. This apparatus was applied to observe the Compton profile of metallic Li under pressure. It was found that the Compton profile at high pressure could be obtained within several hours by using this apparatus and synchrotron radiation. The result on the pressure dependence of the Fermi momentum of Li obtained here is in good agreement with that predicted from the free-electron model

  2. High pressure phases of terbium: Possibility of a thcp phase

    International Nuclear Information System (INIS)

    Staun Olsen, J.; Steenstrup, S.; Gerward, L.

    1985-01-01

    High pressure phases of trivalent Tb studied by energy dispersive X-ray diffraction with synchrotron radiation exhibits the closed packed sequence (hcp -> Sm -> dhcp -> fcc) typical of the trivalent rare earth metals. Furthermore, a phase consistent with a triple hexagonal closed packed (thcp) structure was observed in a narrow pressure range around 30 GPa. (orig.)

  3. First principles study of LiAlO2: new dense monoclinic phase under high pressure

    Science.gov (United States)

    Liu, Guangtao; Liu, Hanyu

    2018-03-01

    In this work, we have systematically explored the crystal structures of LiAlO2 at high pressures using crystal structure prediction method in combination with the density functional theory calculations. Besides the reported α, β, γ, δ and ɛ-phases, here we propose a new monoclinic ζ-LiAlO2 (C2/m) structure, which becomes thermodynamically and dynamically stable above 27 GPa. It is found that the cation coordination number increases from 4 to 6 under compression. Consisting of the compact {LiO6} and {AlO6} octahedrons, the newly-discovered ζ-phase possesses a very high density. Further electronic calculations show that LiAlO2 is still an insulator up to 60 GPa, and its bandgap increases upon compression. The present study advances our understanding on the crystal structures and high-pressure phase transitions of LiAlO2 that may trigger applications in multiple areas of industry and provoke more related basic science research.

  4. Feasibility studies of high-pressure 4π proportional counter for absolute activity measurement

    International Nuclear Information System (INIS)

    Hino, Y.; Kawada, Y.

    1988-01-01

    A high-pressure proportional counter system is constructed. The high pressure 4πβ counter system constructed is made of aluminum and is divided into two 2π counters. The gas pressure is controlled with a pressure regulator and very fine leak valves to keep the balance of a stable pressure and constant flow rate. Investigation of characteristics of th counter shows that there is an almost linear relation between voltage and pressure. The linearlity of gas gain of this counter to the electron energies is measured with different gas pressures. Quite good linear gas multiplication is obtained at 0.9 MPa. Another investigation is made of application of to activity measurement of 109 Cd. When the gas pressure is over 0.5 MPa, the proportion of collected conversion electrons to absolute activity comes to a constant value of 96 %. This is quite good agreement with the decay data of 96.4 % conversion electron emission rate. The study indicated many excellent features for activity measurement. Especially the efficiency variation technique is good for automatic data acquisition with a programmable high voltage supplier. Moreover, since it is possible to obtain absolute activity with only one sample, it will be quite useful for limited samples experiments. (N.K.)

  5. An experimental study on the effects of high-pressure and multiple injection strategies on DI diesel engine emissions

    KAUST Repository

    Yang, Seung Yeon; Chung, Suk-Ho

    2013-01-01

    An experimental study on effects of high-pressure injections in conjunction with split fuel injections were conducted on an AVL single cylinder DI diesel engine. Various injection schemes were studied through the use of an electronically controlled

  6. Atomic photoelectron-spectroscopy studies using synchrotron radiation

    International Nuclear Information System (INIS)

    Kobrin, P.H.

    1983-02-01

    Photoelectron spectroscopy combined with tunable synchrotron radiation has been used to study the photoionization process in several atomic systems. The time structure of the synchrotron radiation source at the Stanford Synchrotron Radiation Laboratory (SSRL) was used to record time-of-flight (TOF) photoelectron spectra of gaseous Cd, Hg, Ne, Ar, Ba, and Mn. The use of two TOF analyzers made possible the measurement of photoelectron angular distributions as well as branching ratios and partial cross sections

  7. Raman spectroscopic studies on CeVO4 at high pressures

    International Nuclear Information System (INIS)

    Rao, Rekha; Garg, Alka B.; Wani, B.N.

    2011-01-01

    Raman scattering investigations of CeVO 4 at high pressures is reported. Polycrystalline CeVO 4 was prepared by solid state reaction of CeO 2 and V 2 O 5 . High pressure Raman spectroscopic measurements were carried out as per experimental details given

  8. PREFACE: Rheology and Elasticity Studies at Ultra-High Pressures and Temperatures

    Science.gov (United States)

    Liu, Haozhe; Wenk, Hans-Rudolf; Duffy, Thomas S.

    2006-06-01

    One of the major goals of geophysical research is to understand deformation in the deep Earth. The COMPRES (Consortium for Materials Properties Research in Earth Sciences) workshop on `Rheology and Elasticity Studies at Ultra-High Pressures and Temperatures' was held on 21-23 October 2005 at the Advanced Photon Source, Argonne National Laboratory, organized by Haozhe Liu, Hans-Rudolf Wenk and Thomas S Duffy, and provided an opportunity to assemble more than 50 scientists from six countries. Experts in diamond anvil cell (DAC) design, large-volume high-pressure apparatus and data analysis defined the current state of ultra-high pressure deformation studies and explored initiatives to push the technological frontier. The DAC, when used in radial diffraction geometry, emerges as a powerful tool for investigation of plasticity and elasticity of materials at high pressures. More information regarding this workshop can be found at the website: http://www.hpcat.aps.anl.gov/Hliu/Workshop/Index1.htm. In this special issue of Journal of Physics: Condensed Matter, 17 manuscripts review the state-of-the-art and we hope they will stimulate researchers to participate in this field and take it forward to a new level. A major incentive for high-pressure research has been the need of geophysicists to understand composition, physical properties and deformation in the deep Earth in order to interpret the macroscopically observed seismic anisotropy. In the mantle and core, materials deform largely in a ductile manner at low stresses and strain rates. From observational inferences and experiments at lower pressures, it is considered plausible that deformation occurs in the field of dislocation creep or diffusion creep and deformation mechanisms depend in a complex way on stress, strain rate, pressure, temperature, grain size and hydration state. With novel apparatus such as the rotational Drickamer press or deformation DIA (D-DIA) multianvil apparatus, large volumes (approximately 10

  9. Parametric study of unconstrained high-pressure torsion- Finite element analysis

    International Nuclear Information System (INIS)

    Halloumi, A; Busquet, M; Descartes, S

    2014-01-01

    The high-pressure torsion (HPT) experiments have been investigated numerically. An axisymmetric model with twist was developed with commercial finite element software (Abaqus) to study locally the specificity of the stress and strain history within the transformed layers produced during HPT processing. The material local behaviour law in the plastic domain was modelled. A parametric study highlights the role of the imposed parameters (friction coefficient at the interfaces anvil surfaces/sample, imposed pressure) on the stress/strain distribution in the sample bulk for two materials: ultra-high purity iron and steel grade R260. The present modelling provides a tool to investigate and to analyse the effect of pressure and friction on the local stress and strain history during the HPT process and to couple with experimental results

  10. Risk Associated With The Decompression Of High Pressure High Temperature Fluids - Study On Black Oil

    DEFF Research Database (Denmark)

    Figueroa, D. C.; Fosbøl, P. L.; Thomsen, K.

    2015-01-01

    Fluids produced from deep underground reservoirs may result in exponential increase in temperature. It is a consequence of adiabatic fluid decompression from the inverse Joule Thomson Effect (JTE). The phenomenon requires analysis in order to avoid any operational risks. This study evaluates...... the JTE upon decompression of black oil in high pressure-high temperature reservoirs. Also the effect caused by the presence of water and brine on the black oil is studied. The final temperature is calculated from the corresponding energy balance at isenthalpic and non-isenthalpic conditions. It is found...... that the final temperature of black oil increases upon adiabatic decompression. In the case of the isenthalpic process at initial conditions of the reservoir, e.g. 150°C and 1000 bars, it is found that the final temperature can increase to 173.7°C. At non-isenthalpic conditions the final temperature increases...

  11. Parametric Study of Pulse-Combustor-Driven Ejectors at High-Pressure

    Science.gov (United States)

    Yungster, Shaye; Paxson, Daniel E.; Perkins, Hugh D.

    2015-01-01

    Pulse-combustor configurations developed in recent studies have demonstrated performance levels at high-pressure operating conditions comparable to those observed at atmospheric conditions. However, problems related to the way fuel was being distributed within the pulse combustor were still limiting performance. In the first part of this study, new configurations are investigated computationally aimed at improving the fuel distribution and performance of the pulse-combustor. Subsequent sections investigate the performance of various pulse-combustor driven ejector configurations operating at highpressure conditions, focusing on the effects of fuel equivalence ratio and ejector throat area. The goal is to design pulse-combustor-ejector configurations that maximize pressure gain while achieving a thermal environment acceptable to a turbine, and at the same time maintain acceptable levels of NOx emissions and flow non-uniformities. The computations presented here have demonstrated pressure gains of up to 2.8%.

  12. Structural study of ball-milled sodium alanate under high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Selva Vennila, R. [Center for Study of Matter at Extreme Conditions, Florida International University, Miami, FL 33199 (United States)], E-mail: selva.raju@fiu.edu; Drozd, Vadym; George, Lyci; Saxena, Surendra K. [Center for Study of Matter at Extreme Conditions, Florida International University, Miami, FL 33199 (United States); Liermann, Hanns-Peter [High Pressure Collaboration Access Team (HPCAT) and Geophysical Laboratory, Advanced Photon Source, Argonne National Laboratory, Argonne, IL 60439 (United States); Liu, H.Z. [HPCAT, Geophysical Laboratory, Carnegie Institution of Washington, Building 434E, 9700 South Cass Avenue, Argonne, Illinois 60439 (United States); Stowe, Ashley C.; Berseth, Polly; Anton, Donald; Zidan, Ragaiy [Savannah River National Laboratory, Energy Security Department, Aiken, SC 29808 (United States)

    2009-04-03

    Ball-milled NaAlH{sub 4} was studied up to 15 GPa in a diamond anvil cell (DAC) by X-ray diffraction using a synchrotron radiation source. Lattice parameters were determined from the X-ray diffraction data at various pressures up to 6.5 GPa. Intensity of the powder diffraction patterns decreased with increasing pressure. Amorphisation started at a pressure of {approx}6.5 GPa and completed at 13.5 GPa. Reversible phase transformation from amorphous phase to the tetragonal phase was observed. A fit to the pressure-volume data equation of state was obtained using the Birch-Murnaghan equation of state and the bulk modulus was found to be 52.16 {+-} 0.9 GPa which is twice higher than the unmilled NaAlH{sub 4}.

  13. Structural study of ball-milled sodium alanate under high pressure

    International Nuclear Information System (INIS)

    Selva Vennila, R.; Drozd, Vadym; George, Lyci; Saxena, Surendra K.; Liermann, Hanns-Peter; Liu, H.Z.; Stowe, Ashley C.; Berseth, Polly; Anton, Donald; Zidan, Ragaiy

    2009-01-01

    Ball-milled NaAlH 4 was studied up to 15 GPa in a diamond anvil cell (DAC) by X-ray diffraction using a synchrotron radiation source. Lattice parameters were determined from the X-ray diffraction data at various pressures up to 6.5 GPa. Intensity of the powder diffraction patterns decreased with increasing pressure. Amorphisation started at a pressure of ∼6.5 GPa and completed at 13.5 GPa. Reversible phase transformation from amorphous phase to the tetragonal phase was observed. A fit to the pressure-volume data equation of state was obtained using the Birch-Murnaghan equation of state and the bulk modulus was found to be 52.16 ± 0.9 GPa which is twice higher than the unmilled NaAlH 4

  14. High pressure behaviour of uranium dicarbide (UC{sub 2}): Ab-initio study

    Energy Technology Data Exchange (ETDEWEB)

    Sahoo, B. D., E-mail: bdsahoo@barc.gov.in; Mukherjee, D.; Joshi, K. D.; Kaushik, T. C. [Applied Physics Division, Bhabha Atomic Research Centre, Mumbai 400085 (India)

    2016-08-28

    The structural stability of uranium dicarbide has been examined under hydrostatic compression employing evolutionary structure search algorithm implemented in the universal structure predictor: evolutionary Xtallography (USPEX) code in conjunction with ab-initio electronic band structure calculation method. The ab-initio total energy calculations involved for this purpose have been carried out within both generalized gradient approximations (GGA) and GGA + U approximations. Our calculations under GGA approximation predict the high pressure structural sequence of tetragonal → monoclinic → orthorhombic for this material with transition pressures of ∼8 GPa and 42 GPa, respectively. The same transition sequence is predicted by calculations within GGA + U also with transition pressures placed at ∼24 GPa and ∼50 GPa, respectively. Further, on the basis of comparison of zero pressure equilibrium volume and equation of state with available experimental data, we find that GGA + U approximation with U = 2.5 eV describes this material better than the simple GGA approximation. The theoretically predicted high pressure structural phase transitions are in disagreement with the only high experimental study by Dancausse et al. [J. Alloys. Compd. 191, 309 (1993)] on this compound which reports a tetragonal to hexagonal phase transition at a pressure of ∼17.6 GPa. Interestingly, during lowest enthalpy structure search using USPEX, we do not see any hexagonal phase to be closer to the predicted monoclinic phase even within 0.2 eV/f. unit. More experiments with varying carbon contents in UC{sub 2} sample are required to resolve this discrepancy. The existence of these high pressure phases predicted by static lattice calculations has been further substantiated by analyzing the elastic and lattice dynamic stability of these structures in the pressure regimes of their structural stability. Additionally, various thermo-physical quantities such as

  15. High-Pressure Behaviour of β-HMX Crystal Studied by DFT-LDA

    International Nuclear Information System (INIS)

    Dan, Lian; Lai-Yu, Lu; Dong-Qing, Wei; Qing-Ming, Zhang; Zi-Zheng, Gong; Yong-Xin, Guo

    2008-01-01

    Density functional theory (DFT) with local density approximation (LDA) is employed to study the structural and electronic properties of the high explosive octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) under high pressure compression up to 40 GPa. Pressure dependences of the cell volume, lattice constants, and molecular geometry of solid β-HMX are presented and discussed. It is found that N-N and N-C bonds are subject to significant change. This may implies that these bonds may be related to the sensitivity. The band gap is calculated and plotted as a function of pressure. Compared the experimental results with other theoretical works we find that LDA gives good results

  16. Study of Electron Swarm in High Pressure Hydrogen Gas Filled RF Cavities

    International Nuclear Information System (INIS)

    Yonehara, K.; Chung, M.; Jansson, A.; Moretti, A.; Popovic, M.; Tollestrup, A.; Alsharo'a, M.; Johnson, R.P.; Notani, M.; Oka, T.; Wang, H.

    2010-01-01

    A high pressure hydrogen gas filled RF cavity has been proposed for use in the muon collection system for a muon collider. It allows for high electric field gradients in RF cavities located in strong magnetic fields, a condition frequently encountered in a muon cooling channel. In addition, an intense muon beam will generate an electron swarm via the ionization process in the cavity. A large amount of RF power will be consumed into the swarm. We show the results from our studies of the HV RF breakdown in a cavity without a beam and present some results on the resulting electron swarm dynamics. This is preliminary to actual beam tests which will take place late in 2010.

  17. Study of high-pressure adsorption from supercritical fluids by the potential theory

    DEFF Research Database (Denmark)

    Monsalvo, Matias Alfonso; Shapiro, Alexander

    2009-01-01

    The multicomponent potential theory of adsorption (MPTA), which has been previously used to study low-pressure adsorption of subcritical fluids, is extended to adsorption equilibria from supercritical fluids up to high pressures. The MPTA describes an adsorbed phase as an inhomogeneous fluid...... the adsorbed and the gas phases. We have also evaluated the performance of the classical Soave-Redlich-Kwong (SRK) EoS. The fluid-solid interactions are described by simple Dubinin-Radushkevich-Astakhov (DRA) potentials. In addition, we test the performance of the 10-4-3 Steele potential. It is shown...... that application of sPC-SAFT slightly improves the performance of the MPTA and that in spite of its simplicity, the DRA model can be considered as an accurate potential, especially, for mixture adsorption. We show that, for the sets of experimental data considered in this work, the MPTA is capable of predicting...

  18. High-pressure phases of CuI studied by 129I-Moessbauer spectroscopy

    International Nuclear Information System (INIS)

    Kaindl, G.; Nowik, I.; Frank, K.H.

    1992-01-01

    The results of an 129 I-Moessbauer study of the high-pressure phases of CuI at 4.2 K and for external pressures up to 71 kbar are reported. The isomer shift S and the electric quadrupole interaction E q are found to undergo large discontinuities at the crystallographic phase-transition pressures of ≅18 kbar from zinc-blende to rhombohedral structure and at ≅46 kbar from rhombohedral to tetragonal. The pressure coefficients of these hyperfine parameters are significantly different for the three phases (zinc-blende; rhombohedral; tetragonal): dS/dP=-3.3; =+1.5; =+2.5x10 -3 mm/s/kbar. These results cannot be explained in terms of a simple molecular-orbital picture; instead, they reflect pressure-induced variations of the halogen-p/metal-d hybridization in the valence bands of the various phases of CuI. (orig.)

  19. Ultrasonic and metallographic studies on AISI 4140 steel exposed to hydrogen at high pressure and temperature

    Science.gov (United States)

    Oruganti, Malavika

    This thesis conducts an investigation to study the effects of hydrogen exposure at high temperature and pressure on the behavior of AISI 4140 steel. Piezoelectric ultrasonic technique was primarily used to evaluate surface longitudinal wave velocity and defect geometry variations, as related to time after exposure to hydrogen at high temperature and pressure. Critically refracted longitudinal wave technique was used for the former and pulse-echo technique for the latter. Optical microscopy and scanning electron microscopy were used to correlate the ultrasonic results with the microstructure of the steel and to provide better insight into the steel behavior. The results of the investigation indicate that frequency analysis of the defect echo, determined using the pulse-echo technique at regular intervals of time, appears to be a promising tool for monitoring defect growth induced by a high temperature and high pressure hydrogen-related attack.

  20. High-pressure X-ray diffraction study of bulk- and nanocrystalline GaN

    DEFF Research Database (Denmark)

    Jorgensen, J.E.; Jakobsen, J.M.; Jiang, Jianzhong

    2003-01-01

    Bulk- and nanocrystalline GaN have been studied by high-pressure energy-dispersive X-ray diffraction. Pressure-induced structural phase transitions from the wurtzite to the NaCl phase were observed in both materials. The transition pressure was found to be 40 GPa for the bulk-crystalline GaN, while...... the wurtzite phase was retained up to 60 GPa in the case of nanocrystalline GaN. The bulk moduli for the wurtzite phases were determined to be 187 ( 7) and 319 ( 10) GPa for the bulk- and nanocrystalline phases, respectively, while the respective NaCl phases were found to have very similar bulk moduli [ 208...

  1. A visual acoustic high-pressure cell for the study of critical behavior of nonsimple mixtures

    Science.gov (United States)

    Aguiar-Ricardo, A.; Temtem, M.; Casimiro, T.; Ribeiro, N.

    2004-10-01

    A visual acoustic high-pressure cell was constructed for the determination of critical data of multicomponent mixtures. The cell was specially designed to include two piezoelectric transducers and two sapphire windows that make this cell well suited to investigate the critical behavior of mixtures, simultaneously using the acoustic technique and the direct visual inspection of the critical opalescence. Critical data obtained on the binary mixtures of CO2+CHF3 were used for comparison with values given in literature using the traditional methods. The acoustic results are in agreement with those obtained by the conventional methods, within the combined experimental errors. Comparison of visual and acoustic data enabled the evaluation of the applicability of the acoustic technique to study the critical behavior of multicomponent mixtures.

  2. Chain-length-dependent intermolecular packing in polyphenylenes: a high pressure study

    CERN Document Server

    Heimel, G; Oehzelt, M; Hummer, K; Koppelhuber-Bitschnau, B; Porsch, F; Ambrosch-Draxl, C; Resel, R

    2003-01-01

    We report on pressure-induced structural changes in crystalline oligo(para-phenylenes) containing two to six phenyl rings. The results are discussed with particular emphasis put on the implications these changes in intermolecular distances and molecular arrangement have on important bulk properties of this class of materials, such as optical response and charge transport. We performed energy dispersive x-ray diffraction in a systematic study on polycrystalline powders of biphenyl, para-terphenyl, p-quaterphenyl, p-quinquephenyl and p-sexiphenyl under hydrostatic pressure up to 60 kbar. Revisiting the crystal structures at ambient conditions reveals details in the packing principle. A linear relationship between the density at ambient conditions and the number of phenyl rings is found. High pressure data not only yields pressure-dependent lattice parameters and hints towards pressure-induced changes in the molecular arrangement but also allows for an analysis of the equations of state of these substances as a ...

  3. Small-angle x-ray scattering and density measurements of liquid Se50-Te50 mixture at high temperatures and high pressures using synchrotron radiation

    International Nuclear Information System (INIS)

    Kajihara, Y; Inui, M; Matsuda, K; Tomioka, Y

    2010-01-01

    We have carried out small-angle x-ray scattering and x-ray transmission measurements of liquid Se 50 -Te 50 mixture at SPring-8 in Japan and obtained the structure factor S(Q) at small-Q region (0.6 -1 ) and the density at high temperatures and high pressures up to 1000 0 C and 180 MPa. We report preliminary results in this paper. With increasing temperature, the density shows a minimum at around 500 0 C and a maximum at around 700 0 C. On the other hand, S(0) becomes maximum and S(Q) strongly depends on Q at around 600 0 C, which is about the middle temperature where the density shows the minimum and maximum. The temperatures shift to lower side when the pressure increases. These results prove that, with increasing temperature, the sample exhibits gradual transition from low-density structure to high-density structure, which causes mesoscopic density fluctuations in the intermediate temperature region.

  4. A synchrotron radiation study of strontium titanate

    International Nuclear Information System (INIS)

    Maslen, E.N.; Spadaccini, N.; Ito, T.; Marumo, F.; Satow, Y.

    1995-01-01

    Electron deformation densities Δρ for SrTiO 3 have been determined from diffraction data measured using focused synchrotron radiation with λ = 0.7000 (2) A at the Photon Factory, KEK, Japan. Corrections for secondary extinction were estimated from the variation of diffraction intensity with path length, and checked from the λ-dependence of the strong intensities indicated by measurements using a weaker parallel beam with λ = 0.5000 (2) A. The 0.7 A study is more precise than earlier analyses with Mo Kα radiation. The difference density near the Ti nucleus is mildly anisotropic, and the Δρ topography is similar to those for closed-shell atoms in related perovskite structures. (orig.)

  5. Parametric studies on containment thermal hydraulic loads during high pressure melt ejection in a BWR

    Energy Technology Data Exchange (ETDEWEB)

    Silde, A.; Lindholm, I. [VTT Energy, Espoo (Finland)

    1997-12-01

    The containment thermal hydraulic loads during high pressure melt ejection in a Nordic BWR are studied parametrically with the CONTAIN and the MELCOR codes. The work is part of the Nordic RAK-2 project. The containment analyses were divided into two categories according to composition of the discharged debris: metallic and oxidic debris cases. In the base case with highly metallic debris, all sources from the reactor coolant system to the containment were based on the MELCOR/BH calculation. In the base case with the oxidic debris, the source data was specified assuming that {approx} 15% of the whole core material inventory and 34,000 kg of saturated water was discharged from the reactor pressure vessel (RPV) during 30 seconds. In this case, the debris consisted mostly of oxides. The highest predicted containment pressure peaks were about 8.5 bar. In the scenarios with highly metallic debris source, very high gas temperature of about 1900 K was predicted in the pedestal, and about 1400 K in the upper drywell. The calculations with metallic debris were sensititive to model parameters, like the particle size and the parameters, which control the chemical reaction kinetics. In the scenarios with oxidic debris source, the predicted pressure peaks were comparable to the cases with the metallic debris source. The maximum gas temperatures (about 450-500 K) in the containment were, however, significantly lower than in the respective metallic debris case. The temperatures were also insensitive to parametric variations. In addition, one analysis was performed with the MELCOR code for benchmarking of the MELCOR capabilities against the more detailed CONTAIN code. The calculations showed that leak tightness of the containment penetrations could be jeopardized due to high temperature loads, if a high pressure melt ejection occurred during a severe accident. Another consequence would be an early containment venting. (au). 28 refs.

  6. High-Pressure and High-Temperature in situ X-Ray Diffraction Study of FeP2 up to 70 GPa

    International Nuclear Information System (INIS)

    Gu Ting-Ting; Wu Xiang; Qin Shan; Liu Jing; Li Yan-Chun; Zhang Yu-Feng

    2012-01-01

    The high-pressure and high-temperature structural behavior of FeP 2 is investigated by means of synchrotron x-ray powder diffraction combined with a laser heating technique up to 70 GPa and at least 1800 K. No phase transition of FeP 2 occurs up to 68 GPa at room temperature. While a new phase of FeP 2 assigned to the CuAl 2 -type structure (I4/mcm, Z = 4) is observed at 70 GPa after laser-heating. This new phase presents a quenchable property on decompression to ambient conditions. Our results update previous experimental data and are consistent with theoretical studies. (condensed matter: structure, mechanical and thermal properties)

  7. High pressure study of water-salt systems, phase equilibria, partitioning, thermodynic properties and implication for large icy worlds hydrospheres.

    Science.gov (United States)

    Journaux, B.; Brown, J. M.; Abramson, E.; Petitgirard, S.; Pakhomova, A.; Boffa Ballaran, T.; Collings, I.

    2017-12-01

    Water salt systems are predicted to be present in deep hydrosphere inside water-rich planetary bodies, following water/rock chemical interaction during early differentiation stages or later hydrothermal activity. Unfortunately the current knowledge of the thermodynamic and physical properties of aqueous salt mixtures at high pressure and high temperature is still insufficient to allow realistic modeling of the chemical or dynamic of thick planetary hydrospheres. Recent experimental results have shown that the presence of solutes, and more particularly salts, in equilibrium with high pressure ices have large effects on the stability fields, buoyancy and chemistry of all the phases present at these extreme conditions. Effects currently being investigated by our research group also covers ice melting curve depressions that depend on the salt species and incorporation of solutes inside the crystallographic lattice of high pressure ices. Both of these could have very important implication at the planetary scale, enabling thicker/deeper liquid oceans, and allowing chemical transportation through the high pressure ice layer in large icy worlds. We will present the latest results obtained in-situ using diamond anvil cell, coupled with Synchrotron X-Ray diffraction, Raman Spectroscopy and optical observations, allowing to probe the crystallographic structure, equations of state, partitioning and phase boundary of high pressure ice VI and VII in equilibrium with Na-Mg-SO4-Cl ionic species at high pressures (1-10 GPa). The difference in melting behavior depending on the dissolved salt species was characterized, suggesting differences in ionic speciation at liquidus conditions. The solidus P-T conditions were also measured as well as an increase of lattice volumes interpreted as an outcome of ionic incorporation in HP ice during incongruent crystallization. The measured phase diagrams, lattice volumes and important salt incorporations suggest a more complex picture of the

  8. Molecular photoemission studies using synchrotron radiation

    International Nuclear Information System (INIS)

    Truesdale, C.M.

    1983-04-01

    The angular distributions of photoelectrons and Auger electrons were measured by electron spectroscopy using synchrotron radiation. The experimental results are compared with theoretical calculations to interpret the electronic behavior of photoionization for molecular systems

  9. X-ray imaging for studying behavior of liquids at high pressures and high temperatures using Paris-Edinburgh press

    International Nuclear Information System (INIS)

    Kono, Yoshio; Kenney-Benson, Curtis; Park, Changyong; Shen, Guoyin; Shibazaki, Yuki; Wang, Yanbin

    2015-01-01

    Several X-ray techniques for studying structure, elastic properties, viscosity, and immiscibility of liquids at high pressures have been integrated using a Paris-Edinburgh press at the 16-BM-B beamline of the Advanced Photon Source. Here, we report the development of X-ray imaging techniques suitable for studying behavior of liquids at high pressures and high temperatures. White X-ray radiography allows for imaging phase separation and immiscibility of melts at high pressures, identified not only by density contrast but also by phase contrast imaging in particular for low density contrast liquids such as silicate and carbonate melts. In addition, ultrafast X-ray imaging, at frame rates up to ∼10 5 frames/second (fps) in air and up to ∼10 4 fps in Paris-Edinburgh press, enables us to investigate dynamics of liquids at high pressures. Very low viscosities of melts similar to that of water can be reliably measured. These high-pressure X-ray imaging techniques provide useful tools for understanding behavior of liquids or melts at high pressures and high temperatures

  10. X-ray imaging for studying behavior of liquids at high pressures and high temperatures using Paris-Edinburgh press

    Energy Technology Data Exchange (ETDEWEB)

    Kono, Yoshio; Kenney-Benson, Curtis; Park, Changyong; Shen, Guoyin [HPCAT, Geophysical Laboratory, Carnegie Institution of Washington, 9700 S. Cass Ave., Argonne, Illinois 60439 (United States); Shibazaki, Yuki [Frontier Research Institute for Interdisciplinary Sciences, Tohoku University, Aramaki aza Aoba 6-3, Aoba-ku, Sendai 980-8578 (Japan); Wang, Yanbin [GeoSoilEnviroCARS, Center for Advanced Radiation Sources, The University of Chicago, 5640 S. Ellis Avenue, Chicago, Illinois 60637 (United States)

    2015-07-15

    Several X-ray techniques for studying structure, elastic properties, viscosity, and immiscibility of liquids at high pressures have been integrated using a Paris-Edinburgh press at the 16-BM-B beamline of the Advanced Photon Source. Here, we report the development of X-ray imaging techniques suitable for studying behavior of liquids at high pressures and high temperatures. White X-ray radiography allows for imaging phase separation and immiscibility of melts at high pressures, identified not only by density contrast but also by phase contrast imaging in particular for low density contrast liquids such as silicate and carbonate melts. In addition, ultrafast X-ray imaging, at frame rates up to ∼10{sup 5} frames/second (fps) in air and up to ∼10{sup 4} fps in Paris-Edinburgh press, enables us to investigate dynamics of liquids at high pressures. Very low viscosities of melts similar to that of water can be reliably measured. These high-pressure X-ray imaging techniques provide useful tools for understanding behavior of liquids or melts at high pressures and high temperatures.

  11. Computational study of a High Pressure Turbine Nozzle/Blade Interaction

    Science.gov (United States)

    Kopriva, James; Laskowski, Gregory; Sheikhi, Reza

    2015-11-01

    A downstream high pressure turbine blade has been designed for this study to be coupled with the upstream uncooled nozzle of Arts and Rouvroit [1992]. The computational domain is first held to a pitch-line section that includes no centrifugal forces (linear sliding-mesh). The stage geometry is intended to study the fundamental nozzle/blade interaction in a computationally cost efficient manner. Blade/Nozzle count of 2:1 is designed to maintain computational periodic boundary conditions for the coupled problem. Next the geometry is extended to a fully 3D domain with endwalls to understand the impact of secondary flow structures. A set of systematic computational studies are presented to understand the impact of turbulence on the nozzle and down-stream blade boundary layer development, resulting heat transfer, and downstream wake mixing in the absence of cooling. Doing so will provide a much better understanding of stage mixing losses and wall heat transfer which, in turn, can allow for improved engine performance. Computational studies are performed using WALE (Wale Adapted Local Eddy), IDDES (Improved Delayed Detached Eddy Simulation), SST (Shear Stress Transport) models in Fluent.

  12. High pressure studies of configuration interaction and crystal field effects in Sm2+

    International Nuclear Information System (INIS)

    Shen, Y.; Bray, K.L.

    1998-01-01

    Full text: Divalent rare earth ions are interesting luminescence centres because of the low energy of the excited 4f n-1 5d 1 configuration relative to the 4f n ground configuration. The low energy difference between these two configurations leads to two principle effects which distinguish the luminescence properties of divalent rare earth ions from those of trivalent rare earth ions. First, a significant amount of 5d state mixing into the electronic states of the 4f n configuration occurs and second, the thermal activation barrier to 4f n → 4f n-1 5d 1 crossing is greatly reduced. The first effect introduces opposite parity character into the emitting levels of divalent rare earth ions and acts to shorten lifetimes and increase f-f luminescence intensity, while the second effect acts to enhance thermal quenching of 4f n excited electronic states closest in energy to the 4f n-1 5d 1 configuration. The interaction between the 4f n and 4f n-1 5d 1 configurations and crystal field properties are typically studied by considering the luminescence properties of divalent rare earth ions in a series of host crystals. We are currently developing a new approach, based on high pressure luminescence spectroscopy, for understanding con-figuration interaction and crystal field properties of divalent rare earth ions. The strategy of our approach is to use high pressure as a tool of structural perturbation. By applying hydrostatic pressure to solids, we have an opportunity to continuously vary the nearest neighbour coordination environment of divalent rare earth dopants. Our general goal is to correlate pressure-induced changes in local structure with pressure-induced changes in luminescence properties in an attempt to better understand structure-property-composition relations in solid state luminescent materials. In this paper we present recent results on Sm 2+ in a series of MFCl (M = Sr, Ba, Ca) host lattices. Luminescence spectra and decay properties as a function of

  13. Study of discharges produced by surface waves under medium and high pressure: application to chemical analysis

    International Nuclear Information System (INIS)

    Laye epouse Granier, Agnes

    1986-01-01

    This report deals with the study of microwave discharges produced in argon gas by surface waves in the 20-760 Torr pressure range. Application to chemical analysis by emission optical spectroscopy is also investigated. First of all we study the propagation of a surface wave in a bounded plasma in which the effective collision frequency for momentum transfer ν is higher than the excitation one. The axial electron density profile is determined from two diagnostic techniques, i.e., phase variations of the wave field and Stark broadening of H β line. Then we deduce the discharge characteristics ν, θ (maintaining power of an electron-ion pair) and E eff (effective electric field for discharge sustaining) from the electron density profile. Then an energy balance of the discharge is developed. It explains the change of operating conditions in the 20-50 Torr range. At low pressure the discharge is governed by ambipolar diffusion whereas at high pressure, the electrons are mainly lost by volume recombination of Ar 2 + . Finally, we report on chemical analysis experiment of gases (optimum sensibility in found near 100 Torr) and of metallic solutions sprayed by a graphite oven. Performances of such a design and ICP plasma torches are compared. (author) [fr

  14. Microstructure and spectroscopy studies on cubic boron nitride synthesized under high-pressure conditions

    International Nuclear Information System (INIS)

    Nistor, L C; Nistor, S V; Dinca, G; Georgeoni, P; Landuyt, J van; Manfredotti, C; Vittone, E

    2002-01-01

    High-resolution electron microscopy (HREM) studies of the microstructure and specific defects in hexagonal boron nitride (h-BN) precursors and cubic boron nitride (c-BN) crystals made under high-pressure high-temperature conditions revealed the presence of half-nanotubes at the edges of the h-BN particles. Their sp 3 bonding tendency could strongly influence the nucleation rates of c-BN. The atomic resolution at extended dislocations was insufficient to allow us to determine the stacking fault energy in the c-BN crystals. Its mean value of 191 pm, 15 mJ m -2 is of the same order of magnitude as that of diamond. High-frequency (94 GHz) electron paramagnetic resonance studies on c-BN single crystals have produced new data on the D1 centres associated with the boron species. Ion-beam-induced luminescence measurements have indicated that c-BN is a very interesting luminescent material, which is characterized by four luminescence bands and exhibits a better resistance to ionizing radiation than CVD diamond

  15. Microstructure and spectroscopy studies on cubic boron nitride synthesized under high-pressure conditions

    Energy Technology Data Exchange (ETDEWEB)

    Nistor, L C [National Institute for Materials Physics, Bucharest (Romania); Nistor, S V [National Institute for Materials Physics, Bucharest (Romania); Dinca, G [Dacia Synthetic Diamonds Factory, Bucharest (Romania); Georgeoni, P [Dacia Synthetic Diamonds Factory, Bucharest (Romania); Landuyt, J van [University of Antwerpen - RUCA, EMAT, Antwerpen (Belgium); Manfredotti, C [Experimental Physics Department, University of Turin, Turin (Italy); Vittone, E [Experimental Physics Department, University of Turin, Turin (Italy)

    2002-11-11

    High-resolution electron microscopy (HREM) studies of the microstructure and specific defects in hexagonal boron nitride (h-BN) precursors and cubic boron nitride (c-BN) crystals made under high-pressure high-temperature conditions revealed the presence of half-nanotubes at the edges of the h-BN particles. Their sp{sup 3} bonding tendency could strongly influence the nucleation rates of c-BN. The atomic resolution at extended dislocations was insufficient to allow us to determine the stacking fault energy in the c-BN crystals. Its mean value of 191 pm, 15 mJ m{sup -2} is of the same order of magnitude as that of diamond. High-frequency (94 GHz) electron paramagnetic resonance studies on c-BN single crystals have produced new data on the D1 centres associated with the boron species. Ion-beam-induced luminescence measurements have indicated that c-BN is a very interesting luminescent material, which is characterized by four luminescence bands and exhibits a better resistance to ionizing radiation than CVD diamond.

  16. The use of on-line ion chromatography for high temperature and high pressure reaction studies

    International Nuclear Information System (INIS)

    Lynch, G.J.

    1993-10-01

    This paper describes the use of on-line ion chromatography as a tool for chemistry reaction studies in small volume systems. The technique was used to study chemistry behavior in a high temperature and high pressure autoclave system. A dual analyzer, multi-channel on-line ion chromatograph (IC) was configured to automate the sampling and analysis. Analytical channels were set up for analysis of inorganic anions, monovalent cations, conductivity, and pH. Conductivity and pH were measured using the IC as a flow injection analyzer. Use of the IC system provides significant advantages over conventional sampling and analysis techniques: Reduction in sample volume, a closed sampling system that protects air or light sensitive analytes from breakdown, around-the-clock test performance combined with automatic calibration and quality control checking, and detection and tracking of reaction products or unexpected contaminants. Methods used to correct measured concentrations for the effects of sampling and for calculation of control chemical loss half-lives are presented. A limited evaluation of the flow injection analysis methods for conductivity and pH is provided

  17. A preliminary high-pressure thermogravimetric study of combustion reactivity of a Collie coal char

    Energy Technology Data Exchange (ETDEWEB)

    Chan, Yii Leng; Zhang, Zhezi; Zhu, Mingming; Zhang, Dongke [Western Australia Univ., Crawley, WA (Australia). Centre for Energy (M473); Luan, Chao [Western Australia Univ., Crawley, WA (Australia). Centre for Energy (M473); Tsinghua Univ., Beijing (China). Inst. of Thermal Engineering; You, Changfu [Tsinghua Univ., Beijing (China). Inst. of Thermal Engineering

    2013-07-01

    The effect of pressure(up to 20 bar)on the reactivity of a char(150-160 {mu}m) produced from Western Australian Collie coal has been studied using a high-pressure thermogravimetric analyser (HP TGA). The pressure demonstrated a positive effect in enhancing char combustion reactivities.Kinetic parameters have been determined from the experimental data.The apparent reaction order was found to be approximately 0.7 and the apparent activation energies were 91.0 kJ/mol at atmospheric pressure and 1.5 kJ/mol at an elevated pressure(10 bar),indicating a shift in the control regimes of the reaction at elevated pressures.The lumped effect of the sample size, bulk diffusion,interparticle and intraparticle diffusion at the elevated pressures played an important role in reducing the mass transfer during the HP-TGA experimentation.Thus the activation energy calculated at elevated pressures may not represent the intrinsic activation energy of the char particles but the apparent values of the bulk of the samples.

  18. Raman studies of hexagonal MoO{sub 3} at high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, C.C.; Zhang, Z.M.; Dai, R.C.; Zhang, J.W.; Ding, Z.J. [Hefei National Laboratory for Physical Sciences at Microscale, Department of Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China); Zheng, L. [Department of Nanomaterials and Nanochemistry, Hefei National Laboratory for Physical Sciences at Microscale, University of Science and Technology of China, Hefei, Anhui 230026 (China); Wang, Z.P. [The Centre for Physical Experiments, University of Science and Technology of China, Hefei, Anhui 230026 (China)

    2011-05-15

    The transition-metal oxide MoO{sub 3} is an important semiconductor and has various technological applications in catalysts, electrochromic and photochromic devices, gas sensors, and battery electrodes. In this study, the hexagonal MoO{sub 3} prepared by a hydrothermal method is in morphology of microrod with diameter of 0.8-1.2 {mu}m and length of 2.0-4.3 {mu}m. Its structural stability was investigated by an in situ Raman scattering method in a diamond anvil cell up to 28.7 GPa at room temperature. The new Raman peak around 1000 cm{sup -1} implies that a phase transition from hexagonal to amorphous starts at 5.6 GPa, and the evolution of the Raman spectra indicates that the structural transition is completed at about 13.2 GPa. After releasing pressure to ambient condition, the Raman spectrum pattern of the high pressure phase was retained, revealing that the phase transition is irreversible. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  19. An experimental study of the process of maturation of huminite organic matter using high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Horvath, Z.A.

    1983-01-01

    Two series of tests of artificial coalification in high pressure tanks were conducted. Lignite coals of the Pliocene in open and closed systems were studied in the first series in the following conditions: length, 1 week; pressure, 1.5 and 10 kilobars and temperatures of 90, 120, 160 and 200C. In the second series an attempt was made to model the behavior of humous detrite (in a large quantity) in sedimentary rock. For this purpose a mixture was prepared of four different types of coal with a different degree of conversion which was then subjected to testing in the same conditions as in the first series of tests. The degree of coalification was determined on the basis of individual measures of the vitrinite reflection indicator. The results of the experiment showed that the determining factors in increasing the degree of coalification are the temperature and length of effects, while the role of pressure is insignificant and is expressed only in maintaining the rise in coalification in closed systems (which follows from the Le Chatelier Brown principle).

  20. High pressure {mu}SR studies: rare earths and related materials

    Energy Technology Data Exchange (ETDEWEB)

    Kalvius, G.M., E-mail: kalvius@ph.tum.de; Schreier, E. [Technical University Munich, Physics Department (Germany)], E-mail: kalvius@ph.tum.de; Ekstroem, M.; Hartmann, O. [Uppsala University, Physics Department (Sweden); Henneberger, S., E-mail: kalvius@ph.tum.de; Kratzer, A. [Technical University Munich, Physics Department (Germany)], E-mail: kalvius@ph.tum.de; Waeppling, R. [Uppsala University, Physics Department (Sweden); Martin, E., E-mail: kalvius@ph.tum.de; Burghart, F.J. [Technical University Munich, Physics Department (Germany)], E-mail: kalvius@ph.tum.de; Ballou, R.; Deportes, J. [CNRS, Laboratoire Louis Neel (France); Niedermayer, Ch. [University of Constance, Faculty of Physics (Germany)

    2000-11-15

    After a short introduction to {mu}SR with respect to the study of magnetic properties, followed by a brief outline of the principle of the high pressure-low temperature {mu}SR spectrometer installed at the Paul Scherrer Institute, we discuss some measurements on rare earth materials employing this instrument. They are concerned with: (1) The pressure dependence of the spin turning process in ferromagnetic Gd. (2) The volume dependence of the internal magnetic field in the heavy rare earth metals Gd, Dy, and Ho in their ordered magnetic states. (3) The response of the (first order) magnetic transition in the frustrated antiferromagnets of type RMn{sub 2} (R = Y,Gd) to pressure. (4) The variation of magnetic parameters with pressure in La{sub 2}CuO{sub 4} (powder sample), the antiferromagnetic parent compound of the high T{sub C} superconductors of type La{sub 2-x}(Sr, Ba){sub x}CuO{sub 4}. In conclusion a short outlook on further developments is given.

  1. Raman spectroscopic study of calcite III to aragonite transformation under high pressure and high temperature

    Science.gov (United States)

    Liu, Chuanjiang; Zheng, Haifei; Wang, Duojun

    2017-10-01

    In our study, a series of Raman experiments on the phase transition of calcite at high pressure and high temperature were investigated using a hydrothermal diamond anvil cell and Raman spectroscopy technique. It was found that calcite I transformed to calcite II and calcite III at pressures of 1.62 and 2.12 GPa and room temperature. With increasing temperature, the phase transition of calcite III to aragonite occurred. Aragonite was retained upon slowly cooling of the system, indicating that the transition of calcite III to aragonite was irreversible. Based on the available data, the phase boundary between calcite III and aragonite was determined by the following relation: P(GPa) = 0.013 × T(°C) + 1.22 (100°C ≤ T ≤ 170°C). It showed that the transition pressure linearly rose with increasing temperature. A better understanding of the stability of calcite III and aragonite is of great importance to further explore the thermodynamic behavior of carbonates and carbon cycling in the mantle.

  2. High pressure study of viscosity and temperature effects on tetracyanobenzene EDA complexes

    Science.gov (United States)

    Thomas, Michele Moisio; Drickamer, H. G.

    1981-12-01

    High pressure fluorescence studies from 0-10 kbar have been performed on electron donor-acceptor (EDA) complexes of s-tetracyanobenzene (TCNB) with a series of aromatic hydrocarbons. Four solvents were used: 2,2,4,4,6,8,8-heptamethylnonane (HMN), methylcyclohexane (MCH), 2,6,10,14-tetramethylpentadecane (TMPD), and a mixture of MCH and HMN. A viscosity range from 0.006 to 10 000 P was covered at two temperatures: 0 and 25 °C. As pressure (viscosity) increased the fluorescence spectrum shifted from one dominated by emission from the equilibrium (EQ) excited singlet state to one dominated by Franck-Condon (FC) singlet emission. Lifetime measurements for the complexes of o-xylene and p-xylene with TCNB yielded the two radiative rates (kEQ and kFC) as well as the rate of relaxation from FC to the EQ excited state (kRE). kRE was found to correlate well with viscosity and to be independent of temperature at constant viscosity, indicating that the relaxation process is diffusion controlled.

  3. High pressure study of viscosity effects on the luminescence of tetracyanobenzene EDA complexes

    Science.gov (United States)

    Thomas, Michele Moisio; Drickamer, H. G.

    1981-03-01

    High pressure fluorescence studies fron 0-10 kbar have been performed on electron donor-acceptor (EDA) complexes of s-tetracyanobenzene (TCNB) with a series of aromatic hydrocarbons. Four solvents were used, 2,2,4,4,6,8,8 heptamethylnonane (HMN), methylcyclohexane (MCH), 2,6,10,14 tetramethylpentadecane (TMPD), and a mixture of MCH and HMN. A viscosity range from 0.006 to 10 000 poise was covered at constant temperature. As pressure (viscosity) increased the fluorescence spectrum shifted from one dominated by emission from the equilibrium (EQ) excited singlet state to one dominated by Franck-Condon (FC) singlet emission. Lifetime measurements for the complexes of o-xylene and p-xylene with TCNB as well as one mesitylene complex yielded the two radiative rates (kEQ and kFC) as well as the rate of internal conversion from FC to the EQ excited state to (kIC). The results are discussed in terms of the rate of relaxation of the solvent compared with the rate kFC. It was found that kIC correlated very well with the solvent viscosity.

  4. Photoionization studies of atoms and molecules using synchrotron radiation

    International Nuclear Information System (INIS)

    Lindle, D.W.

    1988-01-01

    Photoionization studies of free atoms and molecules have undergone considerable development in the past decade, in large part due to the use of synchrotron radiation. The tunability of synchrotron radiation has permitted the study of photoionization processes near valence-and core-level ionization thresholds for atoms and molecules throught the Periodic Table. A general illustration of these types of study will be presented, with emphasis on a few of the more promising new directions in atomic and molecular physics being pursued with synchrotron radiation. (author) [pt

  5. An experimental study on the effects of high-pressure and multiple injection strategies on DI diesel engine emissions

    KAUST Repository

    Yang, Seung Yeon

    2013-03-25

    An experimental study on effects of high-pressure injections in conjunction with split fuel injections were conducted on an AVL single cylinder DI diesel engine. Various injection schemes were studied through the use of an electronically controlled, common rail injection system capable of injection pressures up to 200 MPa and a maximum of six injections per combustion event. Up to 100 MPa of the fuel injection pressure, the higher injection pressures create faster combustion rates that result in the higher in-cylinder gas temperatures as compared to conventional low-pressure fuel injection systems. When applying high-pressure injections, particulate emission reductions of up to 50% were observed with no change in hydrocarbon emissions, reductions of CO emissions and only slightly higher NOx emissions. Over 100 MPa, on the other hand, the higher injection pressures still reduced up to almost zero-level of particulate emission, at the same time that the NO emission is reduced greatly. Under these high-pressure injection conditions, strong correlations between soot and CO emissions were observed, which compete for the oxidizing OH species. Multiple or split high-pressure injections also investigated as a means to decrease particulate emissions. As a result, a four-split injection strategy resulted in a 55% reduction in particulates and with little or no penalty on NOx emissions. The high pressure split injection strategy with EGR was more effective in reducing particulate and CO emissions simultaneously. Copyright © 2013 SAE International and Copyright © 2013 TSAE.

  6. Raman spectroscopic studies of the polymorphism in ZrO2 at high pressures

    International Nuclear Information System (INIS)

    Arashi, H.; Ishigame, M.

    1982-01-01

    The Raman spectra of ZrO 2 at high pressures are measured at room temperature using a diamondanvil pressure-cell. Two kinds of pressure transmitting medium, methanol and NaCl, are used to see the effect of stress components on the phase transformation. The pressure of phase transformation shows a considerable difference between the two media. In the case of methanol, a phase transformation is observed at 3.5 GPa, while in the case of NaCl, at 5.4 GPa. In the high-pressure phase, 19 Raman bands are observed. This number of bands far exceeds that which is expected for the tetragonal phase, D/sub 4h/ 15 in space group. From the relation between the number of Raman bands and the crystal structure, it is more reasonable to consider that the high-pressure phase belongs to a orthorhombic system. The space group of the high-pressure phase is discussed on the basis of the observed number of Raman bands. (author)

  7. Experimental and kinetic modeling study of C2H4 oxidation at high pressure

    DEFF Research Database (Denmark)

    Lopez, Jorge Gimenez; Rasmussen, Christian Lund; Alzueta, Maria

    2009-01-01

    of conditions (0.003-100 bar, 200-3000 K). The results indicate that at 60 bar and medium temperatures vinyl peroxide, rather than CH2O and HCO, is the dominant product. The experiments, involving C2H4/O-2 mixtures diluted in N-2, were carried out in a high pressure flow reactor at 600-900 K and 60 bar, varying......A detailed chemical kinetic model for oxidation of C2H4 in the intermediate temperature range and high pressure has been developed and validated experimentally. New ab initio calculations and RRKM analysis of the important C2H3 + O-2 reaction was used to obtain rate coefficients over a wide range...

  8. X-ray diffraction measurements on CuGeO3 under high pressures to 81 GPa using synchrotron radiation and imaging plates

    International Nuclear Information System (INIS)

    Ming, L C; Eto, T; Takeda, K; Kobayashi, Y; Suzuki, E; Endo, S; Sharma, S K; Jayaraman, A; Kikegawa, T

    2002-01-01

    Angle-dispersive x-ray diffraction measurements using CuGeO 3 (I) and CuGeO 3 (III) as the starting materials were carried out to 81 and 31 GPa, respectively, at room temperature. Data for phase (I) show that phase transitions occur at ∼7, ∼14, and ∼22 GPa, respectively, corresponding to (I) → (II), (II) → (II'), and (II') → (VI) transitions, as reported previously. The tetragonal phase (VI) was found to be stable up to 81 GPa, the highest pressure determined in this study. The volume changes at the transition pressures are estimated to be of ∼5%, ∼0%, and ∼14% for (I) → (II), (II) → (II'), and (II') → (VI) transitions, respectively. Data from measurements where phase (III) was the starting material show that phase (III) first changes to phase (IV) at ∼7 GPa and then to (IV') at 13.5 GPa, and finally to phase (V) at ∼18 GPa, with volume changes of 1.5%, 0%, and 20%, respectively, at the transition pressure. The volume change of 20% at 18 GPa is consistent with the pyroxene-perovskite transition

  9. Study on time response character for high pressure gas ionization chamber of krypton and xenon

    International Nuclear Information System (INIS)

    Tan Chunming; Wu Haifeng; Qing Shangyu; Wang Liqiang

    2006-01-01

    The time response character for Kr and Xe high pressure gas ionization chamber is analyzed and deduced. Compared with the measure data of pulse rising time for three gas-filled ionization chambers, the calculated and experimental results are equal to each other. The rising time less than 10 ms for this kind of ionization chamber can be achieved, so this ionization chamber is able to meet the requirement for imaging detection. (authors)

  10. High pressure 129I Moessbauer studies of GeI4 molecular crystals

    International Nuclear Information System (INIS)

    Pasternak, M.P.; Taylor, R.D.

    1989-01-01

    The Moessbauer effect in 129 I in conjunction with Diamond-Anvil-Cell high pressure techniques was applied to investigate the high pressure phase(s) of the molecular crystal GeI 4 . The 129 I Quadrupole Interaction was the main probe for characterizing the intermolecular structural transformation with pressure. With increasing pressure, at about 15 GPAa, the onset of a partial molecular-association phase (HP1) is first observed. In HP1 two out of the four iodines strongly overlap to form linear chains of GeI 4 . The HP1 phase coexists with the low pressure (LP) molecular phase, but its population increases with increasing pressure. At P ∼20 GPa a second high pressure phase (HP2) is identified where all four iodines strongly overlap to form a three dimensional, fully molecular-associated structure. With increasing pressure and at P > 20 GPa, HP2 is the only phase up to P = 34 GPa, the highest pressure used. A significant hysteresis of the relative abundances with pressure is observed. The isomer shift of the HP2 and HP1 structures is considerably larger than that of the LP one. 11 refs., 3 figs

  11. High pressure 129I Moessbauer studies of GeI4 molecular crystals

    International Nuclear Information System (INIS)

    Pasternak, M.P.; Los Alamos National Lab.; Taylor, R.D.

    1990-01-01

    The Moessbauer effect in 129 I in cunjunction with Diamond-Anvil-Cell high pressure techniques was applied to investigate the high pressure phase(s) of the molecular crystal GeI 4 . The 129 I Quadrupole Interaction was the main probe for characterizing the intermolecular structural transformation with pressure. With increasing pressure, at about 15 GPa, the onset of a partial molecular-association phase (HP1) is first observed. In HP1 two out of the four iodines strongly overlap to form linear chains of GeI 4 . The HP1 phase coexists with the low pressure (LP) molecular phase, but its population increases with increasing pressure. At P≅20 GPa a second high pressure phase (HP2) is identified where all four iodines strongly overlap to form a three dimensional, fully molecular-associated structure. With increasing pressure and at P>20 GPa, HP2 is the only phase up to P=34 GPa, the highest pressure used. A significant hysteresis of the relative abundances with pressure is observed. The isomer shift of the HP2 and HP1 structures is considerably larger than that of the LP one. (orig.)

  12. High Pressure Biomass Gasification

    Energy Technology Data Exchange (ETDEWEB)

    Agrawal, Pradeep K [Georgia Tech Research Corporation, Atlanta, GA (United States)

    2016-07-29

    According to the Billion Ton Report, the U.S. has a large supply of biomass available that can supplement fossil fuels for producing chemicals and transportation fuels. Agricultural waste, forest residue, and energy crops offer potential benefits: renewable feedstock, zero to low CO2 emissions depending on the specific source, and domestic supply availability. Biomass can be converted into chemicals and fuels using one of several approaches: (i) biological platform converts corn into ethanol by using depolymerization of cellulose to form sugars followed by fermentation, (ii) low-temperature pyrolysis to obtain bio-oils which must be treated to reduce oxygen content via HDO hydrodeoxygenation), and (iii) high temperature pyrolysis to produce syngas (CO + H2). This last approach consists of producing syngas using the thermal platform which can be used to produce a variety of chemicals and fuels. The goal of this project was to develop an improved understanding of the gasification of biomass at high pressure conditions and how various gasification parameters might affect the gasification behavior. Since most downstream applications of synags conversion (e.g., alcohol synthesis, Fischer-Tropsch synthesis etc) involve utilizing high pressure catalytic processes, there is an interest in carrying out the biomass gasification at high pressure which can potentially reduce the gasifier size and subsequent downstream cleaning processes. It is traditionally accepted that high pressure should increase the gasification rates (kinetic effect). There is also precedence from coal gasification literature from the 1970s that high pressure gasification would be a beneficial route to consider. Traditional approach of using thermogravimetric analyzer (TGA) or high-pressure themogravimetric analyzer (PTGA) worked well in understanding the gasification kinetics of coal gasification which was useful in designing high pressure coal gasification processes. However

  13. Photoemission studies using laboratory and synchrotron sources

    International Nuclear Information System (INIS)

    Phase, D.M.

    2012-01-01

    Synchrotron radiation sources, providing intense, polarized and stable beams of ultra violet soft and hard X-ray photons, are having great impact on physics, chemistry, biology materials science and other areas research. In particular synchrotron radiation has revolutionized photoelectron spectroscopy by enhancing its capabilities for investigating the electronic properties of solids. The first Indian synchrotron storage ring, Indus- 1 is in operation at RRCAT, Indore. The UGC-DAE CSR with the help of university scientist had designed and developed an angle integrated photoelectron spectroscopy (PES) beamline on this 450 MeV storage ring. A storage ring of this kind is most suitable for investigation in the energy range from few electron volts to around five hundred electron volts. In this lecture we will describe the details of PES beamline and its experimental station. Till date the different university users carried out photoemission measurements on variety of samples. Some of the spectra recorded by users will be presented in order to show the capability of this beamline. In the later part we will report a review of our recent research work carried out on dilute magnetic thin films using this beamline. (author)

  14. Comparative study on laser welding and TIG welding of semi-solid high pressure die cast A356 aluminium alloy

    CSIR Research Space (South Africa)

    Govender, G

    2007-07-01

    Full Text Available components. The low porosity levels in SSM high pressure die castings (HPDC) improves the weldability of these components. The aim of the current research was to perform a comparative study of laser and TIG welding of SSM HPDC aluminium alloy A356. SSM...

  15. High-pressure studies of superconductivity in BiO0. 75F0. 25BiS2

    Indian Academy of Sciences (India)

    Home; Journals; Bulletin of Materials Science; Volume 40; Issue 6. High-pressure studies of superconductivity in BiO 0.75 F 0.25 BiS 2. ZEBA HAQUE GOHIL S THAKUR GANESAN KALAI SELVAN SONACHALAM ARUMUGAM L C GUPTA A K GANGULI. Volume 40 Issue 6 October 2017 pp 1121-1125 ...

  16. Nanosizing of valsartan by high pressure homogenization to produce dissolution enhanced nanosuspension: pharmacokinetics and pharmacodyanamic study.

    Science.gov (United States)

    Gora, Shayana; Mustafa, Gulam; Sahni, Jasjeet Kaur; Ali, Javed; Baboota, Sanjula

    2016-01-01

    The purpose of the present study was to formulate and evaluate nanosuspension of Valsartan (VAL), a poorly water soluble and low bioavailable drug (solubility of 0.18 mg mL(-1); 23% of oral bioavailability) with the aim of improving the aqueous solubility thus the bioavailability and consequently better anti-hypertensive activity. Valsartan nanosuspension (VAL-NS) was prepared using high-pressure homogenization followed by lyophilisation. The screening of homogenization factors influencing nanosuspension was done by 3-factorial, 3-level Box-Behnken statistical design. Model suggested the influential role of homogenization pressure and cycles on drug nanosizing. The optimized formulation containing Poloxamer(-1)88 (PXM 188) was homogenized for 2 cycles at 500 and 1000 bar, followed by 5 cycles at 1500 bars. The size analysis and transmission electron microscopy showed nanometric size range and uniform shape of the nanosuspension. The in vitro dissolution showed an enhanced release of VAL from nanosuspension (VAL-NS) compared to physical mixture with PXM 188. Pharmacodynamic results showed that, oral administration of VAL-NS significantly lowered (p ≤ 0.001) blood pressure in comparison to non-homogenized VAL (VAL-Susp) in Wistar rat. The level of VAL in rat plasma treated with VAL-NS showed significant difference (p ≤ 0.005) in Cmax (1627.47 ± 112.05 ng mL(-1)), Tmax (2.00 h) and AUC0→24 (13279.2 ± 589.426 ng h mL(-1)) compared to VAL-Susp that was found to be 1384.73 ± 98.76 ng mL(-1), 3.00 h and 9416.24 ± 218.48 ng h mL(-1) respectively. The lower Tmax value, proved the enhanced dissolution rate of VAL. The overall results proved that newly developed VAL-NS increased the plasma bioavailability and pharmacodyanamic potential over the reference formulation containing crude VAL.

  17. Dynamic High Pressure Study of Chemistry and Physics of Molecular Materials

    Science.gov (United States)

    Jezowski, Sebastian Ryszard

    Both temperature and pressure control and influence the packing of molecules in crystalline phases. Our molecular simulations indicate that at ambient pressure, the cubic polymorph of tetracyanoethylene, TCNE, is the energetically stable form up to ˜ 160 K. The observed transition from the cubic to the monoclinic polymorph occurs however only at temperatures above ˜ 318 K due to the large transition barrier. The temperature-induced phase transition in TCNE studied with high-resolution IR spectroscopy is explained in terms of the increased vibrational entropy in the crystals of the monoclinic polymorph. Based upon the inverted design of the Merril-Bassett Diamond Anvil Cell, an improved, second generation dynamic Diamond Anvil Cell was developed. Based on the fluorescence of ruby crystals, we were able to demonstrate that the pressure variation range can be further increased at least up to 7 kbar and that the dynamic pressure compression of up to 1400 GPa/s can be achieved. A new class of mechanophoric system, bis-anthracene, BA, and its photoisomer, PI, is shown to respond reversibly to a mild, static pressure induced by a Diamond Anvil Cell as well as to shear deformation based on absorption spectroscopic measurements. The forward reaction occurs upon illumination with light while the back-reaction may be accelerated upon heating or mechanical stress, coupled to a rehybridization on four equivalent carbon atoms. It is an intriguing result as high pressure stabilizes the photodimerized species in related systems. Our molecular volume simulations ruled out significant differences in the volumes between bis-anthracene and its photoisomer. Kinetic absorption measurements at several different pressures reveal a negative volume of activation in the exothermic back-reaction at room temperature. Through a series of temperature-dependent kinetic measurements it is shown that the barrier of activation for the back-reaction is reduced by more than an order of magnitude at

  18. High pressure phase transition in Zr–Ni binary system: A first principle study

    Energy Technology Data Exchange (ETDEWEB)

    Mukherjee, Debojyoti, E-mail: debojyoti@barc.gov.in; Sahoo, B.D.; Joshi, K.D.; Gupta, Satish C.

    2015-11-05

    Total energy calculations have been performed on zirconium–nickel (with 50% nickel by atom) binary system to examine its structural stability under high pressure. The evolutionary structure search method in conjunction with density functional theory based projector augmented wave (PAW) method suggested that at zero pressure an orthorhombic phase with space group symmetry Cmcm is the lowest enthalpy structure, in agreement with the experiments. Further, it has been predicted that upon compression at ∼10 GPa, this structure will transform to a lower symmetry triclinic phase (space group P-1) which will remain stable up to ∼50 GPa, the maximum pressure of the present calculations. To support the results of our static lattice calculations, we performed lattice dynamic calculations also on Cmcm and P-1 structures. Lattice dynamic calculations correctly showed that at ambient condition the Cmcm phase is dynamically stable. Further, these calculations carried around the Cmcm to P-1 transition pressure predicted that the Cmcm phase will become unstable dynamically due to failure of acoustic zone boundary phonons, suggesting that the Cmcm to P-1 transition is phonon driven. For P-1 phase our calculations showed that this structure is dynamically stable not only at high pressures but also at ambient condition, indicating that at pressure lower than 10 GPa this phase could be a metastable structure. Further, we have calculated the elastic constants for both the phase at various pressures. - Highlights: • Pressure induced phonon driven orthorhombic to triclinic phase transformations in Zr–Ni binary system at ∼10 GPa. • Elastic and lattice dynamic stability of orthorhombic and triclinic phase. • Exploitation of evolutionary structure searching method to explore high pressure phase of Zr–Ni material.

  19. Ab Initio Study of the Structure and Stability of High-Pressure Iron-Bearing Dolomite

    Science.gov (United States)

    Solomatova, N. V.; Asimow, P. D.

    2016-12-01

    Carbon is subducted into the mantle primarily in the form of metasomatically calcium-enriched basaltic rock, calcified serpentinites and carbonaceous ooze, all of which often contain dolomite. End-member CaMg(CO3)2 dolomite typically breaks down upon compression into two carbonates at 5-6 GPa in the temperature range of 800-1200 K [1]. However, high-pressure X-ray diffraction experiments have recently shown that the presence of iron may be sufficient to stabilize high-pressure dolomite over single-cation carbonates above 35 GPa [2,3]. The structure and equation of state of high-pressure dolomite phases have been debated, creating a need for theoretical calculations. Using density functional theory interfaced with a genetic algorithm that predicts crystal structures (USPEX), we have found a monoclinic phase with space group C2/c. The C2/c structure has a lower energy than previously reported dolomite structures at relevant pressures. It is possible that this phase is not achieved experimentally due to a large energy barrier and a correspondingly large required volume drop, resulting in the transformation to metastable dolomite II. We calculate the equation of state of trigonal dolomite, dolomite III and monoclinic C2/c dolomite to 80 GPa with 0 and 50 mol% CaFe(CO3)2 and compare their enthalpies to single-carbonate assemblages. Although end-member C2/c CaMg(CO3)2 dolomite is not stable relative to single-cation carbonates, C2/c CaMg0.5Fe0.5(CO3)2 is preferred over single-cation carbonates at high pressures. Thus, iron-bearing C2/c dolomite may be an important host phase for carbon in slabs subducted into the lower mantle. [1] Shirasaka, M., et al. (2002) American Mineralogist, 87, 922-930. [2] Mao, Z. et al. (2011) Geophysical Research Letters, 38. [3] Merlini, M. et al. (2012) Proceedings of the National Academy of Sciences, 109, 13509-13514.

  20. High-pressure effects in hydrofullerene C60H36 studied by Raman spectroscopy

    International Nuclear Information System (INIS)

    Meletov, K.P.; Rossijskaya Akademiya Nauk, Chernogolovka; Tsilika, I.; Assimopoulos, S.; Kourouklis, G.A.; Ves, S.; Bashkin, I.O.; Kulakov, V.I.; Khasanov, S.S.

    2001-01-01

    The effect of hydrostatic pressure on the Raman spectrum of hydrofullerene C 60 H 36 , at room temperature has been investigated up to 12 GPa. The samples were synthesized by means of high-pressure hydrogenation. The pressure dependence of the phonon frequencies exhibits two reversible changes one at ∝0.6 GPa and another one at ∝6 GPa. The first may be probably related to a phase transition from the initial orientationally disordered bcc structure to an orientationally ordered one. The second one, at ∝6 GPa, is probably driven by pressure-induced bonding of hydrogen to a carbon atom of a neighboring hydrofullerene cage. (orig.)

  1. Experimental and Kinetic Modeling Study of C2H2Oxidation at High Pressure

    DEFF Research Database (Denmark)

    Lopez, Jorge Gimenez; Rasmussen, Christian Tihic; Hashemi, Hamid

    2016-01-01

    diagram for C2H3 + O2 by Goldsmith et al. and on new ab initio calculations, respectively. The C2H2 + HO2 reaction involves nine pressure- and temperature-dependent product channels, with formation of triplet CHCHO being dominant under most conditions. The barrier to reaction for C2H2 + O2 was found......A detailed chemical kinetic model for oxidation of acetylene at intermediate temperatures and high pressure has been developed and evaluated experimentally. The rate coefficients for the reactions of C2H2 with HO2 and O2 were investigated, based on the recent analysis of the potential energy...... to be more than 50 kcal mol−1 and predictions of the initiation temperature were not sensitive to this reaction. Experiments were conducted with C2H2/O2 mixtures highly diluted in N2 in a high-pressure flow reactor at 600–900 K and 60 bar, varying the reaction stoichiometry from very lean to fuel...

  2. Femtosecond pump-probe studies of phonons and carriers in bismuth under high pressure

    International Nuclear Information System (INIS)

    Kasami, M.; Ogino, T.; Mishina, T.; Yamamoto, S.; Nakahara, J.

    2006-01-01

    We investigate the high-pressure phase of Bi under hydrostatic pressure using pump-probe spectroscopy at pressures up to 3.0 GPa, and we observe coherent phonons signal and relaxation signal of photo-excited carriers at Bi(II) and Bi(III) phases. The pressure dependence of the coherent phonons shows that the amplitude of coherent phonons is extremely small and the frequency of coherent phonons changes at high-pressure phases. As results from our experiment, we obtain its frequencies are 2.5 and 2.2 THz at Bi(II) and Bi(III), respectively. Furthermore, photo-excited carrier relaxation indicates drastic changes near 2.5 GPa. Bismuth transforms from semimetal to semiconductor near 2.5 GPa, and band-overlapping between at L-point and at T-point disappears. We consider that the drastic changes of the photo-excited carrier relaxation are strongly correlated with the band-overlapping disappearing

  3. High-pressure measuring cell for Raman spectroscopic studies of natural gas

    DEFF Research Database (Denmark)

    Hansen, Susanne Brunsgaard; Berg, Rolf W.; Stenby, Erling Halfdan

    2001-01-01

    A system for obtaining Raman spectra of gases at high pressure has been constructed. In order to ensure that a natural gas sample is totally representative, a high-pressure gas-measuring cell has been developed, built up by stainless steel fittings and a sapphire tube. The design and construction...... of this cell are described. A perfect pressure seal has been demonstrated up to 15.0 MPaA (MPa absolute). The cell has been successfully used to obtain Raman spectra of natural gas samples. Some of these spectra are presented and assigned. The most remarkable observation in the spectra is that it is possible...... to detect hydrogen sulfide at concentrations of 1-3 mg H2S/Nm(3). An attempt to make a quantitative analysis of natural gas by the so-called "ratio method" is presented. In addition to this, the relative normalized differential Raman scattering cross sections for ethane and i-butane molecules at 8.0 MPa...

  4. Equations of states for an ionic liquid under high pressure: A molecular dynamics simulation study

    International Nuclear Information System (INIS)

    Ribeiro, Mauro C.C.; Pádua, Agílio A.H.; Gomes, Margarida F.C.

    2014-01-01

    Highlights: • We compare different equation of states, EoS, for an ionic liquid under high pressure. • Molecular dynamics, MD, simulations have been used to evaluate the best EoS. • MD simulations show that a group contribution model can be extrapolated to P ∼ 1.0 GPa. • A perturbed hard-sphere EoS also fits the densities calculated by MD simulations. - Abstract: The high-pressure dependence of density given by empirical equation of states (EoS) for the ionic liquid 1-butyl-3-methylimidazolium trifluoromethanesulfonate (or triflate), [C 4 C 1 im][TfO], is compared with results obtained by molecular dynamics (MD) simulations. Two EoS proposed for [C 4 C 1 im][TfO] in the pressure range of tens of MPa, which give very different densities when extrapolated to pressures beyond the original experiments, are compared with a group contribution model (GCM). The MD simulations provide support that one of the empirical EoS and the GCM is valid in the pressure range of hundreds of MPa. As an alternative to these EoS that are based on modified Tait equations, it is shown that a perturbed hard-sphere EoS based on the Carnahan–Starling–van der Waals equation also fits the densities calculated by MD simulations of [C 4 C 1 im][TfO] up to ∼1.0 GPa

  5. Ab initio study of properties of BaBiO3 at high pressure

    Science.gov (United States)

    Martoňák, Roman; Ceresoli, Davide; Kagayama, Tomoko; Tosatti, Erio

    BaBiO3 is a mixed-valence perovskite which escapes metallic state by creating a Bi-O bond disproportionation or CDW pattern, resulting in a Peierls semiconductor with gap of nearly 1 eV at zero pressure. Evolution of structural and electronic properties at high pressure is, however, largely unknown. Pressure, it might be natural to expect, could reduce the bond-disproportionation and bring the system closer to metalicity or even superconductivity. We address this question by ab initio DFT methods based on GGA and hybrid functionals in combination with crystal structure prediction techniques based on genetic algorithms. We analyze the pressure evolution of bond disproportionation as well as other order parameters related to octahedra rotation for various phases in connection with corresponding evolution of the electronic structure. Results indicate that BaBiO3 continues to resist metalization also under pressure, through structural phase transitions which sustain and in fact increase the diversity of length of Bi-O bonds for neighboring Bi ions, in agreement with preliminary high pressure resistivity data. R.M. Slovak Research and Development Agency Contract APVV-15-0496, VEGA project No. 1-0904-15; E.T. ERC MODPHYSFRICT Advanced Grant No. 320796.

  6. First-principles study of the elastic and thermodynamic properties of thorium hydrides at high pressure

    International Nuclear Information System (INIS)

    Zhang Xiao-Lin; Wu Yuan-Yuan; Shao Xiao-Hong; Lu Yong; Zhang Ping

    2016-01-01

    The high pressure behaviors of Th 4 H 15 and ThH 2 are investigated by using the first-principles calculations based on the density functional theory (DFT). From the energy–volume relations, the bct phase of ThH 2 is more stable than the fcc phase at ambient conditions. At high pressure, the bct ThH 2 and bcc Th 4 H 15 phases are more brittle than they are at ambient pressure from the calculated elastic constants and the Poisson ratio. The thermodynamic stability of the bct phase ThH 2 is determined from the calculated phonon dispersion. In the pressure domain of interest, the phonon dispersions of bcc Th 4 H 15 and bct ThH 2 are positive, indicating the dynamical stability of these two phases, while the fcc ThH 2 is unstable. The thermodynamic properties including the lattice vibration energy, entropy, and specific heat are predicted for these stable phases. The vibrational free energy decreases with the increase of the temperature, and the entropy and the heat capacity are proportional to the temperature and inversely proportional to the pressure. As the pressure increases, the resistance to the external pressure is strengthened for Th 4 H 15 and ThH 2 . (paper)

  7. High pressure study of high temperatures superconductors: Material base, universal Tc-behavior, and charge transfer

    International Nuclear Information System (INIS)

    Chu, C.W.; Hor, P.H.; Lin, J.G.; Xiong, Q.; Huang, Z.J.; Meng, R.L.; Xue, Y.Y.; Jean, Y.C.

    1991-01-01

    The superconducting transition temperature (T c ) has been measured in YBa 2 Cu 3 O 6.7 , YBa 2 Cu 3 O 7 , Y 2 Ba 4 Cu 7 O 15 , YBa 2 Cu 4 O 8 , Tl 2 Ba 2 Ca n-1 Cu n O n+4-δ , La 2-x Sr x CuO 4 , and La 2-x Ba x CuO 4 under high pressures. The pressure effect on the positron lifetime (τ) has also been determined in the first four compounds. Based on these and other high pressure data, the authors suggest that (1) all known cuprate high temperature superconductors (HTS's) may be no more than mere modifications of either 214-T, 214-T', 123, or a combination of 214-T' and 123, (2) a nonmonotonic T c -behavior may govern the T c -variation of all hole cuprate HTS's and (3) pressure can induce charge transfer leading to a T c -change. The implications of these suggestions will also be discussed

  8. First-principles study of the elastic and thermodynamic properties of thorium hydrides at high pressure

    Science.gov (United States)

    Xiao-Lin, Zhang; Yuan-Yuan, Wu; Xiao-Hong, Shao; Yong, Lu; Ping, Zhang

    2016-05-01

    The high pressure behaviors of Th4H15 and ThH2 are investigated by using the first-principles calculations based on the density functional theory (DFT). From the energy-volume relations, the bct phase of ThH2 is more stable than the fcc phase at ambient conditions. At high pressure, the bct ThH2 and bcc Th4H15 phases are more brittle than they are at ambient pressure from the calculated elastic constants and the Poisson ratio. The thermodynamic stability of the bct phase ThH2 is determined from the calculated phonon dispersion. In the pressure domain of interest, the phonon dispersions of bcc Th4H15 and bct ThH2 are positive, indicating the dynamical stability of these two phases, while the fcc ThH2 is unstable. The thermodynamic properties including the lattice vibration energy, entropy, and specific heat are predicted for these stable phases. The vibrational free energy decreases with the increase of the temperature, and the entropy and the heat capacity are proportional to the temperature and inversely proportional to the pressure. As the pressure increases, the resistance to the external pressure is strengthened for Th4H15 and ThH2. Project supported by the Long-Term Subsidy Mechanism from the Ministry of Finance and the Ministry of Education of China.

  9. High-Pressure Study of Perovskites and Postperovskites in the (Mg,Fe)GeO 3 System

    Energy Technology Data Exchange (ETDEWEB)

    Stan, Camelia V.; Dutta, Rajkrishna; Cava, Robert J.; Prakapenka, Vitali B.; Duffy, Thomas S. (Princeton); (UC)

    2017-06-22

    The effect of incorporation of Fe2+ on the perovskite (Pbnm) and postperovskite (Cmcm) structures was investigated in the (Mg,Fe)GeO3 system at high pressures and temperatures using laser-heated diamond anvil cell and synchrotron X-ray diffraction. Samples with compositions of Mg# ≥ 48 were shown to transform to the perovskite (~30 GPa and ~1500 K) and postperovskite (>55 GPa, ~1600–1800 K) structures. Compositions with Mg# ≥ 78 formed single-phase perovskite and postperovskite, whereas those with Mg# < 78 showed evidence for partial decomposition. The incorporation of Fe into the perovskite structure causes a decrease in octahedral distortion as well as a modest decrease in bulk modulus (K0) and a modest increase in zero-pressure volume (V0). It also leads to a decrease in the perovskite-to-postperovskite phase transition pressure by ~9.5 GPa over compositions from Mg#78 to Mg#100.

  10. High-Pressure X-ray Diffraction Study of Tungsten Diselenide

    International Nuclear Information System (INIS)

    Selvi, E.; Aksoy, R.; Knudson, R.; Ma, Y.

    2008-01-01

    Synchrotron X-ray diffraction was used in conjunction with a diamond anvil cell to investigate the properties of a tungsten diselenide (WSe2) sample to 35.8 GPa at room temperature. By fitting the pressure-volume data to the third-order Birch-Murnaghan equation of state, the bulk modulus, K0T, of WSe2 was determined to be 72±1 GPa with its pressure derivative, K(prime) 0T , being 4.1±0.1. It was also found that the c-direction of the hexagonal structure is significantly more compressible than the a-direction. No phase transformation was clearly observed in the pressure range of our measurements.

  11. In-situ study of the thermal properties of hydrate slurry by high pressure DSC

    Energy Technology Data Exchange (ETDEWEB)

    Sari, O.; Hu, J.; Brun, F.; Erbeau, N. [Institute of Thermal Engineering, University of Applied Sciences of Western Switzerland, Yverdon-les-Bains (Switzerland); Homsy, P. [Nestec, Vevey (Switzerland); Logel, J.-C. [Axima Refrigeration, Bischheim (France)

    2008-07-01

    Knowing the enthalpy of hydrate slurry is very essential for energy balance and industrial applications. No direct measurement processes had been developed in this field in the past time. A new experimental method with special device has been developed to carry out on-line measurement of the thermal properties for hydrate slurry under dynamic conditions. With this special device, it is possible to deliver the hydrate slurry to the high pressure DSC (Differential Scanning Calorimetry) directly from the production tank or pipes. Thermal data acquisition will be performed afterwards by DSC. The investigated conditions were at pressure of 30 bar and temperature of {approx}+7 {sup o}C. The dissociation enthalpy of CO{sub 2} hydrate slurry was about 54 kJ/kg, corresponding 10.8% of solid fraction. The on-line measurement results for CO{sub 2} hydrate slurry give a good tendency to apply this phase change slurry to the industrial refrigeration process. (author)

  12. Moessbauer high pressure and magnetic field studies of the superconductor FeSe

    Energy Technology Data Exchange (ETDEWEB)

    Ksenofontov, Vadim; Felser, Claudia [Institute of Inorganic and Analytical Chemistry, Johannes Gutenberg - University, Mainz (Germany); Wortmann, Gerhard [Department of Physics, University of Paderborn, Paderborn (Germany); Trojan, Ivan; Palasyuk, Taras; Medvedev, Sergey; Eremets, Michail [Max-Planck-Institute for Chemistry, Mainz (Germany); McQueen, Tyrel M.; Cava, Richard J. [Department of Chemistry, Princeton University, Princeton (United States)

    2010-07-01

    Superconducting FeSe has been investigated by Moessbauer spectroscopy applying high pressure and strong external magnetic fields. It was found that pressure-induced structural phase transition between tetragonal and hexagonal modifications is accompanied by increased distortion of local surrounding of Fe atoms. Appearance of the hexagonal phase above 7.2 GPa is accompanied by degradation of superconducting properties of FeSe. Low-temperature measurements demonstrated that the ground states in both orthorhombic and hexagonal phases of FeSe are nonmagnetic. Moessbauer measurements in the external magnetic field below transition to the superconducting state revealed zero electron spin density on Fe atoms. Interpretation of Moessbauer spectra of FeSe in the Shubnikov phase is discussed.

  13. The study on density change of carbon dioxide seawater solution at high pressure and low temperature

    International Nuclear Information System (INIS)

    Song, Y.; Chen, B.; Nishio, M.; Akai, M.

    2005-01-01

    It has been widely considered that the global warming, induced by the increasing concentration of carbon dioxide and other greenhouse gases in the atmosphere, is an environmental task affecting the world economic development. In order to mitigate the concentration of CO 2 in the atmosphere, the sequestration of carbon dioxide into the ocean had been investigated theoretically and experimentally over the last 10 years. In addition to ocean dynamics, ocean geological, and biological information on large space and long time scales, the physical-chemistry properties of seawater-carbon dioxide system at high pressure (P>5.0 MPa) and lower temperature (274.15 K 3 , which is approximately same with that of carbon dioxide freshwater solution, the slope of which is 0.275 g/cm 3

  14. High pressure studies of YMn{sub 2} Laves phase and its deuterides

    Energy Technology Data Exchange (ETDEWEB)

    Sugiura, H.; Paul-Boncour, V.; Percheron-Guegan, A.; Marchuk, I.; Hirata, T.; Filipek, S.M.; Dorogova, M

    2004-03-24

    The C15 Laves phase intermetallic YMn{sub 2} and its deuterides containing 1.15, 2, 3.4 and 4 deuterium (D) atoms per formula unit (pfu) (the structure of YMn{sub 2}D{sub 4} is rhombohedral whereas other three deuterides preserve the cubic C15 structure) were compressed up to 31 GPa by using diamond anvil cell (DAC). Parameters of equation of state (EOS) were derived for all phases investigated. The discontinuous change of bulk modulus under high pressure has been revealed for all samples investigated. Two deuterides, YMn{sub 2}D{sub 1.15} and YMn{sub 2}D{sub 2}, decomposed reversibly under pressure into two phases: poor and enriched in deuterium.

  15. A Numerical Study on the Impeller Meridional Curvature of High Pressure Multistage Pump

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Deok Su; Jean, Sang Gyu; Mamatov, Sanjar [Hyosung Goodsprings, Inc., Busan (Korea, Republic of); Park, Warn Gyu [Pusan Nat’l Univ., Busan (Korea, Republic of)

    2017-07-15

    This paper presents the hydraulic design an impeller and radial diffuser of a high-pressure multistage pump for reverse osmosis. The flow distribution and hydraulic performance for the meridional design of the impeller were analyzed numerically. Optimization was conducted based on the response surface method by varying the hub and shroud meridional curvatures, while maintaining the impeller outlet diameter, outlet width, and eye diameter constant. The analysis results of the head and efficiency with the variation in the impeller meridional profile showed that angle of the front shroud near the impeller outlet (εDs) had the highest effect on head increase, while the hub inlet length (d1i) and shroud curvature (Rds) had the highest effect on efficiency. From the meridional profile variation, an approximately 0.5% increase in efficiency was observed compared with the base model (case 25).

  16. Experimental study on capacitance void fraction meters for high temperature and high pressure conditions

    International Nuclear Information System (INIS)

    Watanabe, Hironori; Mitsutake, Toru; Shibata, Mitsuhiko; Takase, Kazuyuki

    2010-01-01

    The electro-void fraction meter (Capacitance type meter) was applied to higher pressure conditions of 18 MPa than BWR operating conditions of 7 MPa. The void fraction measurement system has been developed including the electrodes of void fraction measurement, instrumentation cables with mineral insulation and simplified electric circuit to provide good signal-to-noise ratio. It satisfied the performance of thermal and pressure resistance and electric insulating capacity. Calibration function for high temperature and high pressure conditions was confirmed through calibration test with 37-rod bundle against datum 19-rod bundle by the quick-shut valve method respectively under 2 MPa conditions. It was confirmed that the measured data were consistent with those measured by the quick-shut valve method. (author)

  17. Fundamentals of high pressure adsorption

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Y.P.; Zhou, L. [Tianjin University, Tianjin (China). High Pressure Adsorption Laboratory

    2009-12-15

    High-pressure adsorption attracts research interests following the world's attention to alternative fuels, and it exerts essential effect on the study of hydrogen/methane storage and the development of novel materials addressing to the storage. However, theoretical puzzles in high-pressure adsorption hindered the progress of application studies. Therefore, the present paper addresses the major theoretical problems that challenged researchers: i.e., how to model the isotherms with maximum observed in high-pressure adsorption; what is the adsorption mechanism at high pressures; how do we determine the quantity of absolute adsorption based on experimental data. Ideology and methods to tackle these problems are elucidated, which lead to new insights into the nature of high-pressure adsorption and progress in application studies, for example, in modeling multicomponent adsorption, hydrogen storage, natural gas storage, and coalbed methane enrichment, was achieved.

  18. High-Pressure Synthesis and Study of NO+NO3− and NO2+NO3− Ionic Solids

    Directory of Open Access Journals (Sweden)

    A. Yu. Kuznetsov

    2009-01-01

    Full Text Available Nitrosonium-nitrate NO+NO3− and dinitrogen pentoxide NO2+NO3− ionic crystals were synthesized by laser heating of a condensed oxygen-rich O2-N2 mixture compressed to different pressures, up to 40 GPa, in a diamond anvil cell (DAC. High-pressure/high-temperature Raman and X-ray diffraction studies of synthesized samples disclosed a transformation of NO+NO3− compound to NO2+NO3− crystal at temperatures above ambient and pressures below 9 GPa. High-pressure experiments revealed previously unreported bands in Raman spectra of NO+NO3− and NO2+NO3− ionic crystals. Structural properties of both ionic compounds are analyzed. Obtained experimental results support a hypothesis of a rotational disorder of NO+ complexes in NO+NO3− and indicate a rotational disorder of ionic complexes in NO2+NO3− solid.

  19. Study of beam dynamics at cooler synchrotron TARN-II

    International Nuclear Information System (INIS)

    Watanabe, S.; Katayama, T.; Watanabe, T.; Yoshizawa, M.; Tomizawa, M.; Chida, K.; Arakaki, Y.; Noda, K.; Kanazawa, M.

    1992-08-01

    Several kinds of beam diagnostic instruments, have been developed at cooler-synchrotron TARN-II. These are intended to study beam dynamics at low beam current of several microamperes and then have high sensitivity of good S/N ratio. In addition, the acceleration system, especially low level RF system, has been improved to attain the maximum beam energy. With the successful performance of these instrumentations, the study of beam dynamics are presently being carried out. For example, the synchrotron acceleration of the light ions was achieved up to 220 MeV/u without any beam loss. (author)

  20. Study on maturation process of huminitic organic matter by means of high-pressure experiments

    Energy Technology Data Exchange (ETDEWEB)

    Horvath, Z.A.

    1983-01-01

    Two different series of artificial coalification experiments were made using high pressure bombs. The first series was carried out with a lignite coal of Pliocene age in open and closed systems under the following conditions: duration: one week, load pressure: 1.5 and 10 kbar: temperature: 90, 120, 160 and 200 C, respectively. In the second series of experiments the behaviour of multipopulate vitrinite material in sedimentary rocks was simulated. This was realized by a coal mixture made from four different types of coal of various rank. This starting material was treated under the same conditions as the samples of the first series. The degree of coalification was followed by the random reflectance of the vitrinitic microcomponents of coal. The experimental results show that temperature and duration of the run are the primary factors to increase the rank while the role of load pressure is negligible. The only effect of volatile pressure is to retain the increase of coalification in closed system (as a consequence of the Le Chatelier-Brown principle).

  1. Determination of the partial pressure of thallium in high-pressure lamp arcs: A comparative study

    International Nuclear Information System (INIS)

    Karabourniotis, D.; Couris, S.; Damelincourt, J.J.; Aubes, M.

    1986-01-01

    The partial pressure of thallium in high-pressure Hg-TlI discharges with different mercury, thallium, and electron pressures has been measured by using the optically thin line Tl 655 nm and the self-reversed line Tl 535 nm. The partial pressure of the arc axis has been measured from the line Tl 655nm. The effective partial pressure has been measured from the self-reversed line Tl 535 nm on the basis of the multiparameter method, and it has been calculated from the known axis pressure of thallium and the calculation of its radial variation by taking into account the chemical reactions. The experimental results confirm the dispersion character of the blue wing of the line Tl 535 nm. The systematic difference obtained between the measured and calculated effective pressure, particularly at the moment of minimum electron density, may be interpreted by deviations from the local thermodynamic equilibrium (LTE) caused by overpopulation of the upper level of the line Tl 535 nm

  2. Theoretical study of stability and superconductivity of ScHn (n =4 -8 ) at high pressure

    Science.gov (United States)

    Qian, Shifeng; Sheng, Xiaowei; Yan, Xiaozhen; Chen, Yangmei; Song, Bo

    2017-09-01

    The synthesis of hydrogen sulfides, with the potential of high-temperature superconductivity, was recently proposed at high Tc = 203 K. It motivated us to employ an ab initio approach for the predictions of crystal structures to find the stable scandium hydrides. In addition to the earlier predicted three stoichiometries of ScH, ScH2, and ScH3, we identify three other metallic stoichiometries of ScH4, ScH6, and ScH8, which show superconductivity at significantly higher temperatures. The phases of ScH4 and ScH6, whose stability does not require extremely high pressures (ZPE), are primarily ionic compounds containing exotic quasimolecular H2 arrangements. The present electron-phonon calculations revealed the superconductive potential of ScH4 and ScH6 with estimated Tc of 98 K and 129 K at 200 GPa and 130 GPa, respectively. The superconductivity of ScHn stems from the large electron-phonon coupling associated with the wagging, bending, and intermediate-frequency modes attributed mainly to the hydrogen atoms.

  3. High-pressure EXAFS study of vitreous GeO2 up to 44 GPa

    International Nuclear Information System (INIS)

    Baldini, M.; Aquilanti, G.; Mao, H-k.; Yang, W.; Shen, G.; Pascarelli, S.; Mao, W. L.

    2010-01-01

    High-pressure extended x-ray absorption fine-structure measurements were performed on amorphous GeO 2 over increasing and decreasing pressure cycles at pressures up to 44 GPa. Several structural models based on crystalline phases with fourfold, fivefold, and sixfold coordination were used to fit the Ge-O first shell. The Ge-O bond lengths gradually increased up to 30 GPa. Three different pressure regimes were identified in the pressure evolution of the Ge-O bond distances. Below 13 GPa, the local structure was well described by a fourfold 'quartzlike' model whereas a disordered region formed by a mixture of four- and five-coordinated germanium-centered polyhedra was observed in the intermediate pressure range between 13 and 30 GPa. Above 30 GPa the structural transition to the maximum coordination could be considered complete. The present results shed light on the GeO 2 densification process and on the nature of the amorphous-amorphous transition, suggesting that the transition is more gradual and continuous than what has been previously reported.

  4. Study on heat transfer process during leaks of high pressure argon through a realistic crack

    International Nuclear Information System (INIS)

    Ai, Gang; Liu, Yinghua; Wah Ng, Heong

    2016-01-01

    This paper proposes a method for simulating the heat transfer process of high pressure argon gas leaking through a narrow crack which causes the Joule-Thomson cooling effect (JT cooling effect). A once-through (decoupled) model was developed to firstly calculate the gas pressure drop at different crack depth, followed by the temperature drop. A MATLAB code was also developed to iteratively calculate the properties of leaking gas in a crack which was fitted as formula as boundary conditions in heat transfer simulation in COMSOL program. The simulated lowest temperature of the test plate in the vicinity of the crack is 13.8 C after decreasing from the temperature of 30 C with initial argon gas pressure of 91 bar. An experiment test rig designed and tested under the same conditions showed a good agreement between the simulation and experiment at the obtained lowest temperature in the test plate. The method is useful for predicting the lowest temperature in the vicinity of the crack caused by the JT cooling effect. (authors)

  5. A High-Pressure Study of Manganese Metal and its Reactions with CO2 at 6, 23, and 44 GPa

    Science.gov (United States)

    Sawchuk, K. L. S.; McGuire, C. P.; Greenburg, A.; Makhluf, A.; Kavner, A.

    2017-12-01

    The free energies of formation of oxides and carbonates at the extreme pressures and temperatures of Earth's interior provides some of the thermodynamic constrains for models of mantle/core formation and subsequent chemical evolution. The broad goal of our research program is to measure the pressure- and temperature-dependence of free energies of formation of transition metal oxides and carbonates. This requires measurements of the phase stability, density, and thermoelastic properties of metals, oxides, and carbonates at deep-Earth and planetary conditions. Manganese is of interest because it is one of the most abundant transition metal geochemical tracers, it readily forms a carbonate at ambient pressure, and its high-pressure carbonate and oxide densities and equation of state parameters are relatively unknown. Here we report new data on the pressure/volume equation of state and structure of manganese metal as well as its reactions with CO2. These measurements were made using a laser heated diamond anvil cell in conjunction with synchrotron-based X-ray diffraction at beamline 12.2.2 at the Advanced Light Source. Three samples of manganese metal were gas-loaded in a CO2 pressure medium and pressurized to 6, 23, and 44 GPa. Upon laser heating, the CO2 reacted with the Mn metal generating new phases. To analyze the diffraction patterns, we we use a python-based program developed in-house for extracting high resolution 2-dimensional diffraction peak position and intensity information from two-dimensional X-ray diffraction patterns. At each pressure step, the structure and density of the quenched Mn metal phase was determined. At 6 GPa, Mn metal adopts a BCC structure, and at 23 GPa a tetragonal distortion is observed in the lattice. The measured equation of state is in good agreement with an existing meaurement by Fujihisa and Takemura (1995). MnCO3 rhodochrosite is observed in the sample quenched after heating at 6 GPa. Additional high pressure phases are evident

  6. A study of the pressure profiles near the first pumping aperture in a high pressure photoelectron spectrometer

    Energy Technology Data Exchange (ETDEWEB)

    Kahk, J. Matthias; Villar-Garcia, Ignacio J. [Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ (United Kingdom); Grechy, Lorenza; Bruce, Paul J.K.; Vincent, Peter E. [Department of Aeronautics, Imperial College London, London SW7 2AZ (United Kingdom); Eriksson, Susanna K. [Department of Chemistry-Ångström, Uppsala University, Box 523, 751 20 Uppsala (Sweden); Rensmo, Håkan; Hahlin, Maria [Department of Physics and Astronomy, Uppsala University, Box 516, 751 20 Uppsala (Sweden); Åhlund, John; Edwards, Mårten O.M. [VG Scienta AB, Box 15120, 750 15 Uppsala (Sweden); Payne, David J., E-mail: d.payne@imperial.ac.uk [Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ (United Kingdom)

    2015-11-15

    Highlights: • We have examined pressure variations in a high pressure photoelectron spectrometer. • Pressure profiles have been simulated using computational fluid dynamics modelling. • The results are useful for determining the optimal sample position for measurements. - Abstract: In a high-pressure photoelectron spectrometer, the sample is positioned close to a differential pumping aperture, behind which the pressure is several orders of magnitude lower than the pressure in the analysis chamber. To find the optimal sample position, where the path length of the photoelectrons through the high pressure region is minimized as far as possible without compromising knowledge of the actual pressure at the sample surface, an understanding of the pressure variations near the sample and the aperture is required. A computational fluid dynamics study has been carried out to examine the pressure profiles, and the results are compared against experimental spectra whose intensities are analyzed using the Beer–Lambert law. The resultant pressure profiles are broadly similar to the one previously derived from a simplistic molecular flow model, but indicate that as the pressure in the analysis chamber is raised, the region over which the pressure drop occurs becomes progressively narrower.

  7. A study of the pressure profiles near the first pumping aperture in a high pressure photoelectron spectrometer

    International Nuclear Information System (INIS)

    Kahk, J. Matthias; Villar-Garcia, Ignacio J.; Grechy, Lorenza; Bruce, Paul J.K.; Vincent, Peter E.; Eriksson, Susanna K.; Rensmo, Håkan; Hahlin, Maria; Åhlund, John; Edwards, Mårten O.M.; Payne, David J.

    2015-01-01

    Highlights: • We have examined pressure variations in a high pressure photoelectron spectrometer. • Pressure profiles have been simulated using computational fluid dynamics modelling. • The results are useful for determining the optimal sample position for measurements. - Abstract: In a high-pressure photoelectron spectrometer, the sample is positioned close to a differential pumping aperture, behind which the pressure is several orders of magnitude lower than the pressure in the analysis chamber. To find the optimal sample position, where the path length of the photoelectrons through the high pressure region is minimized as far as possible without compromising knowledge of the actual pressure at the sample surface, an understanding of the pressure variations near the sample and the aperture is required. A computational fluid dynamics study has been carried out to examine the pressure profiles, and the results are compared against experimental spectra whose intensities are analyzed using the Beer–Lambert law. The resultant pressure profiles are broadly similar to the one previously derived from a simplistic molecular flow model, but indicate that as the pressure in the analysis chamber is raised, the region over which the pressure drop occurs becomes progressively narrower.

  8. Monochromatization of synchrotron radiation for studies in photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Murty, P.S.

    1981-01-01

    Synchrotron radiation provides a tunable photon source which bridges the wavelength gap between HeI and AlKsub(α) radiation sources in photoelectron spectroscopy. The essential component for using synchrotron radiation is a monochromator. Some design features of the monochromators fabricated at Stanford, U.S.A., and Orsay, France, are described. The Stanford monochromator is a silicon crystal monochromator yielding 8 keV X-ray beam and is used with SPEAR storage ring facility, while the Orsay monochromator is a grazing incidence grating monochromator used for UPS studies. (M.G.B.)

  9. High resolution microdiffraction studies using synchrotron radiation

    Science.gov (United States)

    Spolenak, R.; Tamura, N.; Valek, B. C.; MacDowell, A. A.; Celestre, R. S.; Padmore, H. A.; Brown, W. L.; Marieb, T.; Batterman, B. W.; Patel, J. R.

    2002-04-01

    The advent of third generation synchrotron light sources in combination with x-ray focusing devices such as Kirkpatrick-Baez mirrors make Laue diffraction on a submicron length scale possible. Analysis of Laue images enables us to determine the deviatoric part of the 3D strain tensor to an accuracy of 2×10-4 in strain with a spatial resolution comparable to the grain size in our thin films. In this paper the application of x-ray microdiffraction to the temperature dependence of the mechanical behavior of a sputtered blanket Cu film and of electroplated damascene Cu lines will be presented. Microdiffraction reveals very large variations in the strain of a film or line from grain to grain. When the strain is averaged over a macroscopic region the results are in good agreement with direct macroscopic stress measurements. However, the strain variations are so large that in some cases in which the average stress is tensile there are some grains actually under compression. The full implications of these observations are still being considered, but it is clear that the mechanical properties of thin film materials are now accessible with new visibility.

  10. Spectroscopic Study of the Effects of Pressure Media on High-Pressure Phase Transitions in Natrolite

    Energy Technology Data Exchange (ETDEWEB)

    D Liu; W Lei; Z Liu; Y Lee

    2011-12-31

    Structural phase transitions in natrolite have been investigated as a function of pressure and different hydrostatic media using micro-Raman scattering and synchrotron infrared (IR) spectroscopy. Natrolite undergoes two reversible phase transitions at 0.86 and 1.53 GPa under pure water pressure medium. These phase transitions are characterized by the changes in the vibrational frequencies of four- and eight-membered rings related to the variations in the bridging T-O-T angles and the geometry of the elliptical eight-ring channels under pressure. Concomitant to the changes in the framework vibrational modes, the number of the O-H stretching vibrational modes of natrolite changes as a result of the rearrangements of the hydrogen bonds in the channels caused by a successive increase in the hydration level under hydrostatic pressure. Similar phase transitions were also observed at relatively higher pressures (1.13 and 1.59 GPa) under alcohol-water pressure medium. Furthermore, no phase transition was found up to 2.52 GPa if a lower volume ratio of the alcohol-water to natrolite was employed. This indicates that the water content in the pressure media plays a crucial role in triggering the pressure-induced phase transitions in natrolite. In addition, the average of the mode Grueneisen parameters is calculated to be about 0.6, while the thermodynamic Grueneisen parameter is found to be 1.33. This might be attributed to the contrast in the rigidity between the TO{sub 4} tetrahedral primary building units and other flexible secondary building units in the natrolite framework upon compression and subsequent water insertion.

  11. High Pressure Research on Materials

    Indian Academy of Sciences (India)

    example, represents the stress on the x plane in the y direction. There are three .... optical studies and studying compressibility of fluids. 3.2 Opposed ..... [4] G N Peggs, High Pressure Measurement Techniques, Applied Science. Publishers ...

  12. Multiple scattering in synchrotron studies of disordered materials

    International Nuclear Information System (INIS)

    Poulsen, H.F.; Neuefeind, J.

    1995-01-01

    A formalism for the multiple scattering and self-absorption in synchrotron studies of disordered materials is presented. The formalism goes beyond conventionally used approximations and treat the cross sections, the beam characteristics, the state of polarization, and the electronic correction terms in full. Using hard X-rays it is shown how the simulated distributions can be directly compared to experimental data. ((orig.))

  13. High Pressure In Situ X-ray Diffraction Study of MnO to 120 GPa and Comparison with Shock Compression Experiment

    Science.gov (United States)

    Yagi, Takehiko; Kondo, Tadashi; Syono, Yasuhiko

    1997-07-01

    In order to clarify the nature of the phase transformation in MnO observed at around 90 GPa by shock compression experiment (Syono et al., this symposium), high pressure in situ x-ray experiments were carried out up to 120 GPa. Powdered sample was directly compressed in Mao-Bell type diamond anvil and x-ray experiments were carried out using angle dispersive technique by combining synchrotron radiation and imaging plate detector. Distortion of the B1 structured phase into hexagonal unit cell was observed from 25-40 GPa, which continues to increase up to 90 GPa. At around 90 GPa, discontinuous change of the diffraction was observed. This new phase cannot be explained by a simple B2 structure and the analysis of this phase is in progress. This high pressure phase has metallic appearance, which reverses to transparent MnO on release of pressure.

  14. SrWO4 at high pressures

    International Nuclear Information System (INIS)

    Grzechnik, A.; Crichton, W.A.; Hanfland, M.

    2005-01-01

    Room-temperature high-pressure behaviour of SrWO 4 scheelite (I4 1 /a, Z=4) has been studied to 20.7 GPa in a diamond anvil cell using synchrotron angle-dispersive X-ray powder diffraction. Above 10 GPa, it transforms to the fergusonite structure (I2/a, Z=4). Both scheelite and fergusonite types are ordered superstructures of fluorite (Fm anti 3m, Z=4). There is no significant volume collapse at the scheelite-fergusonite phase transition. However, the compression data including both phases of strontium tungstate cannot be fitted by a common Birch-Murnaghan equation of state. An onset of decomposition into component oxides occurs at about 15 GPa. The pressure-induced transformations are irreversible. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  15. A new phase of ThC at high pressure predicted from a first-principles study

    Science.gov (United States)

    Guo, Yongliang; Qiu, Wujie; Ke, Xuezhi; Huai, Ping; Cheng, Cheng; Han, Han; Ren, Cuilan; Zhu, Zhiyuan

    2015-08-01

    The phase transition of thorium monocarbide (ThC) at high pressure has been studied by means of density functional theory. Through structure search, a new phase with space group P 4 / nmm has been predicted. The calculated phonons demonstrate that this new phase and the previous B2 phase are dynamically stable as the external pressure is greater than 60 GPa and 120 GPa, respectively. The transformation from B1 to P 4 / nmm is predicted to be a first-order transition, while that from P 4 / nmm to B2 is found to be a second-order transition.

  16. Note: A micro-perfusion system for use during real-time physiological studies under high pressure

    Science.gov (United States)

    Maltas, Jeff; Long, Zac; Huff, Alison; Maloney, Ryan; Ryan, Jordan; Urayama, Paul

    2014-10-01

    We construct a micro-perfusion system using piston screw pump generators for use during real-time, high-pressure physiological studies. Perfusion is achieved using two generators, with one generator being compressed while the other is retracted, thus maintaining pressurization while producing fluid flow. We demonstrate control over perfusion rates in the 10-μl/s range and the ability to change between fluid reservoirs at up to 50 MPa. We validate the screw-pump approach by monitoring the cyanide-induced response of UV-excited autofluorescence from Saccharomyces cerevisiae under pressurization.

  17. Optical study on metal-insulator change in PrFe4P12 under high pressure

    International Nuclear Information System (INIS)

    Irizawa, Akinori; Sato, Kazuyuki; Kobayashi, Masayo; Nanba, Takao; Matsunami, Masaharu; Sugawara, Hitoshi; Sato, Hideyuki

    2007-01-01

    The optical study has been performed on filled-skutterudite PrFe 4 P 12 applying pressure up to 16 GPa. The reflectivity at far-infrared (FIR) region showed that the metallic reflectivity looses its intensity and the weak phonon peaks at ambient pressure become prominent with pressures at lower temperature. It insists that the electronic states near Fermi level in this compound changes drastically from metallic properties to insulating ones at high pressures and low temperatures, and the insulating phase persists up to 16 GPa against the electrical resistivity data under pressure

  18. High Pressure X-Ray Diffraction Studies of Bi2-xSbxTe3 (x = 0,1,2)

    Science.gov (United States)

    Jacobsen, M. K.; Kumar, R. S.; Cornelius, A. L.; Sinogeiken, S. V.; Nico, M. F.

    2007-12-01

    Recently, pressure tuning of the thermoelectric figure of merit has been reported for several materials Bi2Te3 based thermoelectric materials [2],[10],[12]. In order to investigate the bulk properties of Bi2Te3, Sb2Te3, and their solid solution in detail, we have performed structural studies up to 20 GPa. Our diffraction results show that all three compounds transform from the ambient pressure structure to a high pressure phase between 7 and 10 GPa. In addition, these diffraction results have been converted to Vinet and Holzapfel equations of state to test the claim of electronic topological transitions in these structures [3].

  19. High-pressure powder X-ray diffraction at the turn of the century

    International Nuclear Information System (INIS)

    Paszkowicz, W.

    2002-01-01

    Studies at extreme pressures and temperatures are helpful for understanding the physical properties of the solid state, including such classes of materials as semiconductors, superconductors or minerals. This is connected with the opportunity of tuning the pressure by many orders of magnitude. Diamond-anvil and large-anvil pressure cells installed at dedicated synchrotron beamlines are efficient tools for examination of crystal structure, equation of state, compressibility and phase transitions. One of basic methods in such studies is powder diffraction. This review is devoted to methods of powder X-ray diffraction at high-pressures generated by devices installed at synchrotron radiation sources, in particular to the principles of operation of high-pressure-high-temperature cells. General information on high-pressure diffraction facilities installed at 11 synchrotron storage rings in the world is provided. Measurement aspects are considered, including (i) pressure generation and calibration, (ii) strain in the sample, the pressure marker and the pressure-transmitting medium and (iii) pressure and temperature distributions within the cells. Sources of interest in high-pressure diffraction studies (design of new materials, observation of new phenomena, confrontation of theory with experiment) are briefly discussed. Recent developments of high-pressure methods make that pressure becomes a variable playing a key role in investigation of condensed matter. The paper ends with some remarks on the possible future developments of the technique

  20. The high-pressure behavior of spherocobaltite (CoCO3): a single crystal Raman spectroscopy and XRD study

    Science.gov (United States)

    Chariton, Stella; Cerantola, Valerio; Ismailova, Leyla; Bykova, Elena; Bykov, Maxim; Kupenko, Ilya; McCammon, Catherine; Dubrovinsky, Leonid

    2018-01-01

    Magnesite (MgCO3), calcite (CaCO3), dolomite [(Ca, Mg)CO3], and siderite (FeCO3) are among the best-studied carbonate minerals at high pressures and temperatures. Although they all exhibit the calcite-type structure ({R}\\bar{3}{c}) at ambient conditions, they display very different behavior at mantle pressures. To broaden the knowledge of the high-pressure crystal chemistry of carbonates, we studied spherocobaltite (CoCO3), which contains Co2+ with cation radius in between those of Ca2+ and Mg2+ in calcite and magnesite, respectively. We synthesized single crystals of pure spherocobaltite and studied them using Raman spectroscopy and X-ray diffraction in diamond anvil cells at pressures to over 55 GPa. Based on single crystal diffraction data, we found that the bulk modulus of spherocobaltite is 128 (2) GPa and K' = 4.28 (17). CoCO3 is stable in the calcite-type structure up to at least 56 GPa and 1200 K. At 57 GPa and after laser heating above 2000 K, CoCO3 partially decomposes and forms CoO. In comparison to previously studied carbonates, our results suggest that at lower mantle conditions carbonates can be stable in the calcite-type structure if the radius of the incorporated cation(s) is equal or smaller than that of Co2+ (i.e., 0.745 Å).

  1. Synchrotron x-ray reflectivity study of oxidation/passivation of copper and silicon

    International Nuclear Information System (INIS)

    Chu, Y.; Nagy, Z.; Parkhutik, V.; You, H.

    1999-01-01

    Synchrotron x-ray-scattering technique studies of copper and silicon electrochemical interfaces are reported. These two examples illustrate the application of synchrotron x-ray techniques for oxidation, passivation, and dissolution of metals and semiconductors

  2. Synchrotron x-ray reflectivity study of oxidation/passivation of copper and silicon.

    Energy Technology Data Exchange (ETDEWEB)

    Chu, Y.; Nagy, Z.; Parkhutik, V.; You, H.

    1999-07-21

    Synchrotron x-ray-scattering technique studies of copper and silicon electrochemical interfaces are reported. These two examples illustrate the application of synchrotron x-ray techniques for oxidation, passivation, and dissolution of metals and semiconductors.

  3. High-pressure apparatus

    NARCIS (Netherlands)

    Schepdael, van L.J.M.; Bartels, P.V.; Berg, van den R.W.

    1999-01-01

    The invention relates to a high-pressure device (1) having a cylindrical high-pressure vessel (3) and prestressing means in order to exert an axial pressure on the vessel. The vessel (3) can have been formed from a number of layers of composite material, such as glass, carbon or aramide fibers which

  4. High-pressure crystallography

    Science.gov (United States)

    Katrusiak, A.

    2008-01-01

    The history and development of high-pressure crystallography are briefly described and examples of structural transformations in compressed compounds are given. The review is focused on the diamond-anvil cell, celebrating its 50th anniversary this year, the principles of its operation and the impact it has had on high-pressure X-ray diffraction.

  5. Structural studies of fluid mercury using synchrotron radiation at SPring-8

    International Nuclear Information System (INIS)

    Hong Xinguo; Tamura, K.

    2003-01-01

    With the volume expansion by heating up toward the critical point, typical liquid metal mercury undergoes metal-nonmetal transition (M-NM) at a density around 9 g/cm 3 . To study the structure changes of fluid Hg during volume expansion, we have carried out X-ray diffraction measurements for expanded fluid mercury in a wide density region from liquid to dense vapour region using synchrotron radiation at SPring-8. We have succeeded in developing a new high-pressure vessel, up to 1700 degree C under 2000 bar and with 7 scattering windows for energy-dispersive X-ray diffraction (EDXD) measurements under high temperature and high pressure. It was found that the reliability of the structure factors, S(k), and the accuracy of the pair distribution functions, g(r), are much better. Reliable relations of the coordination number and the correlation distance with the density of fluid Hg were obtained. Structural model of volume expansion of fluid Hg is proposed based on our new results. Structural changes with decreasing density are discussed in relation to the M-NM transition in fluid Hg

  6. The study of road surface micro-texture's effects for the pavement's decontamination by high pressure water washing

    International Nuclear Information System (INIS)

    Kobayashi, Masatoshi; Shimizu, Tadaaki; Hirayama, Takahiro

    2014-01-01

    In the result of “decontamination technical demonstration project” by Ministry of the Environment, it has became clear that the effect variation is larger in high pressure water washing method, compared with others in road surface decontamination technology. In this study, we have hypothesized the fact at the difference of micro-texture of the road surface, by carrying out high pressure water washing method in different kinds of road surfaces and verified the relation between washing efficiency and micro-texture road surface. Positive correlation has admitted between the washing number of times and radiation reduction rate and the trend of primary regression equation (i.e. radiation reduction rate per washing time) is indicating that decreasing tendency of radiation carried by the increasing of micro-texture of the road surface. Here, we proposed the method to estimated essential washing number of times to achieve the targeted radiation reduction rate from the relation of that trend and micro-texture of the road surface. (author)

  7. Economic study of replacing conventional ballast with electronic ballast for high pressure sodium lamps used in public lighting in Egypt

    Directory of Open Access Journals (Sweden)

    Osama M. Arafa

    2015-05-01

    Full Text Available High pressure sodium lamp is widely used for street and public lighting in many countries including Egypt. It is traditionally connected to the AC mains through electromagnetic ballast. Electronic ballast for high pressure sodium lamp has reached a matured technological state and it is outperforming electromagnetic ballast in almost all operational aspects. Differentiating both ballasts from a technical perspective has been presented in great detail by the authors in a previous paper. Due to the current critical shortage of electrical energy supply in Egypt; top executives seek alternatives to mitigate the crisis of electricity shortage. Among these alternatives is a national plan to replace magnetic ballasts with electronic ballasts for public lighting applications. Replacing conventional electromagnetic ballast with electronic ballast is associated with high capital investment due to high cost of such devices. The objective of this study is to outlay a systematic approach to define the threshold price of electronic ballast which assures the economical feasibility of such plan. In doing this, the economical aspects of replacing electromagnetic ballasts with electronic ballast on a national scale in Egypt are analyzed and presented.

  8. Synthesis and high (pressure, temperature) stability of ZnTiO3 polymorphs studied by Raman spectroscopy

    Science.gov (United States)

    Bernert, T.; Ruiz-Fuertes, J.; Bayarjargal, L.; Winkler, B.

    2015-05-01

    The phase-purity of ilmenite-type ZnTiO3 prepared by the ceramic method was investigated in dependence of the conditions during ball milling. The previously proposed addition of 2 ml ethanol to the starting materials led to a significant contamination of the product phase after a subsequent sintering process at 1073 K. However, by omitting ethanol this synthesis route led to a phase-pure sample of ZnTiO3 as confirmed by X-ray powder diffraction and Raman spectroscopy. High-temperature high-pressure experiments gave an ilmenite-type to perovskite-type phase boundary with a slope of dT/dP∼-135 K GPa-1 crossing ambient temperature conditions at ∼ 24 GPa in good agreement with previous calculations. Room-temperature high-pressure Raman spectroscopy experiments have shown the stability of the ilmenite-type phase up to a pressure of at least 38.5 GPa, the highest pressure applied in this study, indicating the presence of a kinetic barrier in this phase transition. The synthesis of ferroelectric LiNbO3-type ZnTiO3 was confirmed by second harmonic generation.

  9. Impact of condensed matter theories on material studies at high pressures

    International Nuclear Information System (INIS)

    Godwal, B.K.; Rao, R.S.; Sikka, S.K.; Chidambaram, R.

    1997-01-01

    We are vigorously pursuing a program to study the behaviour of materials under pressure for the last three decades. Theoretical component has been an important part of our activity. The initial phase of such efforts was devoted to the development of equation of state models at arbitrary temperature and matter density. With the advent of diamond anvil cell device and improvements of the diagnostic technique in dynamic methods, the focus of our studies switched over to the predictions and interpretations of phase transitions. Many times these have led to intense experimental studies and sometimes helped in resolving the controversies. The introduction of linear methods in electron band theory and availability of supercomputers and parallel processors have given boost to the computational physics, and the efforts are now being extended more and more to the ab-initio molecular dynamics simulations. These simulations have a promise to avoid the tedious search for structural stability by trail and error in phase transition studies under pressure or temperature. The current status of our efforts in this direction will be listed with an illustration on liquid sulphur. Our past work on electronic topological transition in zinc led to many experimental and theoretical investigations. The results of electronic structure changes in similar metal cadmium shall be compared with existing understanding in Zn under pressure. Our studies on other compounds (AuIn 2 , YNi 2 B 2 C), which have also been found to display electronic topological transition under pressure, will be discussed. (author)

  10. Longitudinal tracking studies for a high intensity proton synchrotron

    International Nuclear Information System (INIS)

    Lessner, E.; Cho, Y.; Harkay, K.; Symon, K.

    1995-01-01

    Results from longitudinal tracking studies for a high intensity proton synchrotron designed for a 1-MW spallation source are presented. The machine delivers a proton beam of 0.5 mA time-averaged current at a repetition rate of 30 Hz. The accelerator is designed to have radiation levels that allow hands-on-maintenance. However, the high beam intensity causes strong space charge fields whose effects may lead to particle loss and longitudinal instabilities. The space charge fields modify the particle distribution, distort the stable bucket area and reduce the rf linear restoring force. Tracking simulations were conducted to analyze the space charge effects on the dynamics of the injection and acceleration processes and means to circumvent them. The tracking studies led to the establishment of the injected beam parameters and rf voltage program that minimized beam loss and longitudinal instabilities. Similar studies for a 10-GeV synchrotron that uses the 2-GeV synchrotron as its injector are also discussed

  11. Study of spear as a dedicated source of synchrotron radiation

    International Nuclear Information System (INIS)

    Cerino, J.; Golde, A.; Hastings, J.; Lindau, I.; Salsburg, B.; Winick, H.; Lee, M.; Morton, P.; Garren, A.

    1977-11-01

    A study was made of the potential of SPEAR as a dedicated source of synchrotron radiation, based on the expectation that SPEAR will become increasingly available for this purpose as PEP, the 18-GeV colliding-beam storage ring now under construction by LBL and SLAC, becomes operational. A synchrotron radiation research program has been underway since May, 1974. Two beam ports capable of serving 9 simultaneous users are now operational. In single-beam multi-bunch operation high currents are possible (225 mA has been achieved and > approximately 300 mA is expected) and the electron beam emittance can be made smaller, resulting in higher source point brightness. Descriptions are given of SPEAR capabilities and of plans to expand the research capability by adding beam runs and by inserting wiggler magnets in SPEAR straight sections

  12. Synchrotron white beam topographic studies of gallium arsenide crystals

    International Nuclear Information System (INIS)

    Wierzchowski, W.; Wieteska, K.; Graeff, W.

    1997-01-01

    A series of samples cut out from different types of gallium arsenide crystals with low dislocation density were studied by means of white beam synchrotron topography. The investigation was performed with transmission and black-reflection projection methods and transmission section method. Some of topographs in transmission geometry provided a very high sensitivity suitable for revealing small precipitates. The transmission section images significantly differed depending on the wavelength and absorption. In some cases a distinct Pendelloesung fringes and fine details of dislocation and precipitates images were observed. It was possible to reproduce the character of these images by means of numerical simulation based on integration of Takagi-Taupin equations. Due to more convenient choice of radiation, synchrotron back-reflection projection topography provided much better visibility of dislocations than analogous realized with conventional X-ray sources. (author)

  13. Studies of Lear antiproton deceleration: radiofrequency quadripole or synchrotron

    International Nuclear Information System (INIS)

    Iazzourene, F.

    1987-06-01

    The aim of this work is to study a radiofrequency quadrupole (RFQ) and a synchrotron as decelerating systems for antiprotons extracted from the Low Energy Antiproton Ring (LEAR) at CERN. Antiprotons at energies lower than those available from LEAR are need by some experiments, eg. the measurement of the mass difference between protons and antiprotons with 10 -9 accuracy, using a Smith and Princeton spectrometer, and the measurement of gravitation on the antiprotons, using a trap. Depending on the LEAR performances, one can conclude that the RFQ is suitable for the experiment on the gravitation, and the synchrotron, owing to its electron cooling system, is a better solution for the experiment on the mass difference measurement, because of the very small acceptance of the spectrometer [fr

  14. Optimization study on pin tip diameter of an impact-pin nozzle at high pressure ratio

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, C. Palani; Lee, Kwon Hee [FMTRC, Daejoo Machinery Co. Ltd., Daegu (Korea, Republic of); Park, Tae Choon; Cha, Bong Jun [Engine Components Research Team, Korea Aerospace Research Institute, Daejeon (Korea, Republic of); Kim, Heuy Dong [Dept. of Mechanical Engineering, Andong National University, Andong (Korea, Republic of)

    2016-09-15

    Wet compression system is typically installed in a gas turbine engine to increase the net power output and efficiency. A crucial component of the wet compression system is the nozzle which generates fine water droplets for injection into the compressor. The main objective of present work is to optimize a kind of nozzle called impact-pin spray nozzle and thereby produce better quality droplets. To achieve this, the dynamics occurring in the water jet impinging on the pin tip, the subsequent formation of water sheet, which finally breaks into water droplets, must be studied. In this manuscript, the progress on the numerical studies on impact-pin nozzle are reported. A small computational domain covering the orifice, pin tip and the region where primary atomization occurs is selected for numerical analysis. The governing equations are selected in three dimensional cartesian form and simulations are performed to predict the dynamics of water jet impinging on the pin. Systematic studies were carried out and the results leading to the choice of turbulence model and the effect of pin tip diameter are reported here. Further studies are proposed to show the future directions of the present research work.

  15. Oscillatory shear and high-pressure dielectric study of 5-methyl-3-heptanol

    DEFF Research Database (Denmark)

    Hecksher, Tina; Jakobsen, Bo; Dyre, J. C.

    2014-01-01

    The monohydroxy alcohol 5-methyl-3-heptanol is studied using rheology at ambient pressure and using dielectric spectroscopy at elevated pressures up to 1.03 GPa. Both experimental techniques reveal that the relaxational behavior of this liquid is intermediate between those that show a large Debye...

  16. Differential Thermal Analysis and Dielectric Studies on 2-Methyl-2-Nitro-Propane under High Pressure

    Science.gov (United States)

    Büsing, D.; Jenau, M.; Reuter, J.; Würflinger, A.; Tamarit, J. Li.

    1995-05-01

    Differential thermal analysis and dielectric studies under pressures up to 300 MPa and temperatures of about 200 to 350 K have been performed on 2-methyl-2-nitro-propane (TBN). TBN displays an orientationally disordered phase (ODIC), solid I, and two non-plastic phases, solids II and III. The coexistence region of the plastic phase I increases with increasing pressure, whereas the low-temperature phase II apparently vanishes at a triple point I, II, III, above 300 MPa. The static permittivity increases on freezing, characterizing the solid I as an ODIC phase. In the frame of the Kirkwood-Onsager-Fröhlich theory the g-factor is about unity, discounting specific dielectric correlations. The dielectric behaviour of TBN is similar to previously studied related compounds, such as 2-chloro-2-methyl-propane or 2-brome- 2-methyl-propane

  17. X-ray absorption radiography for high pressure shock wave studies

    Science.gov (United States)

    Antonelli, L.; Atzeni, S.; Batani, D.; Baton, S. D.; Brambrink, E.; Forestier-Colleoni, P.; Koenig, M.; Le Bel, E.; Maheut, Y.; Nguyen-Bui, T.; Richetta, M.; Rousseaux, C.; Ribeyre, X.; Schiavi, A.; Trela, J.

    2018-01-01

    The study of laser compressed matter, both warm dense matter (WDM) and hot dense matter (HDM), is relevant to several research areas, including materials science, astrophysics, inertial confinement fusion. X-ray absorption radiography is a unique tool to diagnose compressed WDM and HDM. The application of radiography to shock-wave studies is presented and discussed. In addition to the standard Abel inversion to recover a density map from a transmission map, a procedure has been developed to generate synthetic radiographs using density maps produced by the hydrodynamics code DUED. This procedure takes into account both source-target geometry and source size (which plays a non negligible role in the interpretation of the data), and allows to reproduce transmission data with a good degree of accuracy.

  18. Exploring the High-Pressure Behavior of PETN: A Combined Quantum Mechanical and Experimental Study

    Science.gov (United States)

    2006-11-01

    calculations to explore the hypothesized compression-induced polymorphic phase transition [Gruzdkov 2004]. The initial crystal in these Figure 4...Scuseria, G.E., and Chabalowski, C.F. 2004: An ab Initio Study of Solid Nitromethane, HMX , RDX , and CL20: Successes and Failures of DFT. J. Phys. Chem... RDX , HMX , HNIW, and PETN Crystals. J. Phys. Chem. B, 103, 6783. Trotter, J., 1963: Bond lengths and angles in Pentaerythritol Tetranitrate. Acta

  19. High pressure behaviour of TbN: an X-ray diffraction and computational study

    DEFF Research Database (Denmark)

    Jakobsen, J.M.; Madsen, G.K.H.; Jorgensen, J.E.

    2002-01-01

    In the present work, we report an X-ray powder diffraction study of TbN up to an applied hydrostatic pressure of 43 GPa. TbN was found to be stable in the 131 (NaCl structure) within the examined pressure interval, and the zero pressure bulk modulus was determined to be 176(7) GPa. The electronic...... is greatly improved by introducing an orbital dependent U term into the energy-functional. The 4f electrons in TbN-B1 are atomic like and highly correlated, and ferro-magnetic TbN-B1 is found to be a magnetic half-metal. Calculations find the spindown f-electrons in a hypothetical TbN-B2 (CsCl) structure...

  20. A study of mechanical sealing methods using graphite powder for high pressure vessel

    Energy Technology Data Exchange (ETDEWEB)

    Jeong, H. Y.; Hong, J. T.; Ahn, S. H.; Joung, C. Y. [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2012-10-15

    The Fuel Test Loop (FTL) is a facility that can conduct fuel irradiation tests at the HANARO (High flux Advanced Neutron Application Reactor). The FTL simulates commercial NPP operating conditions such as pressure, temperature and neutron flux levels to conduct irradiation and thermo hydraulic tests. It is composed of an In Pile test Section (IPS) and an Out Pile System (OPS). The OPS contains a pressurizer, cooler, pump, heater and purification system, which are necessary to maintain the proper fluid conditions. In addition, the OPS contains engineered safety systems that can safely shutdown both HANARO and FTL if an accident occurs. The IPS accommodating fuel pins has a loaded IP 1 hole in HANARO, and a double pressure vessel for the design conditions of 350 .deg. C, 17.5MPa and is composed of an outer assembly and inner assembly. It has instruments such as a thermocouple, LVDT and SPND to measure the fuel performances during the test. FTL coolant is supplied to the IPS at the core of commercial nuclear power plants at the same temperature, pressure and flow conditions. Sensors are installed on the inside of the IPS to send signal transmission MI Cables to the outside for instrumentation through the pressure boundary. Therefore, the pressure boundary should be maintained in the sealing performance. Currently, the sealing of the IPS of the the FTL is maintained through a brazing method. However, A brazing method has disadvantages that can occur owing to thermal deformation or breakage in the instrumentation Mi cable. IPS inner assembly is a very long design length (approximately 5.29m), so it is difficult to perform in a vacuum chamber. Therefore, an easy and reliable way to assemble the instrumentation Mi cable mechanical sealing method has been studied. In this study, criteria tests at the pressure boundary were performed using universally applicable graphite powder for the instrumentation MI cable of various sizes.

  1. High pressure studies of as grown WX2-x single crystals

    International Nuclear Information System (INIS)

    Solanki, G.K.; Agarwal, M.K.; Patel, Yogesh A.

    2011-01-01

    The structural optical and transport properties of tungsten metal dichalogenides having layered structure have been extensively studied in the last two decades. These materials shows highly anisotropic behaviour and have been receiving considerable interest for a variety of applications. Several of these layered semiconductors have attracted attention as a new class of solar cell material. We present here the results of simultaneous resistivity and thermoelectric power (TEP) measurements upto 7 GPa on single crystals of WS 2 , WS 1.9 , WSe 2 and WSe 1.9 grown using Direct Vapour Transport (DVT) technique. The observations clearly shows WS 2 and WS 1.9 are more resistive compared to other two crystals. In all samples an exponential fall of resistivity on increases in pressure upto 2.1 GPa but after 2.2 GPa the resistivity decreases substantially with increases pressure. The TEP of WSe 2 increases steadily and reaches maximum at 0.65 GPa, while for WSe 1.9 TEP increases upto pressure 0.5 GPa. In both the cases after attaining the maximum TEP, then decreases monotonically with increase in pressure. TEP of WS 2 and WS 1.9 increase upto pressure 1.1 GPa, beyond 1.1 GPa pressure in both the cases TEP decreases steadily with further increase in pressure. In all the samples, the sign of TEP is positive indicating that all of them are p-type and remain p-type with increase in pressure. The variation of thermoelectric power factor with pressure has been thoroughly studied. An analysis of the data point out that perfectly stoichiometric crystals of WSe 2 work as superior thermoelectric materials. The results have been presented and implications have been discussed. (author)

  2. Ab initio study of the elastic properties of sodium chloride at high pressure

    International Nuclear Information System (INIS)

    Liu Lei; Bi Yan; Xu Jian; Chen Xiangrong

    2010-01-01

    The equation of state and elastic properties for B1- and B2-NaCl up to 160 GPa have been studied by using the density functional simulation within the generalized gradient approximation (GGA). The calculated lattice constants of NaCl agree well with experimental values in a precision of 0.1% over the pressure range studied. It is found that the cell volume decreases 5.5% at the phase transition point. All three independent elastic stiffness coefficients, c 11 , c 12 and c 44 for B1- and B2-NaCl are evaluated by a calculated stress tensor which was generated by forcing small strain to the optimized unit cell. The calculated zero-pressure elastic moduli, wave velocities, and their initial pressure dependences of B1-NaCl are in excellent agreement with experiments. Systematic investigation on the elasticity of NaCl has been done through four parameters, the Zener anisotropy ratio (A Z ), the acoustic anisotropy factor (A a ), the Cauchy deviation (δ), and the normalized elastic constants (c ij '). With the pressure, the Zener anisotropy ratio A Z decreases in the B1-phase, but increases in the B2-phase and reaches 1 at about 174 GPa, it suggests that NaCl would become elastic isotropic at this pressure range. The acoustic anisotropy factor A a shows the similar pressure behavior as A Z . The Cauchy deviation (δ)) increases with pressures, it demonstrates that in the interatomic interaction, the many-body contribution becomes more important at higher pressures. A discussion on the normalized elastic constants is also presented.

  3. A study of mechanical sealing methods using graphite powder for high pressure vessel

    International Nuclear Information System (INIS)

    Jeong, H. Y.; Hong, J. T.; Ahn, S. H.; Joung, C. Y.

    2012-01-01

    The Fuel Test Loop (FTL) is a facility that can conduct fuel irradiation tests at the HANARO (High flux Advanced Neutron Application Reactor). The FTL simulates commercial NPP operating conditions such as pressure, temperature and neutron flux levels to conduct irradiation and thermo hydraulic tests. It is composed of an In Pile test Section (IPS) and an Out Pile System (OPS). The OPS contains a pressurizer, cooler, pump, heater and purification system, which are necessary to maintain the proper fluid conditions. In addition, the OPS contains engineered safety systems that can safely shutdown both HANARO and FTL if an accident occurs. The IPS accommodating fuel pins has a loaded IP 1 hole in HANARO, and a double pressure vessel for the design conditions of 350 .deg. C, 17.5MPa and is composed of an outer assembly and inner assembly. It has instruments such as a thermocouple, LVDT and SPND to measure the fuel performances during the test. FTL coolant is supplied to the IPS at the core of commercial nuclear power plants at the same temperature, pressure and flow conditions. Sensors are installed on the inside of the IPS to send signal transmission MI Cables to the outside for instrumentation through the pressure boundary. Therefore, the pressure boundary should be maintained in the sealing performance. Currently, the sealing of the IPS of the the FTL is maintained through a brazing method. However, A brazing method has disadvantages that can occur owing to thermal deformation or breakage in the instrumentation Mi cable. IPS inner assembly is a very long design length (approximately 5.29m), so it is difficult to perform in a vacuum chamber. Therefore, an easy and reliable way to assemble the instrumentation Mi cable mechanical sealing method has been studied. In this study, criteria tests at the pressure boundary were performed using universally applicable graphite powder for the instrumentation MI cable of various sizes

  4. Study of Raman Spectroscopy on Phase Relations of CaCO3 at High Temperature and High Pressure

    Science.gov (United States)

    Li, M.; Zheng, H.; Duan, T.

    2006-05-01

    Laser Raman Spectroscopy was used to study phase relations between calcite I, calcite II and aragonite at high pressure and high temperature. The experiment was performed in an externally heated Basselt type diamond anvil cell (DAC). Natural calcite (calcite I) was used as starting mineral. The sample and a small chip of quartz were loaded in a cavity (300 μm in diameter and 250 μm in depth) in a rhenium gasket. The Na2CO3 aqueous solution of 1mol/L was also loaded as a pressure medium to yield hydrostatic pressure. The whole assembly was pressurized first and then heated stepwise to 400°C. Pressure and temperature in the chamber were determined by the shift of Raman band at 464 cm-1 of quartz and by NiCr-NiSi thermocouple, respectively. The Raman spectra were measured by a Renishaw 1000 spetrometer with 50 mW of 514.5nm argon-ion laser as the excitation light source. The slit width was 50 μm and the corresponding resolution was ±1 cm-1. From the experiments, we observed the phase transitions between calcite I and calcite II, calcite I and aragonite, calcite II and aragonite, respectively. Our data showed a negative slope for the boundary between calcite I and calcite II, which was similar to Bridgman's result, although Hess et al. gave a positive slope. The boundary with a negative slope for calcite II and aragonite was also defined, which had never been done before. And all these data can yield a more complete phase diagram of CaCO3 than the studies of Hess et al. and Suito et al.Reference:Bridgeman P. W.(1939) Journal: American Journal of Science, Vol. 237, p. 7-18Bassett W. A. et al. (1993) Journal: Review of Scientific Instruments, Vol. 64, p. 2340-2345Suito K. et al. (2001) Journal: American Mineralogist, Vol. 86, p. 997- 1002Hess N. J. et al. (1991) In A. K. Singh, Ed., Recent Trends in High Pressure Research; Proc. X IIIth AIRAPT International Conference on High Pressure Science and Technology, p. 236-241. Oxford & IBH Publishing Co. Pvt, Ltd., New

  5. High pressure study of the intermetallic compound UFe2Al10

    International Nuclear Information System (INIS)

    Halevy, I.; Zenou, V.Y.; Salhov, S.; Caspi, E.N.; Schaefer, W.; Yaar, I.

    2006-01-01

    The crystallographic and electronic structure of UFe 2 Al 10 was studied as a function of pressure by combining X-ray diffraction results with the full potential linearized augmented plane wave (LAPW) calculations method. The volume-pressure reduction measured at 23.5 GPa is V/V 0 = 0.87, with a B 0 value of 132 ± 8 GPa. The uranium 5f electrons in this compound are located in a narrow and well-defined band above E Fermi , having a very weak interaction with the iron 3d band located below E Fermi . Consequently, the DOS at E Fermi is close to zero, indicating a close to zero-magnetic moment of the uranium atom at low temperature up to a pressure of 23.5 GPa, as expected from the layered crystallographic structure of this compound. The above assumption is supported by preliminary neutron diffraction data, where no long-range magnetic order was detected down to 3 K

  6. Theoretical study of the aluminum melting curve to very high pressure

    International Nuclear Information System (INIS)

    Moriarty, J.A.; Young, D.A.; Ross, M.

    1984-01-01

    A detailed theoretical study of the Al melting curve from normal melting conditions to pressures in the vicinity of 2 Mbar is presented. The analysis is based on two parallel, but distinct, treatments of the metal: the first from rigorous generalized pseudopotential theory involving first-principles nonlocal pseudopotentials and the second from a parametrized local pseudopotential model which has been accurately fit to first-principles band-theory and experimental equation-of-state data. Both treatments utilize full lattice-dynamical calculations of the phonon free energy in the solid, within the harmonic approximation, and fluid variational theory to obtain the free energy of the liquid. Particular attention is focused on the choice of the reference system in implementing the fluid variational theory. It is shown that in Al the soft-sphere model of Ross produces a lower (and hence more accurate) liquid free energy than either the hard-sphere or one-component-plasma reference systems, and is, moreover, necessary to obtain a reasonable quantitative description of the melting properties. With the soft-sphere system, the two theoretical treatments give results in good overall agreement with each other and with experiment. In particular, melting on the shock Hugoniot is predicted to begin at about 1.2 Mbar and to end at about 1.55 Mbar, in excellent agreement with the recent preliminary measurements of McQueen

  7. High pressure study of the zinc phosphide semiconductor compound in two different phases

    International Nuclear Information System (INIS)

    Mokhtari, Ali

    2009-01-01

    Electronic and structural properties of the zinc phosphide semiconductor compound are calculated at hydrostatic pressure using the full-potential all-electron linearized augmented plane wave plus local orbital (FP-LAPW+lo) method in both cubic and tetragonal phases. The exchange-correlation potential is treated by the generalized gradient approximation within the scheme of Perdew, Burke and Ernzerhof, GGA96 (1996 Phys. Rev. Lett. 77 3865). Also, the Engel and Vosko GGA formalism, EV-GGA (Engel and Vosko 1993 Phys. Rev. B 47 13164), is used to improve the band-gap results. Internal parameters are optimized by relaxing the atomic positions in the force directions using the Hellman-Feynman approach. The lattice constants, internal parameters, bulk modulus, cohesive energy and band structures have been calculated and compared to the available experimental and theoretical results. The structural calculations predict that the stable phase is tetragonal. The effects of hydrostatic pressure on the behavior of band parameters such as band-gap, valence bandwidths and internal gaps (the energy gap between different parts of the valence bands) are studied using both GGA96 and EV-GGA.

  8. High pressure study of the zinc phosphide semiconductor compound in two different phases

    Energy Technology Data Exchange (ETDEWEB)

    Mokhtari, Ali [Simulation Laboratory, Department of Physics, Faculty of Science, Shahrekord University, PB 115, Shahrekord (Iran, Islamic Republic of)], E-mail: mokhtari@sci.sku.ac.ir

    2009-07-08

    Electronic and structural properties of the zinc phosphide semiconductor compound are calculated at hydrostatic pressure using the full-potential all-electron linearized augmented plane wave plus local orbital (FP-LAPW+lo) method in both cubic and tetragonal phases. The exchange-correlation potential is treated by the generalized gradient approximation within the scheme of Perdew, Burke and Ernzerhof, GGA96 (1996 Phys. Rev. Lett. 77 3865). Also, the Engel and Vosko GGA formalism, EV-GGA (Engel and Vosko 1993 Phys. Rev. B 47 13164), is used to improve the band-gap results. Internal parameters are optimized by relaxing the atomic positions in the force directions using the Hellman-Feynman approach. The lattice constants, internal parameters, bulk modulus, cohesive energy and band structures have been calculated and compared to the available experimental and theoretical results. The structural calculations predict that the stable phase is tetragonal. The effects of hydrostatic pressure on the behavior of band parameters such as band-gap, valence bandwidths and internal gaps (the energy gap between different parts of the valence bands) are studied using both GGA96 and EV-GGA.

  9. High-pressure Raman study of vibrational spectra in crystalline acetanilide

    Science.gov (United States)

    Sakai, Masamichi; Kuroda, Noritaka; Nishina, Yuichiro

    1993-01-01

    We have studied the effect of pressure on the low-frequency lattice modes and the amide-I (N-CO stretching) vibrational modes in crystalline acetanilide (C6H5NHCOCH3) in the temperature range 80-300 K by means of Raman spectroscopy. The Raman intensity of the 1650-cm-1 band, which appears upon cooling, is enhanced by applying pressure. The energy difference between the amide-I phonon (Ag mode) and the 1650-cm-1 bands does not change appreciably under pressure up to at least 4 GPa. These results are analyzed in terms of the self-trapped model in which a single lattice mode couples with the amide-I excitation by taking into account the effect of pressure on the low-frequency lattice modes and on the dipole-dipole interactions associated with the amide-I vibration. A band is observed at 30 cm-1 below the amide-I phonon band at low temperatures with a pressure above ~2 GPa.

  10. High-pressure polymorphs of TbVO4: A Raman and ab initio study

    International Nuclear Information System (INIS)

    Errandonea, D.; Manjón, F.J.; Muñoz, A.; Rodríguez-Hernández, P.; Panchal, V.; Achary, S.N.; Tyagi, A.K.

    2013-01-01

    Highlights: •Three phase transitions are induced in zircon-type TbVO4 at 6.7, 26.7, and 34.4 GPa. •The proposed structural sequence is zircon-scheelite-fergusonite-orthorhombic Cmca. •Scheelite phase is metaestable after decompression. •The equation of states for all phases is reported. •Compressibility is enhanced in the Cmca phase due to f-electron delocalization. -- Abstract: Raman measurements on TbVO 4 show the occurrence of three pressure-induced phase transitions. The first one, an irreversible transition from the zircon to the scheelite structure, occurs beyond 6.7 GPa. In addition, two reversible transformations take place at 26.7 and 34.4 GPa. The last transition was never reported before. The experimental findings are supported by structural and lattice-dynamics calculations that helped us to identify the post-scheelite phase as a monoclinic fergusonite structure. According to the calculations, the third transition involves a symmetry increase. An orthorhombic structure is proposed for the phase found above 34.4 GPa. The results have been compared with previous studies in TbVO 4 and discussed in comparison with related compounds. The calculated equations of state are reported for the different polymorphs of TbVO 4 . A compressibility increase is caused by the third transition. It is associated to a bond-strength decrease, which is related to a coordination increase and a delocalization of Tb f-electrons

  11. High-pressure polymorphs of TbVO{sub 4}: A Raman and ab initio study

    Energy Technology Data Exchange (ETDEWEB)

    Errandonea, D., E-mail: daniel.errandonea@uv.es [Departamento de Física Aplicada-ICMUV, Universidad de Valencia, MALTA Consolider Team, Edificio de Investigación, C/Dr. Moliner 50, Burjassot, 46100 Valencia (Spain); Manjón, F.J. [Instituto de Diseño para la Fabricación y Producción Automatizada, MALTA Consolider Team, Universidad Politécnica de Valencia, Camino de Vera s/n, 46022 Valencia (Spain); Muñoz, A.; Rodríguez-Hernández, P. [Departamento de Física Fundamental II, Instituto de Materiales y Nanotecnología, MALTA Consolider Team, Universidad de La Laguna, La Laguna 38205, Tenerife (Spain); Panchal, V. [Departamento de Física Aplicada-ICMUV, Universidad de Valencia, MALTA Consolider Team, Edificio de Investigación, C/Dr. Moliner 50, Burjassot, 46100 Valencia (Spain); Royal College of Arts, Science and Commerce, Mira Road, Mumbai 401 107 (India); Achary, S.N.; Tyagi, A.K. [Chemistry Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400 085 (India)

    2013-11-15

    Highlights: •Three phase transitions are induced in zircon-type TbVO4 at 6.7, 26.7, and 34.4 GPa. •The proposed structural sequence is zircon-scheelite-fergusonite-orthorhombic Cmca. •Scheelite phase is metaestable after decompression. •The equation of states for all phases is reported. •Compressibility is enhanced in the Cmca phase due to f-electron delocalization. -- Abstract: Raman measurements on TbVO{sub 4} show the occurrence of three pressure-induced phase transitions. The first one, an irreversible transition from the zircon to the scheelite structure, occurs beyond 6.7 GPa. In addition, two reversible transformations take place at 26.7 and 34.4 GPa. The last transition was never reported before. The experimental findings are supported by structural and lattice-dynamics calculations that helped us to identify the post-scheelite phase as a monoclinic fergusonite structure. According to the calculations, the third transition involves a symmetry increase. An orthorhombic structure is proposed for the phase found above 34.4 GPa. The results have been compared with previous studies in TbVO{sub 4} and discussed in comparison with related compounds. The calculated equations of state are reported for the different polymorphs of TbVO{sub 4}. A compressibility increase is caused by the third transition. It is associated to a bond-strength decrease, which is related to a coordination increase and a delocalization of Tb f-electrons.

  12. The pressure behaviour of actinides via synchrotron radiation

    International Nuclear Information System (INIS)

    Haire, R.G.; Heathman, S.; Le Bihan, T.; Lindbaum, A.

    2002-01-01

    Various aspects of performing high-pressure studies with radioactive f-elements using synchrotrons as sources of X-rays are discussed. For ultra-high pressures, intense well-focused beams of 10 to 30 microns in diameter and a single wavelength of 0.3 to 0.7 angstrom are desired for angle dispersive diffraction measurements. Special considerations are necessary for the studies of transuranium elements under pressure at synchrotron facilities. Normally, with these actinides the pressure cells are prepared off-site and shipped to the synchrotron for study. Approved containment techniques must be provided to assure there is not a potential for the release of sample material. The goal of these high-pressure studies is to explore the fundamental science occurring as pressure is applied to the actinide samples. One of the primary effects of pressure is to reduce interatomic distances, and the goal is to ascertain the changes in bonding and electronic nature of the system that result as atoms and electronic orbitals are forced closer together. Concepts of the science being pursued with these f-elements are outlined. A brief discussion of the behaviour of americium metal under pressure performed recently at the ESRF is provided as an example of the high-pressure research being performed with synchrotron radiation. Also discussed here is the important role synchrotrons play and the techniques/procedures employed in high-pressure studies with actinides. (authors)

  13. High-pressure tritium

    International Nuclear Information System (INIS)

    Coffin, D.O.

    1976-01-01

    Some solutions to problems of compressing and containing tritium gas to 200 MPa at 700 0 K are discussed. The principal emphasis is on commercial compressors and high-pressure equipment that can be easily modified by the researcher for safe use with tritium. Experience with metal bellows and diaphragm compressors has been favorable. Selection of materials, fittings, and gauges for high-pressure tritium work is also reviewed briefly

  14. Study of emission of a volume nanosecond discharge plasma in xenon, krypton and argon at high pressures

    International Nuclear Information System (INIS)

    Baksht, E Kh; Lomaev, Mikhail I; Rybka, D V; Tarasenko, Viktor F

    2006-01-01

    The emission properties of a volume nanosecond discharge plasma produced in xenon, krypton and argon at high pressures in a discharge gap with a cathode having a small radius of curvature are studied. Spectra in the range 120-850 nm and amplitude-time characteristics of xenon emission at different regimes and excitation techniques are recorded and analysed. It is shown that upon excitation of the volume discharge initiated by a beam of avalanche electrons, at least 90% of the energy in the spectral range 120-850 nm is emitted by xenon dimers. For xenon at a pressure of 1.2 atm, ∼45 mJ of the spontaneous emission energy was obtained in the full solid angle in a pulse with the full width at half-maximum ∼130 ns. (laser applications and other topics in quantum electronics)

  15. Virtual synchrotron experiments for deep Earth studies

    Science.gov (United States)

    Jackson, J. M.; Alp, E. E.; Zhao, J.; Alatas, A.; Sturhahn, W.

    2011-12-01

    National facilities offer one-of-a-kind opportunities to apply state-of-the-art experimental techniques to the pressing scientific problems of today. Yet, few students are able to experience research projects at national facilities due to limited accessibility caused in part by limited involvement in the local academic institution, constrained working areas at the experimental stations, and/or travel costs. We present a virtual and remote beam-line for deep Earth mineral physics studies using nuclear resonant and inelastic x-ray scattering methods at Sector 3 of the Advanced Photon Source at Argonne National Laboratory. Off-site students have the capability of controlling their measurements via secure internet connections and webcams. Students can access a 'view only mode' for ease of interaction and safety-control. More experienced users have exclusive control of the experiment and can remotely change variables within the experimental setup.

  16. High-pressure EPR spectroscopy studies of the E. coli lipopolysaccharide transport proteins LptA and LptC.

    Science.gov (United States)

    Schultz, Kathryn M; Klug, Candice S

    2017-12-01

    The use of pressure is an advantageous approach to the study of protein structure and dynamics because it can shift the equilibrium populations of protein conformations toward higher energy states that are not of sufficient population to be observable at atmospheric pressure. Recently, the Hubbell group at the University of California, Los Angeles, reintroduced the application of high pressure to the study of proteins by electron paramagnetic resonance (EPR) spectroscopy. This methodology is possible using X-band EPR spectroscopy due to advances in pressure intensifiers, sample cells, and resonators. In addition to the commercial availability of the pressure generation and sample cells by Pressure Biosciences Inc., a five-loop-four-gap resonator required for the initial high pressure EPR spectroscopy experiments by the Hubbell group, and those reported here, was designed by James S. Hyde and built and modified at the National Biomedical EPR Center. With these technological advances, we determined the effect of pressure on the essential periplasmic lipopolysaccharide (LPS) transport protein from Escherichia coli , LptA, and one of its binding partners, LptC. LptA unfolds from the N-terminus to the C-terminus, binding of LPS does not appreciably stabilize the protein under pressure, and monomeric LptA unfolds somewhat more readily than oligomeric LptA upon pressurization to 2 kbar. LptC exhibits a fold and relative lack of stability upon LPS binding similar to LptA, yet adopts an altered, likely monomeric, folded conformation under pressure with only its C-terminus unraveling. The pressure-induced changes likely correlate with functional changes associated with binding and transport of LPS.

  17. High-pressure balloon valvuloplasty for severe pulmonary valve stenosis: a prospective observational pilot study in 25 dogs.

    Science.gov (United States)

    Belanger, Catherine; Gunther-Harrington, Catherine T; Nishimura, Satoko; Oldach, Maureen S; Fousse, Samantha L; Visser, Lance C; Stern, Joshua A

    2018-04-01

    We aimed to evaluate safety and efficacy of high-pressure balloon valvuloplasty (HPBVP) for treatment of canine severe pulmonary valve stenosis (PS). A secondary aim was to provide pre-procedure predictors of success. Twenty-five dogs. Prospective observational study. Dogs with severe PS (echocardiographically derived trans-pulmonary peak/maximum pressure gradient (EDPG) ≥80 mmHg) were recruited. All dogs underwent echocardiography before and 20-24hrs after HPBVP using a high-pressure balloon with rated burst pressures ranging from 12 to 18 ATM. Procedural success was defined as a post-HPBVP EDPG reduction of ≥50% or reduction into at least the moderate category of PS (50-79 mmHg). Optimal result was defined as a post-procedural EDPG ≤30 mmHg. Initial median (IQR) EDPG for all dogs was 96 (88, 127) mmHg with a post-operative median of 48 (36, 65) mmHg. The median EDPG reduction provided by HPBVP was 63% (39, 68); procedural success rate was 92% (23 dogs). Optimal results were achieved in 56% (14 dogs). There were no significant correlations between EDPG reduction and valve morphology (Type A and Type B) or severity of right ventricular hypertrophy. Pulmonary valve annulus diameter was the only echocardiographic variable that was significantly correlated to EDPG reduction (p = 0.02; r = -0.46). No dog experienced any anesthetic or surgical complications, and all patients survived the procedure. In this cohort of 25 dogs with severe PS, HPBVP was safe and effective. The procedural success rate and high number of optimal results achieved with HPBVP suggest future randomized controlled trials comparing HPBVP to conventional valvuloplasty are warranted. Copyright © 2018 Elsevier B.V. All rights reserved.

  18. A first principles study of phase stability, bonding, electronic and lattice dynamical properties of beryllium chalcogenides at high pressure

    International Nuclear Information System (INIS)

    Dabhi, Shweta; Mankad, Venu; Jha, Prafulla K.

    2014-01-01

    Highlights: • First principles calculations are performed for BeS, BeSe and BeTe in B3, B8 and B1 phases. • They are indirect wide band gap semiconductors stable in B3 phase at ambient condition. • Phonon calculations at ambient and high pressure are reported. • The NiAs phase is dynamically stable at high pressure. - Abstract: The present paper reports a detailed and systematic theoretical study of structural, mechanical, electronic, vibrational and thermodynamical properties of three beryllium chalcogenides BeS, BeSe and BeTe in zinc blende, NiAs and rock salt phases by performing ab initio calculations based on density-functional theory. The calculated value of lattice constants and bulk modulus are compared with the available experimental and other theoretical data and found to agree reasonably well. These compounds are indirect wide band gap semiconductors with a partially ionic contribution in all considered three phases. The zinc blende phase of these chalcogenides is found stable at ambient condition and phase transition from zinc blende to NiAs structure is found to occur. The bulk modulus, its pressure derivative, anisotropic factor, Poission’s ratio, Young’s modulus for these are also calculated and discussed. The phonon dispersion curves of these beryllium chalcogenides in zinc blende phase depict their dynamical stability in this phase at ambient condition. We have also estimated the temperature variation of specific heat at constant volume, entropy and Debye temperature for these compounds in zinc blende phase. The variation of lattice-specific heat with temperature obeys the classical Dulong–Petit’s law at high temperature, while at low-temperature it obeys the Debye’s T 3 law

  19. High-pressure structural behaviour of nanocrystalline Ge

    International Nuclear Information System (INIS)

    Wang, H; Liu, J F; He, Y; Wang, Y; Chen, W; Jiang, J Z; Olsen, J Staun; Gerward, L

    2007-01-01

    The equation of state and the pressure of the I-II transition have been studied for nanocrystalline Ge using synchrotron x-ray diffraction. The bulk modulus and the transition pressure increase with decreasing particle size for both Ge-I and Ge-II, but the percentage volume collapse at the transition remains constant. Simplified models for the high-pressure structural behaviour are presented, based on the assumption that a large fraction of the atoms reside in grain boundary regions of the nanocrystalline material. The interface structure plays a significant role in affecting the transition pressure and the bulk modulus

  20. Microstructures define melting of molybdenum at high pressures

    Science.gov (United States)

    Hrubiak, Rostislav; Meng, Yue; Shen, Guoyin

    2017-03-01

    High-pressure melting anchors the phase diagram of a material, revealing the effect of pressure on the breakdown of the ordering of atoms in the solid. An important case is molybdenum, which has long been speculated to undergo an exceptionally steep increase in melting temperature when compressed. On the other hand, previous experiments showed nearly constant melting temperature as a function of pressure, in large discrepancy with theoretical expectations. Here we report a high-slope melting curve in molybdenum by synchrotron X-ray diffraction analysis of crystalline microstructures, generated by heating and subsequently rapidly quenching samples in a laser-heated diamond anvil cell. Distinct microstructural changes, observed at pressures up to 130 gigapascals, appear exclusively after melting, thus offering a reliable melting criterion. In addition, our study reveals a previously unsuspected transition in molybdenum at high pressure and high temperature, which yields highly textured body-centred cubic nanograins above a transition temperature.

  1. Phase transitions in solids under high pressure

    CERN Document Server

    Blank, Vladimir Davydovich

    2013-01-01

    Phase equilibria and kinetics of phase transformations under high pressureEquipment and methods for the study of phase transformations in solids at high pressuresPhase transformations of carbon and boron nitride at high pressure and deformation under pressurePhase transitions in Si and Ge at high pressure and deformation under pressurePolymorphic α-ω transformation in titanium, zirconium and zirconium-titanium alloys Phase transformations in iron and its alloys at high pressure Phase transformations in gallium and ceriumOn the possible polymorphic transformations in transition metals under pressurePressure-induced polymorphic transformations in АIBVII compoundsPhase transformations in AIIBVI and AIIIBV semiconductor compoundsEffect of pressure on the kinetics of phase transformations in iron alloysTransformations during deformation at high pressure Effects due to phase transformations at high pressureKinetics and hysteresis in high-temperature polymorphic transformations under pressureHysteresis and kineti...

  2. Fascination at high pressures

    International Nuclear Information System (INIS)

    Chidambaram, R.

    1992-01-01

    Research at high pressures has developed into an interdisciplinary area which has important implications for and applications in the areas of physics, chemistry, materials sciences, planetary sciences, biology, engineering sciences and technology. The state of-the-art in this field is reviewed and future directions are indicated. (M.G.B.)

  3. Vitreous Anorthite (CaAl2Si2O8) at High Pressure: A First-Principles Molecular Dynamics Study

    Science.gov (United States)

    Ghosh, D. B.; Karki, B. B.

    2017-12-01

    structural details suggest that the pressure response of the cold compressed glasses are not only inherently different in the 0 - 10 GPa interval, the density and the average coordination are consistently lower than the hot compressed glasses. Hot-compressed glasses may therefore be the better analog in the study of high-pressure silicate melts.

  4. The study of two methods for high pressure injection in CT enhancement to display the aortic dissecting aneurysm

    International Nuclear Information System (INIS)

    Wang Yang; Zhu Bin; Zhang Zhen

    2008-01-01

    Objective: To discuss the consequences of two different methods of high pressure injection in CT contrast enhancement to display the aortic dissecting aneurysm. Methods: 100 patients underwent Lightspeed 16 MS CT with contrast enhancement of Stellant D high pressure injector (Medrad), injecting speed of 4.0 mL/s and 80 ml dosage of contrast medium. All patients were divided into A and B groups with 50 in each. The single high pressure injection was applied to A group without isotonic Na chloride flush. B group underwent the same high pressure injection and followed by isotonic Na chloride flush. The method of evaluation was carried out by double blind observation. Results: A group revealed radiologic artifact up to 40 cases with positive rate of 80%. B group demonstrated the same kind of radiologic artifact in 26 cases with positive rate of 52%. Conclusions: Using normal saline (sodium chloride solution)flush after high pressure injection of contrast medium during MSCT angiography is obviously better to demonstrate the internal structures of treatvessels. (authors)

  5. Experimental study of the polyamorphism of water. II. The isobaric transitions between HDA and VHDA at intermediate and high pressures

    Science.gov (United States)

    Handle, Philip H.; Loerting, Thomas

    2018-03-01

    Since the first report of very-high density amorphous ice (VHDA) in 2001 [T. Loerting et al., Phys. Chem. Chem. Phys. 3, 5355-5357 (2001)], the status of VHDA as a distinct amorphous ice has been debated. We here study VHDA and its relation to expanded high density amorphous ice (eHDA) on the basis of isobaric heating experiments. VHDA was heated at 0.1 ≤ p ≤ 0.7 GPa, and eHDA was heated at 1.1 ≤ p ≤ 1.6 GPa to achieve interconversion. The behavior upon heating is monitored using in situ volumetry as well as ex situ X-ray diffraction and differential scanning calorimetry. We do not observe a sharp transition for any of the isobaric experiments. Instead, a continuous expansion (VHDA) or densification (eHDA) marks the interconversion. This suggests that a continuum of states exists between VHDA and HDA, at least in the temperature range studied here. This further suggests that VHDA is the most relaxed amorphous ice at high pressures and eHDA is the most relaxed amorphous ice at intermediate pressures. It remains unclear whether or not HDA and VHDA experience a sharp transition upon isothermal compression/decompression at low temperature.

  6. High pressure in situ X-ray diffraction study of MnO to 137 GPa and comparison with shock compression experiment

    Science.gov (United States)

    Yagi, T.; Kondo, T.; Syono, Y.

    1998-07-01

    In order to clarify the nature of the phase transformation in MnO observed at around 90 GPa by shock compression experiment, high pressure in situ X-ray observations were carried out up to 137 GPa. Powdered sample was directly compressed in Mao-Bell type diamond anvil cell and X-ray experiments were carried out using angle dispersive technique by combining synchrotron radiation and imaging plate detector. Distortion of the B1 structured phase was observed above about 40 GPa, which continues to increase up to 90 GPa. Two discontinuous changes of the diffraction profiles were observed at around 90 GPa and 120 GPa. The nature of the intermediate phase between 90 GPa and 120 GPa is not clear yet. It is neither cesium chloride (B2) nor nickel arsenide (B8) structure. On the other hand, the diffraction profile above 120 GPa can be reasonably well explained by the B8 structure. High pressure phases above 90 GPa have metallic luster and all the transformations are reversible on release of pressure.

  7. Structural and optical high-pressure study of spinel-type MnIn2S4

    International Nuclear Information System (INIS)

    Manjon, F.J.; Segura, A.; Pellicer-Porres, J.; Sanchez-Royo, J.F.; Amboage, M.; Itie, J.P.; Flank, A.M.; Lagarde, P.; Polian, A.; Ursaki, V.V.; Tiginyanu, I.M.

    2007-01-01

    We report a combined study of the structural and electronic properties of the spinel-type semiconductor MnIn 2 S 4 under high pressures by means of X-ray diffraction (ADXRD), X-ray absorption (XAS), and optical absorption measurements. The three techniques evidence a reversible structural phase transition near 7 GPa, that according to ADXRD measurements is to a double-NaCl structure. XAS measurements evidence predominant tetrahedral coordination for Mn in the spinel phase that does not noticeably change with increasing pressure up to the phase transition. XAS measurements indicate that the static disorder increases considerably when the sample reverts from the double-NaCl phase to the spinel phase. Optical absorption measurements show that the direct gap of MnIn 2 S 4 exhibits a nonlinear behaviour with a positive pressure coefficient at pressures below 2.5 GPa and a negative pressure coefficient between 2.5 and 7 GPa. The pressure behavior of the bandgap seems to be affected by the defect concentration. The double-NaCl phase also exhibits a bandgap with a negative pressure coefficient. (copyright 2007 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  8. A molecular dynamics study of ambient and high pressure phases of silica: structure and enthalpy variation with molar volume.

    Science.gov (United States)

    Rajappa, Chitra; Sringeri, S Bhuvaneshwari; Subramanian, Yashonath; Gopalakrishnan, J

    2014-06-28

    Extensive molecular dynamics studies of 13 different silica polymorphs are reported in the isothermal-isobaric ensemble with the Parrinello-Rahman variable shape simulation cell. The van Beest-Kramer-van Santen (BKS) potential is shown to predict lattice parameters for most phases within 2%-3% accuracy, as well as the relative stabilities of different polymorphs in agreement with experiment. Enthalpies of high-density polymorphs - CaCl2-type, α-PbO2-type, and pyrite-type - for which no experimental data are available as yet, are predicted here. Further, the calculated enthalpies exhibit two distinct regimes as a function of molar volume-for low and medium-density polymorphs, it is almost independent of volume, while for high-pressure phases a steep dependence is seen. A detailed analysis indicates that the increased short-range contributions to enthalpy in the high-density phases arise not only from an increased coordination number of silicon but also shorter Si-O bond lengths. Our results indicate that amorphous phases of silica exhibit better optimization of short-range interactions than crystalline phases at the same density while the magnitude of Coulombic contributions is lower in the amorphous phase.

  9. Lithium, boron and chlorine as tracers for metasomatism in high-pressure metamorphic rocks: a case study from Syros (Greece)

    Science.gov (United States)

    Marschall, Horst R.; Altherr, Rainer; Gméling, Katalin; Kasztovszky, Zsolt

    2009-03-01

    High-pressure metamorphic (HPM) rocks (derived from igneous protoliths) and their metasomatised rinds from the island of Syros (Greece) were analysed for their B and Cl whole-rock abundances and their H2O content by prompt-gamma neutron-activation analysis (PGNAA) and for their Li and Be whole-rock abundances by ICP-OES. In the HPM rocks, B /Be and Cl /Be ratios correlate with H2O contents and appear to be controlled by extraction of B and Cl during dehydration and prograde metamorphism. In contrast, samples of the metasomatised rinds show no such correlation. B /Be ratios in the rinds are solely governed by the presence or absence of tourmaline, and Cl /Be ratios vary significantly, possibly related to fluid inclusions. Li/Be ratios do not correlate with H2O contents in the HPM rocks, which may in part be explained by a conservative behaviour of Li during dehydration. However, Li abundances exceed the vast majority of published values for Li abundances in fresh, altered, or differentiated oceanic igneous rocks and presumably result from metasomatic enrichment of Li. High Li concentrations and highly elevated Li/Be ratios in most metasomatised samples demonstrate an enrichment of Li in the Syros HP mélange during fluid infiltration. This study suggests that B and Cl abundances of HPM meta-igneous rocks can be used to trace prograde dehydration, while Li concentrations seem to be more sensitive for retrograde metasomatic processes in such lithologies.

  10. High pressure stability analysis and chemical bonding of Ti1-xZrxN alloy: A first principle study

    International Nuclear Information System (INIS)

    Chauhan, Mamta; Gupta, Dinesh C.

    2016-01-01

    First-principles pseudo-potential calculations have been performed to analyze the stability of Ti 1-x Zr x N alloy under high pressures. The first order phase transition from B1 to B2 phase has been observed in this alloy at high pressure. The variation of lattice parameter with the change in concentration of Zr atom in Ti 1-x Zr x N is also reported in both the phases. The calculations for density of states have been performed to understand the alloying effects on chemical bonding of Ti-Zr-N alloy.

  11. Planning study for advanced national synchrotron-radiation facilities

    International Nuclear Information System (INIS)

    1984-01-01

    A new generation of synchrotron-radiation sources based on insertion devices offers gains in photon-beam brilliance as large as the gains that present-day synchrotron sources provided over conventional sources. This revolution in synchrotron capability and its impact on science and technology will be as significant as the original introduction of synchrotron radiation. This report recommends that insertion-device technology be pursued as our highest priority, both through the full development of insertion-device potential on existing machines and through the building of new facilities

  12. High Pressure Scanning Tunneling Microscopy and High PressureX-ray Photoemission Spectroscopy Studies of Adsorbate Structure,Composition and Mobility during Catalytic Reactions on A Model SingleCrystal

    Energy Technology Data Exchange (ETDEWEB)

    Montano, Max O. [Univ. of California, Berkeley, CA (United States)

    2006-01-01

    Our research focuses on taking advantage of the ability of scanning tunneling microscopy (STM) to operate at high-temperatures and high-pressures while still providing real-time atomic resolution images. We also utilize high-pressure x-ray photoelectron spectroscopy (HPXPS) to monitor systems under identical conditions thus giving us chemical information to compare and contrast with the structural and dynamic data provided by STM.

  13. Deuterium high pressure target

    International Nuclear Information System (INIS)

    Perevozchikov, V.V.; Yukhimchuk, A.A.; Vinogradov, Yu.I.

    2001-01-01

    The design of the deuterium high-pressure target is presented. The target having volume of 76 cm 3 serves to provide the experimental research of muon catalyzed fusion reactions in ultra-pure deuterium in the temperature range 80-800 K under pressures of up to 150 MPa. The operation of the main systems of the target is described: generation and purification of deuterium gas, refrigeration, heating, evacuation, automated control system and data collection system

  14. Pneumatic Performance Study of a High Pressure Ejection Device Based on Real Specific Energy and Specific Enthalpy

    Directory of Open Access Journals (Sweden)

    Jie Ren

    2014-09-01

    Full Text Available In high-pressure dynamic thermodynamic processes, the pressure is much higher than the air critical pressure, and the temperature can deviate significantly from the Boyle temperature. In such situations, the thermo-physical properties and pneumatic performance can’t be described accurately by the ideal gas law. This paper proposes an approach to evaluate the pneumatic performance of a high-pressure air catapult launch system, in which esidual functions are used to compensate the thermal physical property uncertainties of caused by real gas effects. Compared with the Nelson-Obert generalized compressibility charts, the precision of the improved virial equation of state is better than Soave-Redlich-Kwong (S-R-K and Peng-Robinson (P-R equations for high pressure air. In this paper, the improved virial equation of state is further used to establish a compressibility factor database which is applied to evaluate real gas effects. The specific residual thermodynamic energy and specific residual enthalpy of the high-pressure air are also derived using the modified corresponding state equation and improved virial equation of state which are truncated to the third virial coefficient. The pneumatic equations are established on the basis of the derived residual functions. The comparison of the numerical results shows that the real gas effects are strong, and the pneumatic performance analysis indicates that the real dynamic thermodynamic process is obviously different from the ideal one.

  15. Structural distortion and electronic properties of NiO under high pressure: an ab initio GGA+U study

    International Nuclear Information System (INIS)

    Zhang Weibing; Hu Yulin; Han Keli; Tang Biyu

    2006-01-01

    The structural distortion and electronic properties of NiO under high pressure are investigated by means of first-principles calculations within the density functional theory (DFT) in the generalized gradient approximation (GGA). The strong electronic correlations are also taken into account in the form of GGA+U. Recent experiments implied that previous local density approximation (LDA) calculations incorrectly predicted structural distortion under high pressure, especially above 60 GPa. The present results show that even GGA calculations do not give a proper description of structural distortion under high pressure, although much improved structural and bulk properties are obtained. When strong correlations are included, overall agreement of the structural distortions of NiO under high pressure is obtained. The lattice constants a and c as well as the axial ratio c/a are in good agreement with experiment over the entire experimental pressure range. The successful prediction of the structural distortion of GGA+U can be attributed to the reasonable description of nearest-neighbour magnetic exchange interactions. In addition, we also analyse the density of states under different pressures. Present results indicate that, with increasing pressure, the bandwidth increases and the bandgap transits from being a mixture of charge-transfer and Mott-Hubbard type towards solely Mott-Hubbard type

  16. High pressure phase transformations revisited.

    Science.gov (United States)

    Levitas, Valery I

    2018-04-25

    High pressure phase transformations play an important role in the search for new materials and material synthesis, as well as in geophysics. However, they are poorly characterized, and phase transformation pressure and pressure hysteresis vary drastically in experiments of different researchers, with different pressure transmitting media, and with different material suppliers. Here we review the current state, challenges in studying phase transformations under high pressure, and the possible ways in overcoming the challenges. This field is critically compared with fields of phase transformations under normal pressure in steels and shape memory alloys, as well as plastic deformation of materials. The main reason for the above mentioned discrepancy is the lack of understanding that there is a fundamental difference between pressure-induced transformations under hydrostatic conditions, stress-induced transformations under nonhydrostatic conditions below yield, and strain-induced transformations during plastic flow. Each of these types of transformations has different mechanisms and requires a completely different thermodynamic and kinetic description and experimental characterization. In comparison with other fields the following challenges are indicated for high pressure phase transformation: (a) initial and evolving microstructure is not included in characterization of transformations; (b) continuum theory is poorly developed; (c) heterogeneous stress and strain fields in experiments are not determined, which leads to confusing material transformational properties with a system behavior. Some ways to advance the field of high pressure phase transformations are suggested. The key points are: (a) to take into account plastic deformations and microstructure evolution during transformations; (b) to formulate phase transformation criteria and kinetic equations in terms of stress and plastic strain tensors (instead of pressure alone); (c) to develop multiscale continuum

  17. High pressure phase transformations revisited

    Science.gov (United States)

    Levitas, Valery I.

    2018-04-01

    High pressure phase transformations play an important role in the search for new materials and material synthesis, as well as in geophysics. However, they are poorly characterized, and phase transformation pressure and pressure hysteresis vary drastically in experiments of different researchers, with different pressure transmitting media, and with different material suppliers. Here we review the current state, challenges in studying phase transformations under high pressure, and the possible ways in overcoming the challenges. This field is critically compared with fields of phase transformations under normal pressure in steels and shape memory alloys, as well as plastic deformation of materials. The main reason for the above mentioned discrepancy is the lack of understanding that there is a fundamental difference between pressure-induced transformations under hydrostatic conditions, stress-induced transformations under nonhydrostatic conditions below yield, and strain-induced transformations during plastic flow. Each of these types of transformations has different mechanisms and requires a completely different thermodynamic and kinetic description and experimental characterization. In comparison with other fields the following challenges are indicated for high pressure phase transformation: (a) initial and evolving microstructure is not included in characterization of transformations; (b) continuum theory is poorly developed; (c) heterogeneous stress and strain fields in experiments are not determined, which leads to confusing material transformational properties with a system behavior. Some ways to advance the field of high pressure phase transformations are suggested. The key points are: (a) to take into account plastic deformations and microstructure evolution during transformations; (b) to formulate phase transformation criteria and kinetic equations in terms of stress and plastic strain tensors (instead of pressure alone); (c) to develop multiscale continuum

  18. Experimental study of the zirconium alloy oxidation under high pressure of steam and modelling of the mechanisms

    International Nuclear Information System (INIS)

    Dali, Yacoub

    2007-01-01

    The corrosion of the cladding materials used for the fuel rods is one of the limiting factor of their lifetime in light water reactors. In this field, the aim of the nuclear industry is today to increase the time and the number of cycles and to submit the claddings in zirconium alloys to higher corrosive conditions. In this way, new alloys devoted to replace the standard Zircaloy-4, for instance Nb containing alloys, have been recently developed and licensed and show better corrosion resistance. A better understanding of the corrosion mechanisms of the zirconium alloys is necessary to predict the corrosion behaviour of these materials. In this work, the oxidation rate of model alloys of two metallurgic families has been studied in steam in a pressure range between 100 milli-bars and 100 bars. The Zircaloy type alloys contain as alloying elements oxygen and/or tin and/or iron and chromium. For the Zr-Nb family, three niobium contents have been studied, respectively 0.2, 0.4 and 1 weight percent of niobium. Our objectives were to understand the variations of the reactivity between the low pressure and the high pressure range, in quantifying the dependency of the corrosion rate with the steam pressure and the alloying element concentrations. The segregation process of the niobium at the surface has also been studied on the Zr-Nb alloys. During this work, a magnetic suspension thermo-balance has been developed and used to follow in-situ the corrosion rate at high pressure of water vapour. The oxide layers have been characterized by many techniques, macro and micro-photo-electrochemistry, XRD, FEG-SEM, XPS, HR-TEM and SIMS. For the Zircaloy type alloys, we have confirmed the major role of the intermetallic precipitates Zr(Fe,Cr) 2 on the corrosion resistance. Unlike the standard Zircaloy-4, for which the oxidation rate does not depend on the pressure of the water vapour and is thus limited by the vacancy diffusion in the oxide layer, we have shown that the rate of the

  19. High pressure research at CHESS

    International Nuclear Information System (INIS)

    Brister, K.

    1992-01-01

    Since February 1990 there has been a dedicated high pressure line at the Cornell High Energy Synchrotron Source (CHESS). This facility provides X-ray instrumentation for energy dispersive X-ray diffraction and Laue diffraction using diamond anvil cells. Both hard-bend magnet and wiggler radiation are available as well as focused monochromatic radiation. In addition, support instrumentation is also available; a ruby system, laser heating, sample loading, and data analysis software. Experienced users need only to bring their diamond anvil cells and samples and can leave with the initial data analysis finished. Research using diamond anvil cells will be introduced and the facility will be described. Some of the diamond anvil cell research done at CHESS will be reviewed, including crystalline to amorphous transitions (R.R. Winters et al., Chem. Phys, in press), properties of C 6 0 under stress (S.J. Duclos et al., Nature 351 (1991) 380), deep earthquakes (T.C. Wu et al., submitted to J. Geophys. Res.)l, and reaching pressures of the center of Earth (A.L. Ruoff et al., Rev. Sci. Instr. 61 (1990) 3830). (orig.)

  20. Compact streak camera for the shock study of solids by using the high-pressure gas gun

    Science.gov (United States)

    Nagayama, Kunihito; Mori, Yasuhito

    1993-01-01

    For the precise observation of high-speed impact phenomena, a compact high-speed streak camera recording system has been developed. The system consists of a high-pressure gas gun, a streak camera, and a long-pulse dye laser. The gas gun installed in our laboratory has a muzzle of 40 mm in diameter, and a launch tube of 2 m long. Projectile velocity is measured by the laser beam cut method. The gun is capable of accelerating a 27 g projectile up to 500 m/s, if helium gas is used as a driver. The system has been designed on the principal idea that the precise optical measurement methods developed in other areas of research can be applied to the gun study. The streak camera is 300 mm in diameter, with a rectangular rotating mirror which is driven by an air turbine spindle. The attainable streak velocity is 3 mm/microsecond(s) . The size of the camera is rather small aiming at the portability and economy. Therefore, the streak velocity is relatively slower than the fast cameras, but it is possible to use low-sensitivity but high-resolution film as a recording medium. We have also constructed a pulsed dye laser of 25 - 30 microsecond(s) in duration. The laser can be used as a light source of observation. The advantage for the use of the laser will be multi-fold, i.e., good directivity, almost single frequency, and so on. The feasibility of the system has been demonstrated by performing several experiments.

  1. Glass transition near the free surface studied by synchrotron radiation

    International Nuclear Information System (INIS)

    Sikorski, M.

    2008-06-01

    A comprehensive picture of the glass transition near the liquid/vapor interface of the model organic glass former dibutyl phthalate is presented in this work. Several surface-sensitive techniques using x-ray synchrotron radiation were applied to investigate the static and dynamic aspects of the formation of the glassy state from the supercooled liquid. The amorphous nature of dibutyl phthalate close to the free surface was confirmed by grazing incidence X-ray diffraction studies. Results from X-ray reflectivity measurements indicate a uniform electron density distribution close to the interface excluding the possibility of surface freezing down to 175 K. Dynamics on sub-μm length-scales at the surface was studied with coherent synchrotron radiation via x-ray photon correlation spectroscopy. From the analysis of the dispersion relation of the surface modes, viscoelastic properties of the dibutyl phthalate are deduced. The Kelvin-Voigt model of viscoelastic media was found to describe well the properties of the liquid/vapor interface below room temperature. The data show that the viscosity at the interface matches the values reported for bulk dibutyl phthalate. The scaled relaxation rate at the surface agrees with the bulk data above 210 K. Upon approaching the glass transition temperature the free surface was observed to relax considerably faster close to the liquid/vapor interface than in bulk. The concept of higher relaxation rate at the free surface is also supported by the results of the quasielastic nuclear forward scattering experiment, during which dynamics on molecular length scales around the calorimetric glass transition temperature is studied. The data were analyzed using mode-coupling theory of the glass transition and the model of the liquid(glass)/vapor interface, predicting inhomogeneous dynamics near the surface. The quasielastic nuclear forward scattering data can be explained when the molecular mobility is assumed to decrease with the increasing

  2. Glass transition near the free surface studied by synchrotron radiation

    Energy Technology Data Exchange (ETDEWEB)

    Sikorski, M.

    2008-06-15

    A comprehensive picture of the glass transition near the liquid/vapor interface of the model organic glass former dibutyl phthalate is presented in this work. Several surface-sensitive techniques using x-ray synchrotron radiation were applied to investigate the static and dynamic aspects of the formation of the glassy state from the supercooled liquid. The amorphous nature of dibutyl phthalate close to the free surface was confirmed by grazing incidence X-ray diffraction studies. Results from X-ray reflectivity measurements indicate a uniform electron density distribution close to the interface excluding the possibility of surface freezing down to 175 K. Dynamics on sub-{mu}m length-scales at the surface was studied with coherent synchrotron radiation via x-ray photon correlation spectroscopy. From the analysis of the dispersion relation of the surface modes, viscoelastic properties of the dibutyl phthalate are deduced. The Kelvin-Voigt model of viscoelastic media was found to describe well the properties of the liquid/vapor interface below room temperature. The data show that the viscosity at the interface matches the values reported for bulk dibutyl phthalate. The scaled relaxation rate at the surface agrees with the bulk data above 210 K. Upon approaching the glass transition temperature the free surface was observed to relax considerably faster close to the liquid/vapor interface than in bulk. The concept of higher relaxation rate at the free surface is also supported by the results of the quasielastic nuclear forward scattering experiment, during which dynamics on molecular length scales around the calorimetric glass transition temperature is studied. The data were analyzed using mode-coupling theory of the glass transition and the model of the liquid(glass)/vapor interface, predicting inhomogeneous dynamics near the surface. The quasielastic nuclear forward scattering data can be explained when the molecular mobility is assumed to decrease with the increasing

  3. A study of energy-size relationship and wear rate in a lab-scale high pressure grinding rolls unit

    Science.gov (United States)

    Rashidi Dashtbayaz, Samira

    This study is focused on two independent topics of energy-size relationship and wear-rate measurements on a lab-scale high pressure grinding rolls (HPGR). The first part of this study has been aimed to investigate the influence of the operating parameters and the feed characteristics on the particle-bed breakage using four different ore samples in a 200 mm x 100 mm lab-scale HPGR. Additionally, multistage grinding, scale-up from a lab-scale HPGR, and prediction of the particle size distributions have been studied in detail. The results obtained from energy-size relationship studies help with better understanding of the factors contributing to more energy-efficient grinding. It will be shown that the energy efficiency of the two configurations of locked-cycle and open multipass is completely dependent on the ore properties. A test procedure to produce the scale-up data is presented. The comparison of the scale-up factors between the data obtained on the University of Utah lab-scale HPGR and the industrial machine at the Newmont Boddington plant confirmed the applicability of lab-scale machines for trade-off studies. The population balance model for the simulation of product size distributions has shown to work well with the breakage function estimated through tests performed on the HPGR at high rotational speed. Selection function has been estimated by back calculation of population balance model with the help of the experimental data. This is considered to be a major step towards advancing current research on the simulation of particle size distribution by using the HPGR machine for determining the breakage function. Developing a technique/setup to measure the wear rate of the HPGR rolls' surface is the objective of the second topic of this dissertation. A mockup was initially designed to assess the application of the linear displacement sensors for measuring the rolls' weight loss. Upon the analysis of that technique and considering the corresponding sources of

  4. A study on environmental pollution caused by radioactive substances and its countermeasure techniques. Part 3. Development on decontamination techniques with high pressure cleaning method

    International Nuclear Information System (INIS)

    Narita, Yasunori; Nozaki, Atsuo; Kakuma, Takayuki; Shinohara, Naohide; Yoshino, Hiroshi

    2012-01-01

    A huge area of Fukushima was contaminated by the radiation released from the nuclear disaster. As a result, decontamination has become an urgent task in densely populated area and developments of an effective decontamination method are desired. So, we carried out the plan of the decontamination methods with a high pressure cleaner in present study. Surface with covered with concrete materials at horizontal plane was washed with high pressure cleaner, consequently, radioactivity was approximately 80% decreased. Further, the wash act with brushing are raised efficiency by 10%. So, the case of washing with surfactant shows no increase efficiency. (author)

  5. High pressure transport and micro-calorimetry studies on quantum phase transitions in Yb heavy fermion systems

    International Nuclear Information System (INIS)

    Colombier, E; Braithwaite, D; Lapertot, G; Salce, B; Knebel, G; Flouquet, J

    2008-01-01

    We present ac microcalorimetry and resistivity measurements under high pressure on new very pure single crystals of YbCu 2 Si 2 having residual resistivity ratios of up to 130 and residual resistivities of less than 1 μΩcm. The onset of magnetic order at high pressure has been detected by ac micro-calorimetry in a diamond anvil cell, and the phase diagram has been established showing magnetic order appearing at 7.6 GPa and 0.95K, and suggesting a possible quantum critical point at a pressure of about 6.5 GPa. The resistivity has been measured under pressure in hydrostatic conditions, but no sign of superconductivity is found close to the expected critical pressure down to T=0.05 K. We discuss these results in comparison with results on cerium based heavy fermion systems

  6. High pressure structural and magnetic studies of LaFe.sub.12./sub.B.sub.6./sub.

    Czech Academy of Sciences Publication Activity Database

    Diop, L.V.B.; Isnard, O.; Arnold, Zdeněk; Itié, J.P.; Kaštil, Jiří; Kamarád, Jiří

    2017-01-01

    Roč. 252, Feb (2017), s. 29-32 ISSN 0038-1098 R&D Projects: GA ČR GA15-03777S Institutional support: RVO:68378271 Keywords : itinerant-electron magnetism * magnetization * high pressure * compressibility Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 1.554, year: 2016

  7. Numerical results from a study of LiH: the proposed standard material for the high pressure shock experiment

    International Nuclear Information System (INIS)

    Rogers, F.J.

    1975-01-01

    It is proposed to send a high pressure shock wave through a layer of LiH and then into a sample of high Z-material, resulting in a reflected shock wave back into the LiH. If the Hugoniot and some reflected Hugoniots for LiH are known the EOS of the sample can be obtained from the ''impedance matching method.'' The theory and its range of validity are described

  8. A beamline for high-pressure studies at the Advanced Light Source with a superconducting bending magnet as the source.

    Science.gov (United States)

    Kunz, Martin; MacDowell, Alastair A; Caldwell, Wendel A; Cambie, Daniella; Celestre, Richard S; Domning, Edward E; Duarte, Robert M; Gleason, Arianna E; Glossinger, James M; Kelez, Nicholas; Plate, David W; Yu, Tony; Zaug, Joeseph M; Padmore, Howard A; Jeanloz, Raymond; Alivisatos, A Paul; Clark, Simon M

    2005-09-01

    A new facility for high-pressure diffraction and spectroscopy using diamond anvil high-pressure cells has been built at the Advanced Light Source on beamline 12.2.2. This beamline benefits from the hard X-radiation generated by a 6 T superconducting bending magnet (superbend). Useful X-ray flux is available between 5 keV and 35 keV. The radiation is transferred from the superbend to the experimental enclosure by the brightness-preserving optics of the beamline. These optics are comprised of a plane parabola collimating mirror, followed by a Kohzu monochromator vessel with Si(111) crystals (E/DeltaE approximately equal 7000) and W/B4C multilayers (E/DeltaE approximately equal 100), and then a toroidal focusing mirror with variable focusing distance. The experimental enclosure contains an automated beam-positioning system, a set of slits, ion chambers, the sample positioning goniometry and area detector (CCD or image-plate detector). Future developments aim at the installation of a second endstation dedicated to in situ laser heating and a dedicated high-pressure single-crystal station, applying both monochromatic and polychromatic techniques.

  9. High pressure ices are not the end of the story for large icy moons habitability: experimental studies of salts effects on high pressure ices and the implications for icy worlds large hydrosphere structure and chemical evolution

    Science.gov (United States)

    Journaux, Baptiste; Abramson, Evan; Brown, J. Michael; Bollengier, Olivier

    2017-10-01

    The presence of several phases of deep high-pressure ices in large icy moons hydrosphere has often been pointed as a major limitation for the habitability of an uppermost ocean. As they are gravitationally stable bellow liquid H2O, they are thought to act as a chemical barrier between the rocky bed and the ocean. Solutes, including salt species such as NaCl and MgSO4, have been suggested inside icy world oceans from remote sensing, magnetic field measurements and chondritic material alteration models. Unfortunately, the pressures and temperatures inside these hydrospheres are very different from the one found in Earth aqueous environments, so most of our current thermodynamic databases do not cover the range of conditions relevant for modeling realistically large icy worlds interiors.Recent experimental results have shown that the presence of solutes, and more particularly salts, in equilibrium with high pressure ices have large effects on the stability, buoyancy and chemistry of all the phases present at these extreme conditions.In particular brines have been measured to be sometimes more dense than the high pressure ices at melting conditions, possibly creating several oceanic layer "sandwiched" in between two ices shells or in contact with the rocky bed.Other effects currently being investigated by our research group also covers ice melting curve depressions that depend on the salt species and incorporation of solutes inside the crystallographic lattice of high pressure ices. Both of these could have very important implication at the planetary scale, enabling thicker/deeper liquid oceans, and allowing chemical transportation through the high pressure ice layer in large icy worlds.We will present the latest results obtained in-situ using diamond anvil cell high pressure allowing to probe the density, chemistry and thermodynamic properties of high pressure ice and aqueous solutions in equilibrium with Na-Mg-SO4-Cl ionic species.We will also discuss the new

  10. Brillouin scattering at high pressures

    International Nuclear Information System (INIS)

    Grimsditch, M.; Polian, A.

    1988-02-01

    Technical advances which have made Brillouin scattering a useful tool in high pressure diamond anvil cell (DAC) studies, viz. multipassing and tandem operation of Fabry-Perot interferometers, are reviewed. Experimental aspects, such as allowed scattering geometries, are outlined and the data analysis required to transform Brillouin spectra into sound velocities and elastic constants is presented. Experimental results on H 2 , N 2 , Ar, and He are presented, and the close relationship between the Brillouin scattering results and equations of state is highlighted

  11. High pressure synthesis of amorphous TiO2 nanotubes

    Directory of Open Access Journals (Sweden)

    Quanjun Li

    2015-09-01

    Full Text Available Amorphous TiO2 nanotubes with diameters of 8-10 nm and length of several nanometers were synthesized by high pressure treatment of anatase TiO2 nanotubes. The structural phase transitions of anatase TiO2 nanotubes were investigated by using in-situ high-pressure synchrotron X-ray diffraction (XRD method. The starting anatase structure is stable up to ∼20GPa, and transforms into a high-density amorphous (HDA form at higher pressure. Pressure-modified high- to low-density transition was observed in the amorphous form upon decompression. The pressure-induced amorphization and polyamorphism are in good agreement with the previous results in ultrafine TiO2 nanoparticles and nanoribbons. The relationship between the LDA form and α-PbO2 phase was revealed by high-resolution transmission electron microscopy (HRTEM study. In addition, the bulk modulus (B0 = 158 GPa of the anatase TiO2 nanotubes is smaller than those of the corresponding bulks and nanoparticles (180-240 GPa. We suggest that the unique open-ended nanotube morphology and nanosize play important roles in the high pressure phase transition of TiO2 nanotubes.

  12. Terbium oxide at high pressures

    International Nuclear Information System (INIS)

    Dogra, Sugandha; Sharma, Nita Dilawar; Singh, Jasveer; Bandhyopadhyay, A.K.

    2011-01-01

    In this work we report the behaviour of terbium oxide at high pressures. The as received sample was characterized at ambient by X-ray diffraction and Raman spectroscopy. The X-ray diffraction showed the sample to be predominantly cubic Tb 4 O 7 , although a few peaks also match closely with Tb 2 O 3 . In fact in a recent study done on the same sample, the sample has been shown to be a mixture of Tb 4 O 7 and Tb 2 O 3 . The sample was subjected to high pressures using a Mao-Bell type diamond anvil cell upto a pressure of about 42 GPa with ruby as pressure monitor

  13. High pressure experimental studies on Na3Fe(PO4)(CO3) and Na3Mn(PO4)(CO3): Extensive pressure behaviors of carbonophosphates family

    Science.gov (United States)

    Gao, Jing; Huang, Weifeng; Wu, Xiang; Qin, Shan

    2018-04-01

    Carbon-bearing phases in the Earth's interior have profound implications for the long-term Earth carbon cycle. Here we investigate high-pressure behaviors of carbonophosphates bonshtedtite Na3Fe(PO4)(CO3) and sidorenkite Na3Mn(PO4)(CO3) in diamond anvil cells up to ∼12 GPa at room temperature. Modifications in in situ synchrotron X-ray diffraction patterns and Raman spectra confirm the structural stability of carbonophosphates within the pressure region. Fitting the third-order Birch-Murnaghan equation of state to the volume compression curve, the isothermal bulk modulus parameters are obtained to be K0 = 56(1) GPa, K0' = 3.3(1), V0 = 303.3(3) Å3 for Na3Fe(PO4)(CO3) and K0 = 54(1) GPa, K0' = 3.4(1), V0 = 313.4(2) Å3 for Na3Mn(PO4)(CO3). Crystallographic axes exhibit an elastic anisotropy with a more compressible c-axis relative to the ab-plane. An inverse linear correlation between the K0 value and the ionic radius of M2+ (M = Mg, Fe, Mn) is well determined for carbonophosphates. The pressure-dependence responsiveness of [PO4] and [CO3] in carbonophosphates show a negative relationship to the M2+ radius. We also discussed the effect of [PO4] group on the structural variations and high-pressure behaviors of carbonates. Furthermore, the geochemical properties of carbonophosphates hold implications to diamond genesis.

  14. High pressure mechanical seal

    Science.gov (United States)

    Babel, Henry W. (Inventor); Anderson, Raymond H. (Inventor)

    1996-01-01

    A relatively impervious mechanical seal is formed between the outer surface of a tube and the inside surface of a mechanical fitting of a high pressure fluid or hydraulic system by applying a very thin soft metal layer onto the outer surface of the hard metal tube and/or inner surface of the hard metal fitting. The thickness of such thin metal layer is independent of the size of the tube and/or fittings. Many metals and alloys of those metals exhibit the requisite softness, including silver, gold, tin, platinum, indium, rhodium and cadmium. Suitably, the coating is about 0.0025 millimeters (0.10 mils) in thickness. After compression, the tube and fitting combination exhibits very low leak rates on the order or 10.sup.-8 cubic centimeters per second or less as measured using the Helium leak test.

  15. High-pressure raman study on single crystalline methane hydrate surrounded by methane in a diamond anvil cell

    International Nuclear Information System (INIS)

    Ohno, Y; Sasaki, S; Kume, T; Shimizu, H

    2008-01-01

    High-pressure Raman measurements have been performed for single crystalline methane hydrate (MH) surrounded by fluid or solid methane in a diamond anvil cell. We successfully obtained the pure O-H stretching and lattice vibration spectra in MH-sI and MH-II phases. In these Raman spectra, there is no Raman band from water or ice-VI. The observed pressure of phase transformation from MH-sI to MH-II is 0.9 GPa, which is the same result as methane hydrate surrounded by water

  16. High pressure studies of A2Mo3O12 negative thermal expansion materials (A2=Al2, Fe2, FeAl, AlGa)

    International Nuclear Information System (INIS)

    Young, Lindsay; Gadient, Jennifer; Gao, Xiaodong; Lind, Cora

    2016-01-01

    High pressure powder X-ray diffraction studies of several A 2 Mo 3 O 12 materials (A 2 =Al 2 , Fe 2 , FeAl, and AlGa) were conducted up to 6–7 GPa. All materials adopted a monoclinic structure under ambient conditions, and displayed similar phase transition behavior upon compression. The initial isotropic compressibility first became anisotropic, followed by a small but distinct drop in cell volume. These patterns could be described by a distorted variant of the ambient pressure polymorph. At higher pressures, a distinct high pressure phase formed. Indexing results confirmed that all materials adopted the same high pressure phase. All changes were reversible on decompression, although some hysteresis was observed. The similarity of the high pressure cells to previously reported Ga 2 Mo 3 O 12 suggested that this material undergoes the same sequence of transitions as all materials investigated in this paper. It was found that the transition pressures for all phase changes increased with decreasing radius of the A-site cations. - Graphical abstract: Overlay of variable pressure X-ray diffraction data of Al 2 Mo 3 O 12 collected in a diamond anvil cell. Both subtle and discontinuous phase transitions are clearly observed. - Highlights: • The high pressure behavior of A 2 Mo 3 O 12 (A=Al, Fe, (AlGa), (AlFe)) was studied. • All compounds undergo the same sequence of pressure-induced phase transitions. • The phase transition pressures correlate with the average size of the A-site cation. • All transitions were reversible with hysteresis. • Previously studied Ga 2 Mo 3 O 12 undergoes the same sequence of transitions.

  17. Equation of state and electronic properties of EuVO{sub 4}: A high-pressure experimental and computational study

    Energy Technology Data Exchange (ETDEWEB)

    Paszkowicz, Wojciech, E-mail: paszk@ifpan.edu.pl [Institute of Physics, Polish Academy of Sciences, al. Lotników 32/46, 02-668 Warsaw (Poland); López-Solano, Javier [Departamento de Física, MALTA Consolider Team, and Instituto de Materiales y Nanotecnología, Universidad de La Laguna, Tenerife 38205 (Spain); Izaña Atmospheric Research Center, Agencia Estatal de Meteorología (AEMET), Tenerife 38071 (Spain); Piszora, Paweł [Department of Materials Chemistry, Faculty of Chemistry, Adam Mickiewicz University, Umultowska 89b, 61-614 Poznań (Poland); Bojanowski, Bohdan [Institute of Physics, Szczecin University of Technology, Aleja Piastów 48, 70-310 Szczecin (Poland); Mujica, Andrés; Muñoz, Alfonso [Departamento de Física, MALTA Consolider Team, and Instituto de Materiales y Nanotecnología, Universidad de La Laguna, Tenerife 38205 (Spain); Cerenius, Yngve; Carlson, Stefan [MAX IV Laboratory, Lund University, P.O. Box 118, SE-221 00 Lund (Sweden); Dąbkowska, Hanna [Brockhouse Institute for Materials Research, McMaster University, Hamilton, Ontario L8S 4M1 (Canada)

    2015-11-05

    Structural, elastic and electronic properties of zircon-type and scheelite-type EuVO{sub 4} are investigated experimentally, by in-situ X-ray diffraction using synchrotron radiation, and theoretically within the framework of the density functional theory (DFT) and using the PBE prescription of the exchange-correlation energy. This study was motivated by the fact that the previous knowledge of the equation of state (EOS) was inconclusive due to a large scatter of the experimental and theoretical data, and by the lack of information on the dependence of the electronic structure with pressure. Under the applied experimental conditions, the zircon-type structure transforms to a scheelite-type one at 7.4(2) GPa, whereas the calculations yield a lower zircon–scheelite-coexistence pressure of 4.8 GPa. The experimental part of the study shows that the bulk modulus of the zircon-type phase is 119(3) GPa, perfectly supported by the DFT-calculated value, 119.1 GPa. The bulk modulus for the scheelite-type polymorph is higher, with an experimental value of 135(7) GPa and a theoretical one of 137.4 GPa. Compared to those reported in previous experimental and DFT or semiempirical works, the present values for the zircon-type phase are comparable or slightly lower, whereas those for the scheelite-type phase are markedly lower. Discrepancies between the present results and earlier reported ones are attributed to differences in details of the experimental method such as the pressure transmitting medium and the pressure calibration method. The calculated band structure confirms that zircon-type EuVO{sub 4} is a direct-gap semiconductor, with a bandgap energy at zero pressure of 2.88 eV. Under compression, the bandgap of the zircon phase increases with a coefficient of 10.3 meV/GPa up to the transition pressure, at which point the present calculations show a small drop of the bandgap energy. Above the transition pressure, the bandgap energy of the scheelite phase becomes almost

  18. Equation of state and electronic properties of EuVO4: A high-pressure experimental and computational study

    International Nuclear Information System (INIS)

    Paszkowicz, Wojciech; López-Solano, Javier; Piszora, Paweł; Bojanowski, Bohdan; Mujica, Andrés; Muñoz, Alfonso; Cerenius, Yngve; Carlson, Stefan; Dąbkowska, Hanna

    2015-01-01

    Structural, elastic and electronic properties of zircon-type and scheelite-type EuVO 4 are investigated experimentally, by in-situ X-ray diffraction using synchrotron radiation, and theoretically within the framework of the density functional theory (DFT) and using the PBE prescription of the exchange-correlation energy. This study was motivated by the fact that the previous knowledge of the equation of state (EOS) was inconclusive due to a large scatter of the experimental and theoretical data, and by the lack of information on the dependence of the electronic structure with pressure. Under the applied experimental conditions, the zircon-type structure transforms to a scheelite-type one at 7.4(2) GPa, whereas the calculations yield a lower zircon–scheelite-coexistence pressure of 4.8 GPa. The experimental part of the study shows that the bulk modulus of the zircon-type phase is 119(3) GPa, perfectly supported by the DFT-calculated value, 119.1 GPa. The bulk modulus for the scheelite-type polymorph is higher, with an experimental value of 135(7) GPa and a theoretical one of 137.4 GPa. Compared to those reported in previous experimental and DFT or semiempirical works, the present values for the zircon-type phase are comparable or slightly lower, whereas those for the scheelite-type phase are markedly lower. Discrepancies between the present results and earlier reported ones are attributed to differences in details of the experimental method such as the pressure transmitting medium and the pressure calibration method. The calculated band structure confirms that zircon-type EuVO 4 is a direct-gap semiconductor, with a bandgap energy at zero pressure of 2.88 eV. Under compression, the bandgap of the zircon phase increases with a coefficient of 10.3 meV/GPa up to the transition pressure, at which point the present calculations show a small drop of the bandgap energy. Above the transition pressure, the bandgap energy of the scheelite phase becomes almost constant, with

  19. Results of a photographic study of subcooled forced-convection boiling of high-pressure water and Freon-12

    International Nuclear Information System (INIS)

    Macbeth, R.V.; Wood, R.W.

    1980-06-01

    The use of a 'Freon' to model high-pressure boiling water has been employed successfully in a number of applications. A prerequisite in modelling is that a well tried and proven basis for the modelling exists. This is not entirely the situation with subcooled boiling however, since past work had tended to concentrate on bulk boiling conditions. Since many of the questions that arise in the design of subcooled boiling systems are concerned with two-phase flow structure, it was decided to place emphasis on attempting to match photographs of subcooled two-phase conditions in high-pressure water (at 55.2 and 82.7 bar) with those of Freon-12 at the corresponding pressures (8.13 and 12.75 bar). A special test-section was constructed giving visual access to a vapour forming region and to an unheated region into which vapour bubbles were drawn by the flow of subcooled liquid. The photographs obtained show that close similarity of two-phase flow structure exists in water and in Freon at corresponding conditions as determined by a previously established modelling procedure. (U.K.)

  20. Novel structures and superconductivities of calcium–lithium alloys at high pressures: A first-principles study

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Ying, E-mail: xuying3270@cust.edu.cn; Chen, Changbo; Wang, Sihan; Sun, Xiuping

    2016-06-05

    Exposing a material to high pressures can fundamentally influence its crystal and electronic structure, leading to the formation of new materials with unique physical and chemical properties. Here, we have conducted a systematic search for Ca–Li alloys by using a global minima search based on particle-swarm optimization algorithm in combination with density functional theory calculations. We predict that Calcium and Lithium with a high Ca composition CaLi, Ca{sub 2}Li and Ca{sub 3}Li exist, and a strikingly decomposition-combination-decomposition oscillating behavior with pressure is revealed. All predicted Ca–Li compounds are metallic and good electron–phonon superconductors with transition temperatures (T{sub c}) of around 8–19 K. The superconductivity mainly originates from the low-energy Ca vibrations and the pressure dependence of T{sub c} is dominated by the phonon softening/hardening. - Highlights: • Three high Ca compositions of CaLi, Ca{sub 2}Li, and Ca{sub 3}Li alloys have been predicted. • High superconducting temperatures were predicted for Ca–Li alloys at high pressures. • The origin of the superconductivity is revealed. • The superconducting temperature increases with increasing pressures for Fd-3m CaLi. • The Fd-3m phase of CaLi is a potential high-temperature superconductor.

  1. Novel structures and superconductivities of calcium–lithium alloys at high pressures: A first-principles study

    International Nuclear Information System (INIS)

    Xu, Ying; Chen, Changbo; Wang, Sihan; Sun, Xiuping

    2016-01-01

    Exposing a material to high pressures can fundamentally influence its crystal and electronic structure, leading to the formation of new materials with unique physical and chemical properties. Here, we have conducted a systematic search for Ca–Li alloys by using a global minima search based on particle-swarm optimization algorithm in combination with density functional theory calculations. We predict that Calcium and Lithium with a high Ca composition CaLi, Ca_2Li and Ca_3Li exist, and a strikingly decomposition-combination-decomposition oscillating behavior with pressure is revealed. All predicted Ca–Li compounds are metallic and good electron–phonon superconductors with transition temperatures (T_c) of around 8–19 K. The superconductivity mainly originates from the low-energy Ca vibrations and the pressure dependence of T_c is dominated by the phonon softening/hardening. - Highlights: • Three high Ca compositions of CaLi, Ca_2Li, and Ca_3Li alloys have been predicted. • High superconducting temperatures were predicted for Ca–Li alloys at high pressures. • The origin of the superconductivity is revealed. • The superconducting temperature increases with increasing pressures for Fd-3m CaLi. • The Fd-3m phase of CaLi is a potential high-temperature superconductor.

  2. Possibilities and limitations of parametric Rietveld refinement on high pressure data. The case study of LaFeO3

    International Nuclear Information System (INIS)

    Etter, Martin; Mueller, Melanie; Dinnebier, Robert E.; Hanfland, Michael

    2014-01-01

    Parametric Rietveld refinement is a powerful technique to apply directly physical or empirical equations to the refinement of in situ powder diffraction data. In order to investigate the possibilities and limitations of parametric Rietveld refinements for high pressure data four competitive crystallographic approaches were used to carry out a full structural investigation of the orthoferrite LaFeO 3 (Pbnm at ambient conditions) under high pressure up to 47 GPa. Approach A with traditional Rietveld refinement using atomic coordinates, Approach B where the Rietveld refinement was done by using the rigid body method, Approach C where symmetry modes were used and Approach D where the newly developed method of the rotational symmetry mode description for a rigid body was used. For all approaches sequential as well as parametric refinements were carried out, confirming a second order phase transition of LaFeO 3 to a higher symmetric phase (space group Ibmm) at around 21.1?GPa and an isostructural first order phase transition at around 38 GPa. Limitations due to non-hydrostatic conditions as well as the possibilities of a direct modeling of phase transitions with parametric Rietveld refinement are discussed in detail. (orig.)

  3. Structural phase transition of BaZrO3 under high pressure

    International Nuclear Information System (INIS)

    Yang, Xue; Li, Quanjun; Liu, Ran; Liu, Bo; Zhang, Huafang; Jiang, Shuqing; Zou, Bo; Cui, Tian; Liu, Bingbing; Liu, Jing

    2014-01-01

    We studied the phase transition behavior of cubic BaZrO 3 perovskite by in situ high pressure synchrotron X-ray diffraction experiments up to 46.4 GPa at room temperature. The phase transition from cubic phase to tetragonal phase was observed in BaZrO 3 for the first time, which takes place at 17.2 GPa. A bulk modulus 189 (26) GPa for cubic BaZrO 3 is derived from the pressure–volume data. Upon decompression, the high pressure phase transforms into the initial cubic phase. It is suggested that the unstable phonon mode caused by the rotation of oxygen octahedra plays a crucial role in the high pressure phase transition behavior of BaZrO 3

  4. Synchrotron radiation

    International Nuclear Information System (INIS)

    Knotek, M.L.

    1987-01-01

    Synchrotron radiation has had a revolutionary effect on a broad range of scientific studies, from physics, chemistry and metallurgy to biology, medicine and geoscience. The situation during the last decade has been one of very rapid growth, there is a great vitality to the field and a capability has been given to a very broad range of scientific disciplines which was undreamed of just a decade or so ago. Here we will discuss some of the properties of synchrotron radiation that makes it so interesting and something of the sources in existence today including the National Synchrotron Light Source (NSLS). The NSLS is one of the new facilities built specifically for synchrotron radiation research and the model that was developed there for involvement of the scientific community is a good one which provides some good lessons for these facilities and others

  5. High Pressure Scanning Tunneling Microscopy Studies of AdsorbateStructure and Mobility during Catalytic Reactions: Novel Design of anUltra High Pressure, High Temperature Scanning Tunneling MicroscopeSystem for Probing Catalytic Conversions

    Energy Technology Data Exchange (ETDEWEB)

    Tang, David Chi-Wai [Univ. of California, Berkeley, CA (United States)

    2005-05-16

    The aim of the work presented therein is to take advantage of scanning tunneling microscope’s (STM) capability for operation under a variety of environments under real time and at atomic resolution to monitor adsorbate structures and mobility under high pressures, as well as to design a new generation of STM systems that allow imaging in situ at both higher pressures (35 atm) and temperatures (350 °C).

  6. Exploring the behavior of molybdenum diboride (MoB2): A high pressure x-ray diffraction study

    International Nuclear Information System (INIS)

    Liu, Pingping; Peng, Fang; Yin, Shuai; Liu, Fangming; Wang, Qiming; Zhu, Xuhui; Wang, Pei; He, Duanwei; Liu, Jing

    2014-01-01

    Investigation of the equation of state of molybdenum diboride (MoB 2 ) has been performed to 24.1 GPa using synchrotron radiation angle-dispersive x-ray diffraction techniques (ADXRD) in a diamond anvil cell (DAC) at room temperature. Rietveld refinement of the X-ray powder diffraction data reveals that the rhombohedral structure MoB 2 is stable up to 24.1 GPa. The ADXRD data yield a bulk modulus K 0  = 314(11) GPa with a pressure derivative K 0 ′  = 6.4(1.5). The experimental data are discussed and compared to the results of first-principles calculations. In addition, the compressibility of the unit cell axes (a and c axes) of MoB 2 demonstrates an anisotropic property with pressure increasing

  7. High pressure synthesis of zeolite/polymer nanocomposites

    Energy Technology Data Exchange (ETDEWEB)

    Haines, Julien; Thibaud, Jean-Marc; Rouquette, Jerome; Cambon, Olivier; Di Renzo, Francesco, E-mail: julien.haines@univ-montp2.fr [Institut Charles Gerhardt Montpellier (France); Lee, Arie van der [Institut Europeen des Membranes, Montpellier (France); Scelta, Demetrio; Ceppatelli, Matteo; Dziubek, Kamil; Gorelli, Federico; Bini, Roberto; Santoro, Mario [European Laboratory for Non Linear Spectroscopy, Firenze (Italy)

    2016-07-01

    Full text: Polymerization of simple organic molecules under high pressure in the subnanometric pores of pure SiO{sub 2} zeolites can be used to produce novel nanocomposite materials, which can be recovered at ambient P and have remarkable mechanical, electrical or optical properties. Polymerization of ethylene in silicalite was studied in situ at high pressure by IR and results in a nanocomposite with isolated chains of non-conducting polyethylene strongly confined in the pores based on single crystal x-ray diffraction data. The nanocomposite is much less compressible than silicalite and has a positive rather than a negative thermal expansion coefficient. In order to target novel electrical and optical properties, isolated chains of conducting polymers can also be prepared in the pores of zeolite hosts at high pressure, such as polyacetylene, which was polymerized under pressure in the pores of the 1-D zeolite TON. The structure of this nanocomposite was determined by synchrotron x-ray powder diffraction data with complete pore filling corresponding to one planar polymer chain confined in each pore with a zig-zag configuration in the yz plane. This very strong confinement can be expected to strongly modify the electrical properties of polyacetylene. In this nanocomposite, our theoretical calculations indicate that the electronic density of states of polyacetylene exhibit van Hove singularities related to quantum 1D confinement, which could lead to future technological applications. This new material is susceptible to have applications in nanoelectronics, nanophotonics and energy and light harvesting. Completely novel nanocomposites were prepared by the polymerization of carbon monoxide CO in silicalite and TON. In these materials, isolated, ideal polycarbonyl chains are obtained in contrast to the non-stoichiometric, branched bulk polymers obtained by high pressure polymerization of this simple system. These poly CO/zeolite composites could be interesting energetic

  8. An experimental study of high pressure steam condensation in a vertical tube of passive secondary condensation system

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Sang Jae; No, Hee Cheon [KAIST, Taejon (Korea, Republic of)

    1998-07-01

    To investigate the physical parameters of PSCS (Passive Secondary Condensation System) which is a passive residual heat removal system of CP-1300, the high pressure condensation experiments are performed in a small scale experimental facility. The experimental parameters are the local heat flux and the transfer coefficient and the pressure drop in a condensation heat trasnfer. The film condensation heat transfer coefficients in a vertical tube are calculated from the measured wall temperature difference and compared with the analytical models. A new analytical condensation model is developed based on the annular film flow model. The present model gives marginally better results than those from the Shah model in comparison with the experimental data in the database. Also, experimental data are compared with the results of the RELAP5/MOD3.2 thermal hydraulic code. The RELAP5/MOD3.2 underpredicts the condensation heat transfer coefficients of the present experiment by 50 %.

  9. HSC5: synchrotron radiation and neutrons for cultural heritage studies

    International Nuclear Information System (INIS)

    Michel, Anne; Artioli, G.; Bleuet, P.; Cotte, M.; Tafforeau, P.; Susini, J.; Dumas, P.; Somogyl, A.; Cotte, M.; Kockelmann, W.; Kolar, J.; Areon, I.; Meden, A.; Strlie, M.; Pantos, M.; Vendrell, M.; Wess, T.; Gunneweg, J.

    2007-01-01

    Synchrotron and neutron sources offer recent and additional insight into the records of our cultural past. Over the last years, there has been an increasing demand for access to synchrotron radiation- and neutron-based techniques, and their applications in the fields of archaeological science and cultural heritage. The purpose of this Hercules Specialized Course is to give the participants an introduction to the basic principles of synchrotron radiation and neutron techniques (imaging, microscopy, diffraction, absorption and fluorescence, IR spectroscopy). The school provides cross-disciplinary examples illustrating the abilities of these techniques in a representative range of scientific cases concerning painting, archaeological artefacts, inks, pigments, fossils and the Dead Sea scrolls. This document gathers only the resumes of the lectures

  10. HSC5: synchrotron radiation and neutrons for cultural heritage studies

    Energy Technology Data Exchange (ETDEWEB)

    Michel, Anne [Institut Neel - CNRS, 38 - Grenoble (France); Artioli, G. [Padova Univ. (Italy); Bleuet, P.; Cotte, M.; Tafforeau, P.; Susini, J. [European Synchrotron Radiation Facility, 38 - Grenoble (France); Dumas, P.; Somogyl, A. [SOLEIL Synchrotron, 91 - Gif sur Yvette (France); Cotte, M. [Centre de Recherche et de Restauration des Musees de France, UMR171, 75 - Paris (France)]|[European Synchrotron Radiation Facility, 38 - Grenoble (France); Kockelmann, W. [Science and Technology Facilities Council, Rutherford Appleton Lab. (United Kingdom); Kolar, J. [Ljubljana Univ., Morana RTD, Slovenia, Faculty of Chemistry and Chemical Technology (Slovenia); Areon, I. [Nova Gorica Univ. (Slovenia); Meden, A.; Strlie, M. [Ljubljana Univ., Faculty of Chemistry and Chemical Technology (Slovenia); Pantos, M. [Daresbury Laboratory, Warrington (United Kingdom); Vendrell, M. [Barcelona Univ., dept. of Crystallography and Mineralogy (Spain); Wess, T. [Cardiff Univ., School of Optometry and Institute of Vision (Ireland); Gunneweg, J. [Hebrew Univ., Jerusalem (Israel)

    2007-07-01

    Synchrotron and neutron sources offer recent and additional insight into the records of our cultural past. Over the last years, there has been an increasing demand for access to synchrotron radiation- and neutron-based techniques, and their applications in the fields of archaeological science and cultural heritage. The purpose of this Hercules Specialized Course is to give the participants an introduction to the basic principles of synchrotron radiation and neutron techniques (imaging, microscopy, diffraction, absorption and fluorescence, IR spectroscopy). The school provides cross-disciplinary examples illustrating the abilities of these techniques in a representative range of scientific cases concerning painting, archaeological artefacts, inks, pigments, fossils and the Dead Sea scrolls. This document gathers only the resumes of the lectures.

  11. Synchrotron radiation studies of inorganic-organic semiconductor interfaces

    International Nuclear Information System (INIS)

    Evans, D.A.; Steiner, H.J.; Vearey-Roberts, A.R.; Bushell, A.; Cabailh, G.; O'Brien, S.; Wells, J.W.; McGovern, I.T.; Dhanak, V.R.; Kampen, T.U.; Zahn, D.R.T.; Batchelor, D.

    2003-01-01

    Organic semiconductors (polymers and small molecules) are widely used in electronic and optoelectronic technologies. Many devices are based on multilayer structures where interfaces play a central role in device performance and where inorganic semiconductor models are inadequate. Synchrotron radiation techniques such as photoelectron spectroscopy (PES), near-edge X-ray absorption fine structure (NEXAFS) and X-ray standing wave spectroscopy (XSW) provide a powerful means of probing the structural, electronic and chemical properties of these interfaces. The surface-specificity of these techniques allows key properties to be monitored as the heterostructure is fabricated. This methodology has been directed at the growth of hybrid organic-inorganic semiconductor interfaces involving copper phthalocyanine as the model organic material and InSb and GaAs as the model inorganic semiconductor substrates. Core level PES has revealed that these interfaces are abrupt and chemically inert due to the weak bonding between the molecules and the inorganic semiconductor. NEXAFS studies have shown that there is a preferred orientation of the molecules within the organic semiconductor layers. The valence band offsets for the heterojunctions have been directly measured using valence level PES and were found to be very different for copper phthalocyanine on InSb and GaAs (0.7 and -0.3 eV respectively) although an interface dipole is present in both cases

  12. X-ray and synchrotron studies of porous silicon

    Energy Technology Data Exchange (ETDEWEB)

    Sivkov, V. N., E-mail: svn@dm.komisc.ru [Russian Academy of Sciences, Komi Scientific Center, Ural Branch (Russian Federation); Lomov, A. A. [Russian Academy of Sciences, Physical-Technological Institute (Russian Federation); Vasil' ev, A. L. [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation); Nekipelov, S. V. [Komi State Pedagogical Institute (Russian Federation); Petrova, O. V. [Russian Academy of Sciences, Komi Scientific Center, Ural Branch (Russian Federation)

    2013-08-15

    The results of comprehensive studies of layers of porous silicon of different conductivity types, grown by anodizing standard Si(111) substrates in an electrolyte based on fluoric acid and ethanol with the addition of 5% of iodine and kept in air for a long time, are discussed. Measurements are performed by scanning electron microscopy, high-resolution X-ray diffraction, and ultrasoft X-ray spectroscopy using synchrotron radiation. The structural parameters of the layers (thickness, strain, and porosity) and atomic and chemical composition of the porous-silicon surface are determined. It is found that an oxide layer 1.5-2.3-nm thick is formed on the surface of the silicon skeleton. The near-edge fine structure of the Si 2p absorption spectrum of this layer corresponds to the fine structure of the 2p spectrum of well coordinated SiO{sub 2}. In this case, the fine structure in the Si 2p-edge absorption region of the silicon skeleton is identical to that of the 2p absorption spectrum of crystalline silicon.

  13. Effect of high pressure on the ground state of low doped manganite: a neutron diffraction and transport property study

    International Nuclear Information System (INIS)

    Ghosh, Barnali; Raychaudhuri, A.K.; Siruguri, V.; Chatterji, Tapan; Thomas, Hansen; Mukovskii, Ya.M.

    2013-01-01

    Depending on the doping level x the hole-doped perovskite manganites, like La 1-x Ca x MnO 3 exhibit a wide variety of physical properties. These compounds lead their high sensitivity to thermodynamic variables like temperature, magnetic field and pressure. The structure can be modified by application of high pressure and it can be quantitative that changes the Mn-O bond length and increases the Mn-O-Mn bond angle. In some cases the pressure can bring about qualitative changes in the structure like change in the lattice structure or its symmetry. These structural factors can contribute to the effective electron transfer integral between Mn ions, which in turn can change the magnetic exchanges like the double-exchange as well as the super exchange. For low hole doping (0.15 ≤ x ≤ 0.2), the low temperature ground state is Ferromagnetic insulator (FMI). The ground state of the low doped manganite La 0.79 Ca 0.21 MnO 3 (LCMO) can be destabilized by external hydrostatic pressure. We have done electrical transport measurement under magnetic field and under high pressure for understanding the nature of the resulting phase(s) that arise from the applied hydrostatic pressure. We find that the metallic phase so created under pressure has no appreciable magnetoresistance (MR). The Neutron powder diffraction measurement done on D20 diffractometer (λ=1.3Å) at ILL, Grenoble, France under high hydrostatic pressure up to 10GPa shows that the pressure leads to a change in the crystal structure from orthorhombic to rhombohedral and leading to a change in magnetic structure also; and most importantly collapse of the magnetic moment to a low value that leads to absence of any MR under pressure induced metallization. (author)

  14. High pressure luminescence studies of localized excitations in ZnS doped with Pb2+ and Mn2+

    International Nuclear Information System (INIS)

    House, G.L.; Drickamer, H.G.

    1977-01-01

    High pressure luminescence measurements have been made on ZnS doped with Pb +2 and Mn +2 . The data include changes in peak energy and shape, integrated intensities, and lifetimes. These localized emissions are treated in terms of a single configuration coordinate model. For Pb +2 the emission peak shifted to lower energy by a moderate amount and narrowed. For excitation in the Pb +2 absorption the intensity was independent of pressure, which is consistent with the fact that the energy barrier for radiationless return to the ground state was high at all pressures. For excitation in the ZnS absorption edge the intensity decreased significantly with pressure above about 80 kbar. Data on shifts of the conduction band with pressure would indicate that one is approaching a transition from a direct to indirect transition at high pressure so that decrease in emission intensity may be associated with decreased absorption efficiency. The Mn+ 2 emission peak shifted strongly to lower energy with increasing pressure. The direction and magnitude of the shift were consistent with the predictions of ligand field theory. The intensity doubled in 100 kbar, while the lifetime decreased by roughly a factor of 2. These results could be described in terms of a model for a phonon assisted transition. In addition, peak location, intensity, and lifetime measurements were made on ZnS:Pb:Mn. There is clear evidence of energy transfer by exchange, but in addition there is a nonradiative process in the doubly doped crystal which affects both intensities and lifetimes

  15. High pressure cosmochemistry of major planetary interiors: Laboratory studies of the water-rich region of the system ammonia-water

    Science.gov (United States)

    Nicol, Malcolm; Johnson, Mary; Boone, Steven; Cynn, Hyunchee

    1987-01-01

    Several studies relative to high pressure cosmochemistry of major planetary interiors are summarized. The behavior of gas-ice mixtures at very high pressures, studies of the phase diagram of (NH3) sub x (H2O) sub 1-x at pressures to 5GPa and temperatures from 240 to 370 K, single crystal growth of ammonia dihydrate at room temperature in order to determine their structures by x-ray diffraction, spectroscopy of chemical reactions during shock compression in order to evaluate how the reactions affect the interpretation of equation of state data obtained by shock methods, and temperature and x-ray diffraction measurements made on resistively heated wire in diamond anvil cells in order to obtain phase and structural data relevant to the interiors of terrestrial planets are among the studies discussed.

  16. Structural phase transitions in Iron - based superconductors BaFe2-xCrxAs2 under high pressure

    International Nuclear Information System (INIS)

    Uhoya, W.O.; Montgomery, J.M.; Samudrala, G.K.; Tsoi, G.M.; Vohra, Y.K.; Sefar, A.S.

    2011-01-01

    Pure BaFe 2 As 2 with the ThCr 2 Si 2 -type crystal structure under ambient conditions is known to superconduct under high pressure and undergo an isostructural phase transition from tetragonal to collapsed tetragonal phase which is accompanied by anomalous compressibility effects. Presently, there is no reported work on the crystal structure on any of the chemically doped 122- iron based superconductors under high pressure. We have carried out the electrical resistance measurements and high pressure X-ray diffraction studies on Chromium doped samples of BaFe 2-x Cr x As 2 (x = 0, 0.05, 0.15, 0.4, 0.61) to a pressure of 75 GPa and a temperature of 10K using a synchrotron source and designer diamond anvils, so as to investigate the influence of chemical doping and high pressure on crystal structure and superconductivity

  17. Synchrotron radiation XRF microprobe study of human bone tumor slice

    International Nuclear Information System (INIS)

    Huang Yuying; Zhao Limin; Wang Zhouguang; Shao Hanru; Li Guangcheng; Wu Yingrong; He Wei; Lu Jianxin; He Rongguo

    1999-01-01

    The experimental apparatus of X-ray fluorescence (XRF) microprobe analysis at Beijing Synchrotron Radiation Facility (BSRF) is described. Using the bovine liver as the standard reference, the minimum detection limit (MDL) of trace element was measured to determine the capability of biological sample analysis by synchrotron radiation XRF microprobe. The relative change of the content of the major or trace element in the normal and tumor part of human bone tissue slice was investigated. The experimental result relation to the clinical medicine was also discussed. (author)

  18. High-pressure studies on electronic and mechanical properties of FeBO3 (B = Ti, Mn, Cr) ceramics - a first-principles study

    Science.gov (United States)

    Kishore, N.; Nagarajan, V.; Chandiramouli, R.

    2018-04-01

    Using the density functional theory (DFT) method, the electronic and mechanical properties of perovskites FeBO3 (B = Ti, Mn, Cr) nanostructures were studied in the pressure range of 0-100 GPa. The band structure studies show the change in the band structure upon substitution of different B cation in FeBO3 perovskite structure. The density of states spectrum gives the perception of change in the electronic properties of FeBO3 with the substitution of B cation. The bulk, shear and Young's moduli were calculated and an increase in the moduli is noticed. Moreover, the hardness increases under high pressure. The high-pressure studies of FeBO3 perovskite nanostructures are explored at atomistic level. The findings show that ductility and hardness of FeBO3 get increased upon an increase in the applied pressure. The substitution of Ti, Mn and Cr on FeBO3 shows a significant change in the electronic and mechanical properties.

  19. High pressure experimental water loop

    International Nuclear Information System (INIS)

    Grenon, M.

    1958-01-01

    A high pressure experimental water loop has been made for studying the detection and evolution of cladding failure in a pressurized reactor. The loop has been designed for a maximum temperature of 360 deg. C, a maximum of 160 kg/cm 2 and flow rates up to 5 m 3 /h. The entire loop consists of several parts: a main circuit with a canned rotor circulation pump, steam pressurizer, heating tubes, two hydro-cyclones (one de-gasser and one decanter) and one tubular heat exchanger; a continuous purification loop, connected in parallel, comprising pressure reducing valves and resin pots which also allow studies of the stability of resins under pressure, temperature and radiation; following the gas separator is a gas loop for studying the recombination of the radiolytic gases in the steam phase. The preceding circuits, as well as others, return to a low pressure storage circuit. The cold water of the low pressure storage flask is continuously reintroduced into the high pressure main circuit by means of a return pump at a maximum head of 160 kg /cm 2 , and adjusted to the pressurizer level. This loop is also a testing bench for the tight high pressure apparatus. The circulating pump and the connecting flanges (Oak Ridge type) are water-tight. The feed pump and the pressure reducing valves are not; the un-tight ones have a system of leak recovery. To permanently check the tightness the circuit has been fitted with a leak detection system (similar to the HRT one). (author) [fr

  20. Study on interfacial heat transfer coefficient at metal/die interface during high pressure die casting process of AZ91D alloy

    Directory of Open Access Journals (Sweden)

    GUO Zhi-peng

    2007-02-01

    Full Text Available The high pressure die casting (HPDC process is one of the fastest growing and most efficient methods for the production of complex shape castings of magnesium and aluminum alloys in today’s manufacturing industry.In this study, a high pressure die casting experiment using AZ91D magnesium alloy was conducted, and the temperature profiles inside the die were Measured. By using a computer program based on solving the inverse heat problem, the metal/die interfacial heat transfer coefficient (IHTC was calculated and studied. The results show that the IHTC between the metal and die increases right after the liquid metal is brought into the cavity by the plunger,and decreases as the solidification process of the liquid metal proceeds until the liquid metal is completely solidified,when the IHTC tends to be stable. The interfacial heat transfer coefficient shows different characteristics under different casting wall thicknesses and varies with the change of solidification behavior.

  1. High pressure studies of magnetic, electronic, and local structure properties in the rare-earth orthoferrites RFeO3 (R = Nd, Lu)

    International Nuclear Information System (INIS)

    Gavriliuk, A.G.; Stepanov, G.N.; Lyubutin, I.S.; Stepin, A.S.; Trojan, I.A.; Sidorov, V.A.

    2000-01-01

    The high pressure modification of the electronic structure, magnetic properties, and local crystal structure have been studied in the rare-earth RFeO 3 (R=Nd, Lu) orthoferrites in both pure single crystals and polycrystalline samples doped with Sn. The pressure dependences of the unit cell parameters, Neel temperatures, supertransferred hyperfine magnetic fields at tin nuclei H Sn , and the optical absorption edge have been obtained. The relations of the obtained values with the geometry of exchange interactions were analyzed

  2. Neutron diffraction study of structural transformations in ternary systems of HgSe sub 1 sub - sub x S sub x mercury chalcogenides at high pressure

    CERN Document Server

    Voronin, V I; Berger, I F; Glazkov, V P; Kozlenko, D P; Savenko, B N; Tikhomirov, S V

    2001-01-01

    The structure of the ternary systems of the HgSe sub 1 sub - sub x S sub x mercury chalcogenides is studied at high pressures up to 35 kbar. It is established that by increase in the pressure in the HgSe sub 1 sub - sub x S sub x there takes place the transition from the sphalerite type cubic structure to the cinnabar type hexagonal structure, which is accompanied by the jump-like change in the elementary cell volume and interatomic distances. The parameters of the elementary cell and positional parameters of the Hg and Se/S for the hexagonal phase of high pressure are determined. The existence of the two-phase state in the area of the phase transformation is determined

  3. SrWO{sub 4} at high pressures

    Energy Technology Data Exchange (ETDEWEB)

    Grzechnik, A. [Departamento de Fisica de la Materia Condensada, Universidad del Pais Vasco, Apdo. 644, Bilbao 48080 (Spain); European Synchrotron Radiation Facility, B.P. 220, 38043 Grenoble cedex (France); Crichton, W.A.; Hanfland, M. [European Synchrotron Radiation Facility, B.P. 220, 38043 Grenoble cedex (France)

    2005-11-01

    Room-temperature high-pressure behaviour of SrWO{sub 4} scheelite (I4{sub 1}/a, Z=4) has been studied to 20.7 GPa in a diamond anvil cell using synchrotron angle-dispersive X-ray powder diffraction. Above 10 GPa, it transforms to the fergusonite structure (I2/a, Z=4). Both scheelite and fergusonite types are ordered superstructures of fluorite (Fm anti 3m, Z=4). There is no significant volume collapse at the scheelite-fergusonite phase transition. However, the compression data including both phases of strontium tungstate cannot be fitted by a common Birch-Murnaghan equation of state. An onset of decomposition into component oxides occurs at about 15 GPa. The pressure-induced transformations are irreversible. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  4. Synthesis and properties of selenium trihydride at high pressures

    Science.gov (United States)

    Zhang, Xiao; Xu, Wan; Wang, Yu; Jiang, Shuqing; Gorelli, Federico A.; Greenberg, Eran; Prakapenka, Vitali B.; Goncharov, Alexander F.

    2018-02-01

    The chemical reaction products of molecular hydrogen (H2) with selenium (Se) are studied by synchrotron x-ray diffraction (XRD) and Raman spectroscopy at high pressures. We find that a common H2Se is synthesized at 0.3 GPa using laser heating. Upon compression at 300 K, a crystal of the theoretically predicted Cccm H3Se has been grown at 4.6 GPa. At room temperature, H3Se shows a reversible phase decomposition after laser irradiation above 8.6 GPa, but remains stable up to 21 GPa. However, at 170 K Cccm H3Se persists up to 39.5 GPa based on XRD measurements, while low-temperature Raman spectra weaken and broaden above 23.1 GPa. At these conditions, the sample is visually nontransparent and shiny suggesting that metallization occurred.

  5. Synchrotron radiation : characteristics and application in structural studies and phase transformations of materials

    International Nuclear Information System (INIS)

    Craievich, A.F.

    1984-01-01

    The main characteristics of the synchrotron radiation for studying atomic structure and phase transformations in materials are presented. Some specific applications in alloys, glass and solids are described. (E.G.) [pt

  6. Equilibrium studies on liquid ammonia-potassium amide-hydrogen system at high pressures and temperatures (Preprint No. CA-10)

    International Nuclear Information System (INIS)

    Donde, M.M.; Srinivasa, K.; Raman, S.

    1989-04-01

    Insoluble deposits were observed to form during the operation of Heavy Water Plant at Talcher, based on ammonia-hydrogen exchange process with potassium amide as catalyst. Experiments were undertaken to investigate this phenomenon under controlled conditions in the laboratory employing high pressures and elevated temperatures. It was observed that deposit formation was very minimal in the autoclave and no visible deposit was left on the strainer-filter, in all the experiments. Deposit analysis showed the presence of potassium hydroxide monohydrate as major component and alpha-potassium hydroxide and potassium azide as minor components. It is suggested that the presence of hydroxide may be due to the reaction of amide with the residual moisture in the system during the experiment and any ingress of moisture while opening for collection of deposit. Azide formation is explained by following reactions occurring during the experiments. NH 3 +KNH 2 →NH 2 -NH 2 +KH; NH 2 -NH 2 +KNH 2 →KN 3 +3H 2 . (author). 1 fig

  7. Development of a Rotation Drickamer Apparatus for Deformation Studies Under High Pressure and High Temperature: Applications to magnesiowustite and Wadsleyite

    Science.gov (United States)

    Xu, Y.; Karato, S.

    2002-12-01

    Well-controlled high-pressure deformation experiments are critical for understanding the dynamics of Earth's interior. Most of the previous works on ultrahigh-pressure (P>10 GPa) deformation experiments have two limitations. (1) The mode of deformation is "stress-relaxation", in which stress changes with time in a given experiment, and (2) the magnitude of stress is limited (press combined with a rotation actuator involving an ac servo-motor. After the desired pressure and temperature are reached, torsional stress can be applied to a sample with a constant rotation rate. The advantage of this design is that the direction of shear deformation is normal to that of compression and therefore compression and deformation can be separated. A sample (typically ~1.8 mm diameter and ~0.2 mm thickness) is sandwiched between two zirconia plates and two heater plates made of TiC + diamond. Thin foils of W3%Re and W25%Re are inserted between two halves of samples which act as a thermocouple as well as strain markers. We have conducted a preliminary test on MgO at ~12 GPa and ~1470 K to the strain up to ~3. Deformation experiments on wadsleyite are underway to investigate the fabric development and rheology in this mineral.

  8. High-pressure behaviour of selenium-based spinels and related structures - an experimental and theoretical study

    International Nuclear Information System (INIS)

    Waskowska, A; Gerward, L; Olsen, J Staun; Feliz, M; Llusar, R; Gracia, L; Marques, M; Recio, J M

    2004-01-01

    The high-pressure structural behaviour of the cubic spinel CdCr 2 Se 4 (space group Fd3barm) and tetragonal CdGa 2 Se 4 (I4bar) has been investigated experimentally and theoretically in order to understand the large difference in compressibility between the two selenides. The experimental values of the bulk modulus for these compounds are 101(2) and 48(2) GPa, respectively. These values compare well with 92 and 44 GPa obtained from first-principles calculations based on the density functional theory formalism. The observed difference in compressibility between the cubic and tetragonal structures can be understood in terms of polyhedral analysis. In a hypothetical cubic spinel structure Fd3barm), the calculated bulk modulus for CdGa 2 Se 4 is 85 GPa. This value together with the experimental and theoretical results for CdCr 2 Se 4 suggest that the selenium-based cubic spinels should have a bulk modulus about 100 GPa, which is half the value found for the oxide spinels

  9. High Pressure Scanning Tunneling Microscopy Studies of Adsorbate Structure and Mobility during Catalytic Reactions. Novel Design of an Ultra High Pressure, High Temperature Scanning Tunneling Microscope System for Probing Catalytic Conversions

    International Nuclear Information System (INIS)

    Tang, David Chi-Wai

    2005-01-01

    The aim of the work presented therein is to take advantage of scanning tunneling microscope's (STM) capability for operation under a variety of environments under real time and at atomic resolution to monitor adsorbate structures and mobility under high pressures, as well as to design a new generation of STM systems that allow imaging in situ at both higher pressures (35 atm) and temperatures (350 C). The design of a high pressure, high temperature scanning tunneling microscope system, that is capable of monitoring reactions in situ at conditions from UHV and ambient temperature up to 1 atm and 250 C, is briefly presented along with vibrational and thermal analysis, as this system serves as a template to improve upon during the design of the new ultra high pressure, high temperature STM. Using this existing high pressure scanning tunneling microscope we monitored the co-adsorption of hydrogen, ethylene and carbon dioxide on platinum (111) and rhodium (111) crystal faces in the mTorr pressure range at 300 K in equilibrium with the gas phase. During the catalytic hydrogenation of ethylene to ethane in the absence of CO the metal surfaces are covered by an adsorbate layer that is very mobile on the time scale of STM imaging. We found that the addition of CO poisons the hydrogenation reaction and induces ordered structures on the single crystal surfaces. Several ordered structures were observed upon CO addition to the surfaces pre-covered with hydrogen and ethylene: a rotated (√19 x √19)R23.4 o on Pt(111), and domains of c(4 x 2)-CO+C 2 H 3 , previously unobserved (4 x 2)-CO+3C 2 H 3 , and (2 x 2)-3CO on Rh(111). A mechanism for CO poisoning of ethylene hydrogenation on the metal single crystals was proposed, in which CO blocks surface metal sites and reduces adsorbate mobility to limit adsorption and reaction rate of ethylene and hydrogen. In order to observe heterogeneous catalytic reactions that occur well above ambient pressure and temperature that more closely

  10. Microbial biofilm study by synchrotron X-ray microscopy

    International Nuclear Information System (INIS)

    Pennafirme, S.; Lima, I.; Bitencourt, J.A.; Crapez, M.A.C.; Lopes, R.T.

    2015-01-01

    Microbial biofilm has already being used to remove metals and other pollutants from wastewater. In this sense, our proposal was to isolate and cultivate bacteria consortia from mangrove’s sediment resistant to Zn (II) and Cu (II) at 50 mg L −1 and to observe, through synchrotron X-ray fluorescence microscopy (microXRF), whether the biofilm sequestered the metal. The biofilm area analyzed was 1 mm 2 and a 2D map was generated (pixel size 20×20 μm 2 , counting time 5 s/point). The biofilm formation and retention followed the sequence Zn>Cu. Bacterial consortium zinc resistant formed dense biofilm and retained 63.83% of zinc, while the bacterial consortium copper resistant retained 3.21% of copper, with lower biofilm formation. Dehydrogenase activity of Zn resistant bacterial consortium was not negatively affect by 50 mg ml −1 zinc input, whereas copper resistant bacterial consortium showed a significant decrease on dehydrogenase activity (50 mg mL −1 of Cu input). In conclusion, biofilm may protect bacterial cells, acting as barrier against metal toxicity. The bacterial consortia Zn resistant, composed by Nitratireductor spp. and Pseudomonas spp formed dense biofilm and sequestered metal from water, decreasing the metal bioavailability. These bacterial consortia can be used in bioreactors and in bioremediation programs. - Highlights: • We studied bacterial bioremediation by microXRF. • Dense biofilm may act sequestering metal while protecting bacterial metabolism. • Nitratireductor spp. and Pseudomonas spp decreased seawater metal bioavailability. • Bacterial consortia from polluted areas may be used in bioremediation programs.

  11. High-pressure X-ray diffraction, Raman, and computational studies of MgCl2 up to 1 Mbar: Extensive pressure stability of the β-MgCl2 layered structure.

    Science.gov (United States)

    Stavrou, Elissaios; Yao, Yansun; Zaug, Joseph M; Bastea, Sorin; Kalkan, Bora; Konôpková, Zuzana; Kunz, Martin

    2016-08-12

    Magnesium chloride (MgCl2) with the rhombohedral layered CdCl2-type structure (α-MgCl2) has been studied experimentally using synchrotron angle-dispersive powder x-ray diffraction and Raman spectroscopy using a diamond-anvil cell up to 100 GPa at room temperature and theoretically using first-principles density functional calculations. The results reveal a pressure-induced second-order structural phase transition to a hexagonal layered CdI2-type structure (β-MgCl2) at 0.7 GPa: the stacking sequence of the Cl anions are altered resulting in a reduction of the c-axis length. Theoretical calculations confirm this phase transition sequence and the calculated transition pressure is in excellent agreement with the experiment. Lattice dynamics calculations also reproduce the experimental Raman spectra measured for the ambient and high-pressure phase. According to our experimental results MgCl2 remains in a 2D layered phase up to 100 GPa and further, the 6-fold coordination of Mg cations is retained. Theoretical calculations of relative enthalpy suggest that this extensive pressure stability is due to a low enthalpy of the layered structure ruling out kinetic barrier effects. This observation is unusual, as it contradicts with the general structural behavior of highly compressed AB2 compounds.

  12. High pressure Raman spectroscopic study of the effects of n-ethylamines and water on the 2-nitropropane/Nitric acid system

    Energy Technology Data Exchange (ETDEWEB)

    Gobin, Cedric; Petitet, Jean Pierre [Laboratoire d' Ingenierie des Materiaux et des Hautes Pressions, CNRS, Institut Galilee, Universite Paris XIII, 99 av. J-B Clement, 93430 Villetaneuse (France)

    2005-12-01

    High pressure Raman spectroscopy measurements in a diamond anvil cell (0-10 GPa) on 2-nitropropane/nitric acid/X (X=triethylamine, diethylamine, and water) ternary systems and 2-nitropropane/nitric acid/water/Y (Y=triethylamine and diethylamine) quaternary systems are reported. The modifications of the chemical behavior of the 2-nitropropane/nitric acid model system, induced by the presence of triethylamine, diethylamine, and/or water, were studied at ambient and high pressure. At ambient pressure, the ionization of the nitric acid has been observed with each of the additives. Moreover, in the case of ethylamines, new peaks have been observed and the hypothesis of a 2-nitropropane/ethylamine complex is advanced. At high pressure, the decomposition of the 2-nitropropane/nitric acid system, with an oxygen balance near zero, has been observed only in presence of triethylamine. The role of each additive to the 2-nitropropane/nitric acid system in the modification of the respective reducing and oxidizing character of the components, and in the reactivity of the system, is discussed. Several hypotheses are advanced concerning the sensitizing effect of the additives on the 2-nitropropane/nitric acid system. (Abstract Copyright [2005], Wiley Periodicals, Inc.)

  13. First-principles study on the phase transition, elastic properties and electronic structure of Pt{sub 3}Al alloys under high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Yanjun [Key Laboratory of Oil and Gas Equipment of Ministry of Education, Southwest Petroleum University, Chengdu, Sichuan 610500 (China); Huang, Huawei [National Key Laboratory for Nuclear Fuel and Materials, Nuclear Power of China, Chengdu, Sichuan 610041 (China); Pan, Yong, E-mail: yongpanyn@163.com [State Key Laboratory of Advanced Technologies for Comprehensive Utilization of Platinum Metals, Kunming 650106 (China); Zhao, Guanghui; Liang, Zheng [Key Laboratory of Oil and Gas Equipment of Ministry of Education, Southwest Petroleum University, Chengdu, Sichuan 610500 (China)

    2014-06-01

    Highlights: • The phase transition of Pt{sub 3}Al alloys occurs at 60 GPa. • The elastic modulus of Pt{sub 3}Al alloys increase with increasing pressure. • The cubic structure has good resistance to volume deformation under high pressure. • The pressure enhances the hybridization between Pt atom and Al atom. - Abstract: The phase transition, formation enthalpies, elastic properties and electronic structure of Pt{sub 3}Al alloys are studied using first-principle approach. The calculated results show that the pressure leads to phase transition from tetragonal structure to cubic structure at 60 GPa. With increasing pressure, the elastic constants, bulk modulus and shear modulus of these Pt{sub 3}Al alloys increase linearly and the bond lengths of Pt–Al metallic bonds and the peak at E{sub F} decrease. The cubic Pt{sub 3}Al alloy has excellent resistance to volume deformation under high pressure. We suggest that the phase transition is derived from the hybridization between Pt and Al atoms for cubic structure is stronger than that of tetragonal structure and forms the strong Pt–Al metallic bonds under high pressure.

  14. First-principles study on the phase transition, elastic properties and electronic structure of Pt3Al alloys under high pressure

    International Nuclear Information System (INIS)

    Liu, Yanjun; Huang, Huawei; Pan, Yong; Zhao, Guanghui; Liang, Zheng

    2014-01-01

    Highlights: • The phase transition of Pt 3 Al alloys occurs at 60 GPa. • The elastic modulus of Pt 3 Al alloys increase with increasing pressure. • The cubic structure has good resistance to volume deformation under high pressure. • The pressure enhances the hybridization between Pt atom and Al atom. - Abstract: The phase transition, formation enthalpies, elastic properties and electronic structure of Pt 3 Al alloys are studied using first-principle approach. The calculated results show that the pressure leads to phase transition from tetragonal structure to cubic structure at 60 GPa. With increasing pressure, the elastic constants, bulk modulus and shear modulus of these Pt 3 Al alloys increase linearly and the bond lengths of Pt–Al metallic bonds and the peak at E F decrease. The cubic Pt 3 Al alloy has excellent resistance to volume deformation under high pressure. We suggest that the phase transition is derived from the hybridization between Pt and Al atoms for cubic structure is stronger than that of tetragonal structure and forms the strong Pt–Al metallic bonds under high pressure

  15. A preliminary study of synchrotron light sources for x-ray lithography

    International Nuclear Information System (INIS)

    Hoffmann, C.R.; Bigham, C.B.; Ebrahim, N.A.; Sawicki, J.A.; Taylor, T.

    1989-02-01

    A preliminary study of synchrotron light sources has been made, primarily oriented toward x-ray lithography. X-ray lithography is being pursued vigorously in several countries, with a goal of manufacturing high-density computer chips (0.25 μm feature sizes), and may attain commercial success in the next decade. Many other applications of soft x-rays appear worthy of investigation as well. The study group visited synchrotron radiation facilities and had discussions with members of the synchrotron radiation community, particularly Canadians. It concluded that accelerator technology for a conventional synchrotron light source appropriate for x-ray lithography is well established and is consistent with skills and experience at Chalk River Nuclear Laboratories. Compact superconducting systems are being developed also. Their technical requirements overlap with capabilities at Chalk River. (32 refs)

  16. HERCULES Specialized Course on Synchrotron radiation and neutrons for extreme conditions studies - HSC12 - slides of the presentations

    International Nuclear Information System (INIS)

    Daniel, I.; Itie, J.P.; Meersman, F.; Jacobs, J.; Hantsetters, K. de; Syassen, K.; Krisch, M.; Mezouar, M.; Mac Millan, P.F.; Salmon, P.; Klotz, S.; Pascarelli, S.; Hansen, T.C.

    2011-01-01

    The purpose of this Hercules Specialized Course (HSC12) is to give the participants an introduction to high pressure research at large experimental facilities such as the synchrotron and the neutron reactor. The basic principles of synchrotron radiation and neutrons techniques at extreme conditions of pressure have been illustrated. Cross-disciplinary examples in a representative range of scientific areas, covering fundamental physics, earth and planetary science, chemistry and material science have been dealt with. Most presentations are dedicated to X-ray diffraction, X-ray absorption and neutron scattering of materials (solids, liquids or glasses) at high pressure. Several presentations deal with the experimental set-up and especially the preparation of the diamond anvil. This document is made up of the slides of the presentations. (A.C.)

  17. Application of a three-dimensional model for a study of the energy transfer of a high-pressure mercury horizontal lamp

    Energy Technology Data Exchange (ETDEWEB)

    Ben Hamida, M. B.; Charrada, K. [Unite d' Etude des Milieux Ionises et Reactifs, IPEIM, 5019 route de Kairouan Monastir (Tunisia)

    2012-06-15

    This paper is devoted to study the dynamics of a discharge lamp with high intensity in a horizontal position. As an example of application, we chose the high-pressure mercury lamp. For this, we realized a three-dimensional model, a stable and powered DC. After the validation of this model, we used it to reproduce the influence of some parameters that have appeared on major transport phenomena of mass and energy in studying the lamp operating in a horizontal position. Indeed, the mass of mercury and the electric current are modified and the effect of convective transport is studied.

  18. High pressure XAFS experiments at the XAFS beamline, INDUS-2

    International Nuclear Information System (INIS)

    Ramanan, Nitya; Lahiri, Debdutta; Garg, Nandini; Sharma, Surinder M.; Bhattacharyya, D.; Jha, S.N.; Sahoo, N.K.

    2011-01-01

    The dispersive EXAFS beamline at the INDUS-2 synchrotron source, RRCAT, Indore uses a bent Si (111) crystal as a dispersive-cum-focusing element and a position sensitive CCD detector to enable instantaneous measurement of the whole EXAFS spectrum around the absorption edge of a particular atom. One of the proposed activities with this beamline is the characterization of amorphous materials under high pressure. Polychromator-based beamline is ideal for high pressure studies using Diamond Anvil Cell (DAC) with ∼ 50 μm sample size. Larger spot size would give rise to unwanted diffraction peaks from diamond, superimposed on the XAFS data. Micro-focusing by polychromator crystal and absence of its mechanical movement (unlike monochromator-based scanning-mode beamlines), during data collection, lead to required focal spot stability for DAC experiments. Currently, the theoretically determined spot size (Horizontal x vertical) varies between 17 x 137 μm and 37 x 142 μm for the X-ray energy range 5 keV-20 keV. To reduce the vertical spot size to <50 μm, we have designed an additional focusing mirror between the polychromator and sample position. The mirror, fabricated at SESO, France will be installed shortly. Meanwhile, we have carried out preliminary XAFS experiments on Sr-compounds at ∼16 keV, under ambient conditions and inside diamond anvil cell, in order to assess the signal intensity and quality. We have obtained reasonably good signal. (author)

  19. JHF synchrotrons

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1999-03-01

    The Japan Hadron Facility (JHF) consists of two synchrotrons and an injector linac. First, we will present a brief review of the specifications and lattice of the synchrotrons; one is 3 GeV booster and the other is 50 GeV main ring. Secondly, some detailed results of design study will be discussed, together with the present status of the R and D programs in progress. Among them, an estimate of beam loss is one of critical issues in beam dynamics. The development of a high gradient RF cavity is also crucial for a high intensity machine. (author)

  20. High-pressure phase transitions of strontianite

    Science.gov (United States)

    Speziale, S.; Biedermann, N.; Reichmann, H. J.; Koch-Mueller, M.; Heide, G.

    2015-12-01

    Strontianite (SrCO3) is isostructural to aragonite, a major high-pressure polymorph of calcite. Thus it is a material of interest to investigate the high-pressure phase behavior of aragonite-group minerals. SrCO3 is a common component of natural carbonates and knowing its physical properties at high pressures is necessary to properly model the thermodynamic properties of complex carbonates, which are major crustal minerals but are also present in the deep Earth [Brenker et al., 2007] and control carbon cycling in the Earth's mantle. The few available high-pressure studies of SrCO3 disagree regarding both pressure stability and structure of the post-aragonite phase [Lin & Liu, 1997; Ono et al., 2005; Wang et al. 2015]. To clarify such controversies we investigated the high-pressure behavior of synthetic SrCO3 by Raman spectroscopy. Using a diamond anvil cell we compressed single-crystals or powder of strontianite (synthesized at 4 GPa and 1273 K for 24h in a multi anvil apparatus), and measured Raman scattering up to 78 GPa. SrCO3 presents a complex high-pressure behavior. We observe mode softening above 20 GPa and a phase transition at 25 - 26.9 GPa, which we interpret due to the CO3 groups rotation, in agreement with Lin & Liu [1997]. The lattice modes in the high-pressure phase show dramatic changes which may indicate a change from 9-fold coordinated Sr to a 12-fold-coordination [Ono, 2007]. Our results confirm that the high-pressure phase of strontianite is compatible with Pmmn symmetry. References Brenker, F.E. et al. (2007) Earth and Planet. Sci. Lett., 260, 1; Lin, C.-C. & Liu, L.-G. (1997) J. Phys. Chem. Solids, 58, 977; Ono, S. et al. (2005) Phys. Chem. Minerals, 32, 8; Ono, S. (2007) Phys. Chem. Minerals, 34, 215; Wang, M. et al. (2015) Phys Chem Minerals 42, 517.

  1. The high-pressure behavior of bloedite

    DEFF Research Database (Denmark)

    Comodi, Paola; Nazzareni, Sabrina; Balic Zunic, Tonci

    2014-01-01

    High-pressure single-crystal synchrotron X‑ray diffraction was carried out on a single crystal of bloedite [Na2Mg(SO4)24H2O] compressed in a diamond-anvil cell. The volume-pressure data, collected up to 11.2 GPa, were fitted by a second- and a third-order Birch-Murnaghan equation of state (EOS....... Pressure decreases significantly the distortion of Na coordination. Up to 10 GPa, the donor-acceptor oxygen distances decrease significantly and the difference between the two water molecules decreases with an increase in the strengths of hydrogen bonds. At the same time, the bond lengths from Na and Mg...... to O atoms of the water molecules decrease faster than other bonds to these cations suggesting that there is a coupling between the Na-Ow and Mg-Ow bond strengths and the “hydrogen transfer” to acceptor O atoms....

  2. Study of moire fringes using synchrotron X-rays

    International Nuclear Information System (INIS)

    Yoshimura, Jun-ichi

    1992-01-01

    It has recently been shown that X-ray moire fringes are not exactly the projection of the intensity distribution of the wave field on the exit surface of the crystal, but do oscillate along the beam path behind the crystal. Such nonprojectiveness of moire fringes is inexplicable by the conventional understanding of moire fringes, and therefore is of interest from a fundamental viewpoint as well as practical one. In this paper the phenomena of the nonprojectiveness are described on the basis of the latest experimental data obtained by synchrotron radiation. (author)

  3. Ultrahigh vacuum and high-pressure coadsorption of CO and H2 on Pd(111): A combined SFG, TDS, and LEED study

    Science.gov (United States)

    Morkel, Matthias; Rupprechter, Günther; Freund, Hans-Joachim

    2003-11-01

    Sum frequency generation (SFG) vibrational spectroscopy was carried out in conjunction with thermal desorption spectroscopy, low-energy electron diffraction, and Auger electron spectroscopy to examine the coadsorption of CO and H2 on Pd(111). Sequential dosing as well as various CO/H2 mixtures was utilized to study intermolecular interactions between CO and H2. Preadsorbed CO effectively prevented the dissociative adsorption of hydrogen for CO coverages ⩾0.33 ML. While preadsorbed hydrogen was able to hinder CO adsorption at low temperature (100 K), hydrogen was replaced from the surface by CO at 150 K. When 1:1 mixtures of CO/H2 were used at 100 K, hydrogen selectively hindered CO adsorption on on-top sites, while above ˜125 K no blocking of CO adsorption was observed. The observations are explained in terms of mutual site blocking, of a CO-H phase separation, and of a CO-assisted hydrogen dissolution in the Pd bulk. The temperature-dependent site blocking effect of hydrogen is attributed to the ability (inability) of surface hydrogen to diffuse into the Pd bulk above (below) ˜125 K. Nonlinear optical SFG spectroscopy allowed us to study these effects not only in ultrahigh vacuum but also in a high-pressure environment. Using an SFG-compatible ultrahigh vacuum-high-pressure cell, spectra of 1:10 CO/H2 mixtures were acquired up to 55 mbar and 550 K, with simultaneous gas chromatographic and mass spectrometric gas phase analysis. Under reaction conditions, CO coverages ⩾0.5 ML were observed which strongly limit H2 adsorption and thus may be partly responsible for the low CO hydrogenation rate. The high-pressure and high-temperature SFG spectra also showed indications of a reversible surface roughening or a highly dynamic (not perfectly ordered) CO adsorbate phase. Implications of the observed adsorbate structures on catalytic CO hydrogenation on supported Pd nanoparticles are discussed.

  4. Ultrahigh vacuum and high-pressure coadsorption of CO and H2 on Pd(111): A combined SFG, TDS, and LEED study

    International Nuclear Information System (INIS)

    Morkel, Matthias; Rupprechter, Guenther; Freund, Hans-Joachim

    2003-01-01

    Sum frequency generation (SFG) vibrational spectroscopy was carried out in conjunction with thermal desorption spectroscopy, low-energy electron diffraction, and Auger electron spectroscopy to examine the coadsorption of CO and H 2 on Pd(111). Sequential dosing as well as various CO/H 2 mixtures was utilized to study intermolecular interactions between CO and H 2 . Preadsorbed CO effectively prevented the dissociative adsorption of hydrogen for CO coverages ≥0.33 ML. While preadsorbed hydrogen was able to hinder CO adsorption at low temperature (100 K), hydrogen was replaced from the surface by CO at 150 K. When 1:1 mixtures of CO/H 2 were used at 100 K, hydrogen selectively hindered CO adsorption on on-top sites, while above ∼125 K no blocking of CO adsorption was observed. The observations are explained in terms of mutual site blocking, of a CO-H phase separation, and of a CO-assisted hydrogen dissolution in the Pd bulk. The temperature-dependent site blocking effect of hydrogen is attributed to the ability (inability) of surface hydrogen to diffuse into the Pd bulk above (below) ∼125 K. Nonlinear optical SFG spectroscopy allowed us to study these effects not only in ultrahigh vacuum but also in a high-pressure environment. Using an SFG-compatible ultrahigh vacuum-high-pressure cell, spectra of 1:10 CO/H 2 mixtures were acquired up to 55 mbar and 550 K, with simultaneous gas chromatographic and mass spectrometric gas phase analysis. Under reaction conditions, CO coverages ≥0.5 ML were observed which strongly limit H 2 adsorption and thus may be partly responsible for the low CO hydrogenation rate. The high-pressure and high-temperature SFG spectra also showed indications of a reversible surface roughening or a highly dynamic (not perfectly ordered) CO adsorbate phase. Implications of the observed adsorbate structures on catalytic CO hydrogenation on supported Pd nanoparticles are discussed

  5. High pressure effect for high-Tc superconductors

    International Nuclear Information System (INIS)

    Takahashi, Hiroki; Tomita, Takahiro

    2011-01-01

    A number of experimental and theoretical studies have been performed to understand the mechanism of high-T c superconductivity and to enhance T c . High-pressure techniques have played a very important role for these studies. In this paper, the high-pressure techniques and physical properties of high-T c superconductor under high pressure are presented. (author)

  6. In-situ Raman spectroscopic study of aluminate speciation in H2O-KOH solutions at high pressures and temperatures

    Science.gov (United States)

    Mookherjee, M.; Keppler, H.; Manning, C. E.

    2009-12-01

    The solubility of corundum in H2O is low even at high pressure and temperatures. Therefore, it is commonly assumed that alumina remains essentially immobile during fluid-rock interaction. However, field and experimental evidence suggests that alumina solubility is strongly enhanced in the presence of silica as well as in alkaline solutions. In order to understand what controls the alumina solubility and how it is enhanced as a function of fluid composition, we conducted Raman-spectroscopic study of Al speciation in aqueous fluids at high pressure and temperature. Experiments were carried out in an externally heated hydrothermal diamond-anvil cell equipped with low-fluorescence diamonds and iridium gaskets. Raman spectra were collected with a Horiba Jobin-Yvon Labram HR spectrometer using the 514 nm line of an argon laser for excitation. In a first series of experiments, the speciation of alumina was studied in a 1 M KOH solution in equilibrium with corundum up to 700 oC and ~1 GPa. The Raman spectra show a prominent band at 618 cm-1 interpreted to arise from Al-O stretching vibrations associated with the tetrahedral [Al(OH)4]1- species. At higher pressure and temperature, an additional vibrational mode appears in the spectra at 374 cm-1 (full width at half maximum ~ 20 cm-1). This feature is tentatively attributed to [(OH)3Al-O-Al(OH)3]2- (Moolenaar et al. 1970, Jour. Phys. Chem., 74, 3629-3636). No evidence for KAl(OH)4 was observed, consistent with piston cylinder experiments at 700 oC and 1 GPa (Wohlers & Manning, 2009, Chem. Geol., 262, 310). Upon cooling from high-pressure and high temperature, slow kinetics of corundum regrowth lead to oversaturation in the solutions, as evidenced by sharp peaks at 930 and 1066 cm-1 observed upon cooling. These features are probably due to colloidal aluminum hydroxide. The results provide the first evidence for aluminate polymerization at high pressure and temperature, and offer insights into the causes for enhancement of

  7. High Pressure Industrial Water Facility

    Science.gov (United States)

    1992-01-01

    In conjunction with Space Shuttle Main Engine testing at Stennis, the Nordberg Water Pumps at the High Pressure Industrial Water Facility provide water for cooling the flame deflectors at the test stands during test firings.

  8. A comparative in vitro study of the digestibility of heat- and high pressure-induced gels prepared from industrial milk whey proteins

    Science.gov (United States)

    He, Jin-Song; Mu, Tai-Hua; Wang, Juan

    2013-06-01

    We undertook this study to compare the digestibility of heat- and high pressure-induced gels produced from whey protein isolate (WPI). To simulate in vivo gastrointestinal digestion of WPI gels, a pepsin-trypsin digestion system was used. The in vitro protein digestibility of WPI gels induced by high pressure (400 MPa and 30 min; P-gel) and those induced by heat (80°C and 30 min; H-gel) was compared using a protein concentration of 0.14 g mL-1. The in vitro protein digestibility of P-gels was significantly greater than that of H-gels (p<0.05). The size-exclusion chromatography profiles of the hydrolysates showed that the P-gel generated more and smaller peptides than natural WPI and H-gels. Furthermore, Sodium dodecyl sulfate-polyacrylamide gel electrophoresis analysis showed some soluble disulfide-mediated aggregation in the P-gel, while there was more insoluble aggregation in the H-gel than the P-gel. The P-gel was more sensitive to proteinase than the H-gel, which was related to the content of S-S bonds, and this in turn could be attributed to the differences in the gelation mechanism between the H-gel and P-gel.

  9. A tracking code for injection and acceleration studies in synchrotrons

    International Nuclear Information System (INIS)

    Lessner, E.; Symon, K.; Univ. of Wisconsin, Madison, WI

    1996-01-01

    CAPTURE-SPC is a Monte-Carlo-based tracking program that simulates the injection and acceleration processes in proton synchrotrons. The time evolution of a distribution of charged particles is implemented by a symplectic, second-order-accurate integration algorithm. The recurrence relations follow a time-stepping leap--frog method. The time-step can be varied optionally to reduce computer time. Space-charge forces are calculated by binning the phase-projected particle distribution. The statistical fluctuations introduced by the binning process are reduced by presmoothing the data by the cloud-in-cell method and by filtering. Both the bin size and amount of filtering can be varied during the acceleration cycle so that the bunch fine structure is retained while the short wavelength noise is attenuated. The initial coordinates of each macro particle together with its time of injection are retained throughout the calculations. This information is useful in determining low-loss injection schemes

  10. High Pressure Spectroscopic Studies of AlGaAs, GaAs, and II-VI Semiconductors and Heterostructures

    National Research Council Canada - National Science Library

    Chandrasekhar, Meera

    1997-01-01

    We have conducted four studies on three different but related materials. The first is a temperature study of a pseudomorphic epilayer of ZnSe on GaAs, where we measured the temperature dependence of the interlayer biaxial strain...

  11. Bulk moduli and high pressure phases of ThX compounds. Pt. 2

    International Nuclear Information System (INIS)

    Staun Olsen, J.; Gerward, L.; Benedict, U.; Luo, H.; Vogt, O.

    1989-01-01

    The high-pressure crystal structures of the members of the ThX series, where X = S, Se and Te, have been studied using synchrotron X-ray diffraction in the pressure range up to about 60 GPa. A distorted fcc structure is observed for ThS above 20 GPa. These transforms to the CsCl structure at 15 GPa. has the CsCl structure already at atmospheric pressure and no further phase transition has been observed. A log-log plot of bulk modulus versus specific volume gives a straight line with slope -1.85. (orig.)

  12. Evaluating scintillator performance in time-resolved hard X-ray studies at synchrotron light sources

    International Nuclear Information System (INIS)

    Rutherford, Michael E.; Chapman, David J.; White, Thomas G.; Drakopoulos, Michael; Rack, Alexander; Eakins, Daniel E.

    2016-01-01

    Scintillator performance in time-resolved, hard, indirect detection X-ray studies on the sub-microsecond timescale at synchrotron light sources is reviewed, modelled and examined experimentally. LYSO:Ce is found to be the only commercially available crystal suitable for these experiments. The short pulse duration, small effective source size and high flux of synchrotron radiation is ideally suited for probing a wide range of transient deformation processes in materials under extreme conditions. In this paper, the challenges of high-resolution time-resolved indirect X-ray detection are reviewed in the context of dynamic synchrotron experiments. In particular, the discussion is targeted at two-dimensional integrating detector methods, such as those focused on dynamic radiography and diffraction experiments. The response of a scintillator to periodic synchrotron X-ray excitation is modelled and validated against experimental data collected at the Diamond Light Source (DLS) and European Synchrotron Radiation Facility (ESRF). An upper bound on the dynamic range accessible in a time-resolved experiment for a given bunch separation is calculated for a range of scintillators. New bunch structures are suggested for DLS and ESRF using the highest-performing commercially available crystal LYSO:Ce, allowing time-resolved experiments with an interframe time of 189 ns and a maximum dynamic range of 98 (6.6 bits)

  13. Evaluating scintillator performance in time-resolved hard X-ray studies at synchrotron light sources

    Energy Technology Data Exchange (ETDEWEB)

    Rutherford, Michael E.; Chapman, David J.; White, Thomas G. [Imperial College London, London (United Kingdom); Drakopoulos, Michael [Diamond Light Source, I12 Joint Engineering, Environmental, Processing (JEEP) Beamline, Didcot, Oxfordshire (United Kingdom); Rack, Alexander [European Synchrotron Radiation Facility, Grenoble (France); Eakins, Daniel E., E-mail: d.eakins@imperial.ac.uk [Imperial College London, London (United Kingdom)

    2016-03-24

    Scintillator performance in time-resolved, hard, indirect detection X-ray studies on the sub-microsecond timescale at synchrotron light sources is reviewed, modelled and examined experimentally. LYSO:Ce is found to be the only commercially available crystal suitable for these experiments. The short pulse duration, small effective source size and high flux of synchrotron radiation is ideally suited for probing a wide range of transient deformation processes in materials under extreme conditions. In this paper, the challenges of high-resolution time-resolved indirect X-ray detection are reviewed in the context of dynamic synchrotron experiments. In particular, the discussion is targeted at two-dimensional integrating detector methods, such as those focused on dynamic radiography and diffraction experiments. The response of a scintillator to periodic synchrotron X-ray excitation is modelled and validated against experimental data collected at the Diamond Light Source (DLS) and European Synchrotron Radiation Facility (ESRF). An upper bound on the dynamic range accessible in a time-resolved experiment for a given bunch separation is calculated for a range of scintillators. New bunch structures are suggested for DLS and ESRF using the highest-performing commercially available crystal LYSO:Ce, allowing time-resolved experiments with an interframe time of 189 ns and a maximum dynamic range of 98 (6.6 bits)

  14. Structural phase transitions in Zn(CN)2 under high pressures

    International Nuclear Information System (INIS)

    Poswal, H.K.; Tyagi, A.K.; Lausi, Andrea; Deb, S.K.; Sharma, Surinder M.

    2009-01-01

    High pressure behavior of zinc cyanide (Zn(CN) 2 ) has been investigated with the help of synchrotron-based X-ray diffraction measurements. Our studies reveal that under pressure this compound undergoes phase transformations and the structures of the new phases depend on whether the pressure is hydrostatic or not. Under hydrostatic conditions, Zn(CN) 2 transforms from cubic to orthorhombic to cubic-II to amorphous phases. In contrast, the non-hydrostatic pressure conditions drive the ambient cubic phase to a partially disordered crystalline phase, which eventually evolves to a substantially disordered phase. The final disordered phase in the latter case is distinct from the amorphous phase observed under the hydrostatic pressures. - Graphical abstract: High pressure X-ray diffraction investigations on Zn(CN) 2 show three phase transformations i.e., cubic→orthorhombic→cubic-II→amorphous. However, the results strongly depend upon the nature of stress

  15. Experimental Study on Hydrate Induction Time of Gas-Saturated Water-in-Oil Emulsion using a High-Pressure Flow Loop

    Directory of Open Access Journals (Sweden)

    Lv X.F.

    2015-11-01

    Full Text Available Hydrate is one of the critical precipitates which have to be controlled for subsea flow assurance. The induction time of hydrate is therefore a significant parameter. However, there have been few studies on the induction time of the natural gas hydrate formation in a flow loop system. Consequently, a series of experiments were firstly performed, including water, natural gas and Diesel oil, on the hydrate induction time under various conditions such as the supercooling and supersaturation degree, water cut, anti-agglomerant dosage, etc. The experiments were conducted in a high-pressure hydrate flow loop newly constructed in the China University of Petroleum (Beijing, and dedicated to flow assurance studies. Then, based on previous research, this study puts forward a method for induction time, which is characterized by clear definition, convenient measurement and good generality. Furthermore, we investigated the influences of the experimental parameters and analyzed the experimental phenomena for the hydrate induction time in a flowing system.

  16. High-pressure studies of superconductivity in BiO0. 75F0. 25BiS2

    Indian Academy of Sciences (India)

    ). We have investigated the effect of pressure on magnetization measurements. Our studies suggest improved superconducting properties in polycrystalline samples of BiO 0.75 F 0.25 BiS 2 . The Tc in our sample is 5.3 K, at ambient pressure, ...

  17. Experimental studies on coherent synchrotron radiation at an emittance exchange beam line

    Directory of Open Access Journals (Sweden)

    J. C. T. Thangaraj

    2012-11-01

    Full Text Available One of the goals of the Fermilab A0 photoinjector is to investigate experimentally the transverse to longitudinal emittance exchange (EEX principle. Coherent synchrotron radiation in the emittance exchange line could limit the performance of the emittance exchanger at short bunch lengths. In this paper, we present experimental and simulation studies of the coherent synchrotron radiation (CSR in the emittance exchange line at the A0 photoinjector. We report on time-resolved CSR studies using a skew-quadrupole technique. We also demonstrate the advantages of running the EEX with an energy-chirped beam.

  18. Fast synchrotron X-ray tomography study of the rod packing structures

    Energy Technology Data Exchange (ETDEWEB)

    Zhang Xiaodan; Xia Chengjie; Sun Haohua; Wang Yujie [Department of Physics, Shanghai Jiao Tong University, 800 Dong Chuan Road, Shanghai 200240 (China)

    2013-06-18

    We present a fast synchrotron X-ray tomography study of the packing structures of rods under tapping. Utilizing the high flux of the X-rays generated from the third-generation synchrotron source, we can complete a tomography scan within several seconds, after which the three-dimensional (3D) packing structure can be obtained for the subsequent structural analysis. Due to the high-energy nature of the X-ray beam, special image processing steps including image phase-retrieval has been implemented. Overall, this study suggests the possibility of acquiring statistically significant static packing structures within a reasonable time scale using high-intensity X-ray sources.

  19. Experimental studies on coherent synchrotron radiation at an emittance exchange beam line

    Science.gov (United States)

    Thangaraj, J. C. T.; Thurman-Keup, R.; Ruan, J.; Johnson, A. S.; Lumpkin, A. H.; Santucci, J.

    2012-11-01

    One of the goals of the Fermilab A0 photoinjector is to investigate experimentally the transverse to longitudinal emittance exchange (EEX) principle. Coherent synchrotron radiation in the emittance exchange line could limit the performance of the emittance exchanger at short bunch lengths. In this paper, we present experimental and simulation studies of the coherent synchrotron radiation (CSR) in the emittance exchange line at the A0 photoinjector. We report on time-resolved CSR studies using a skew-quadrupole technique. We also demonstrate the advantages of running the EEX with an energy-chirped beam.

  20. Transmission electron microscopy studies of C3N4H4 treated at high pressure and high temperature

    International Nuclear Information System (INIS)

    Yu, R C; Chen, L C; Zhu, J L; Li, F Y; Liu, Z X; Qin, Z C; Yu, T N; Jin, C Q; Duan, X F; Zhang, Z

    2002-01-01

    C 3 N 4 H 4 was treated at 6.0 GPa and 1500 deg C for 2.5 min. Powder x-ray measurement shows that the sample is decomposed and a hexagonal graphite phase forms. Transmission electron microscopy studies show that small amounts of diamond and amorphous carbon phase coexist with the graphite phase. Parallel electron energy-loss spectroscopy analysis was also carried out for these phases

  1. X-ray and synchrotron methods in studies of cultural heritage sites

    Energy Technology Data Exchange (ETDEWEB)

    Koval’chuk, M. V.; Yatsishina, E. B.; Blagov, A. E.; Tereshchenko, E. Yu., E-mail: elenatereschenko@yandex.ru; Prosekov, P. A.; Dyakova, Yu. A. [National Research Centre “Kurchatov Institute” (Russian Federation)

    2016-09-15

    X-ray and synchrotron methods that are most widely used in studies of cultural heritage objects (including archaeological sites)—X-ray diffraction analysis, X-ray spectroscopy, and visualization techniques— have been considered. The reported examples show high efficiency and informativeness of natural science studies when solving most diverse problems of archaeology, history, the study of art, museology, etc.

  2. X-ray and synchrotron methods in studies of cultural heritage sites

    International Nuclear Information System (INIS)

    Koval’chuk, M. V.; Yatsishina, E. B.; Blagov, A. E.; Tereshchenko, E. Yu.; Prosekov, P. A.; Dyakova, Yu. A.

    2016-01-01

    X-ray and synchrotron methods that are most widely used in studies of cultural heritage objects (including archaeological sites)—X-ray diffraction analysis, X-ray spectroscopy, and visualization techniques— have been considered. The reported examples show high efficiency and informativeness of natural science studies when solving most diverse problems of archaeology, history, the study of art, museology, etc.

  3. Anomalous He-gas high-pressure studies on superconducting LaO1-xFxFeAs

    International Nuclear Information System (INIS)

    Bi, W; Banks, H B; Schilling, J S; Takahashi, H; Okada, H; Kamihara, Y; Hirano, M; Hosono, H

    2010-01-01

    Ac susceptibility measurements have been carried out on superconducting LaO 1-x F x FeAs for x=0.07 and 0.14 under He-gas pressures to ∼0.8 GPa. Not only do the measured values of dT c /dP differ substantially from those obtained in previous studies using other pressure media, but also the T c (P) dependences observed depend on the detailed pressure/temperature history of the sample. A sizeable sensitivity of T c (P) to shear stresses provides a possible explanation.

  4. X-ray line broadening studies on aluminum nitride, titanium carbide and titanium diboride modified by high pressure shock loading

    International Nuclear Information System (INIS)

    Morosin, B.; Graham, R.A.

    1983-01-01

    Powders of AlN, TiC and TiB 2 have been subjected to controlled shock loading with peak pressures in the samples between 14 to 27 GPa and preserved for post-shock study. Broadened x-ray diffraction peak profiles are analyzed by a simplified method and show increases in residual lattice strain and small decreases in crystallite size. Strain values range from 10 -5 to 10 -4 for TiB 2 and to values larger than 10 -3 for TiC and AlN

  5. Time-resolved diffraction studies of muscle using synchrotron radiation

    International Nuclear Information System (INIS)

    Harford, Jeffrey; Squire, John

    1997-01-01

    Muscle contraction is one of those biological phenomena that we can all appreciate in our everyday lives. Sometimes it is when we are resting quietly and are aware of our heartbeat. At other times it may be when we are exerting ourselves and become short of breath, or when we exercise for a long period and our muscles start to ache. The way in which muscles produce force has exercised the minds of philosophers and scientists at least since the days of Erasistratus in the third century BC. Nowadays, of course, we know a very great deal about muscle structure, physiology and biochemistry, but we still do not know exactly what the molecular process is that produces movement. An ideal way of probing this process would be to be able to obtain signals from the relevant molecules as they actually go through their normal force-generating routine in an active muscle. The spatial dimensions involved are in the region of 1-50 nm, thus precluding the use of light microscopy, and the time regime is microseconds to milliseconds. Techniques with the appropriate spatial resolution might be electron microscopy and x-ray diffraction, but electron microscopy cannot yet be carried out on living tissue. X-ray diffraction methods can clearly have the right sort of spatial resolution, but what about recording diffraction patterns in the very short times involved (say 1 ms)? It is here that the high flux from synchrotron storage rings comes into its own. Using synchrotron radiation from, say, the SRS at the CCLRC Daresbury Laboratory it is possible to record x-ray diffraction patterns from living muscles in the millisecond time regime and to follow how these diffraction patterns change as the muscles go through typical contraction cycles. Unfortunately, x-ray diffraction is not a direct imaging method; the observed distribution of diffracted intensity needs to be interpreted in some way to give useful information on the spatial relationships of the force-generating molecules. This review

  6. A numerical study of the gas-liquid, two-phase flow maldistribution in the anode of a high pressure PEM water electrolysis cell

    DEFF Research Database (Denmark)

    Olesen, Anders Christian; Rømer, Carsten; Kær, Søren Knudsen

    2016-01-01

    In this work, the use of a circular-planar, interdigitated flow field for the anode of a high pressure proton exchange membrane (PEM) water electrolysis cell is investigated in a numerical study. While PEM fuel cells have separated flow fields for reactant transport and coolant, it is possible...... causes maldistribution, if land areas of equal width are applied. Moreover, below a water stoichiometry of 350, and at a current density of 1 A/cm2, flow and temperature maldistribution is adversely affected by the presence of the gas phase; particularly gas hold-up near outlet channels can cause......-phase flow model for establishing the effect of geometry and a two-phase flow model for studying the effect of dispersed gas bubbles. Both models account for turbulence and heat transport. By means of the developed models, it is elucidated that the circular-planar shape of the interdigitated flow field...

  7. High-pressure optical spectroscopy and X-ray diffraction studies on synthetic cobalt aluminum silicate garnet

    DEFF Research Database (Denmark)

    N. Taran, Michail; Nestola, Fabrizio; Ohashi, Haruo

    2007-01-01

    The pressure-induced behavior of spin-allowed dd-bands of VIIICo2+ in the absorption spectra of synthetic Co3Al2Si3O12 garnet was studied from 10-4 to 13 GPa. The plots of the peak energy vs. pressure for the three sharpest well resolved bands at ca. 5160, 17 680, and 18 740 cm-1 display small...... but discernible breaks in linear relations between 4 and 5 GPa. Datafromsingle-crystalX-raydiffractionData from single-crystal X-ray diffraction likewise show discontinuities in trends of CoO8 polyhedral volume and distortion, and Co-O and Si-O bond distances over this pressure range. These effects are related...... to a pressure-induced phase transition from the ß- to a-isostructural polymorph of Co3Al2Si3O12....

  8. Studies of the analytical and preparatory separation of the lanthanide series by means of high-pressure-liquid-chromatography

    International Nuclear Information System (INIS)

    Weuster, W.

    1980-01-01

    With the Elution-system di-iso-propylether/tetrahydrofurane/di-(2-ethylhexyl)-phosphate/nitric acid all lanthanide series elements can be separated. To optimize the separation, these reactions are studied as a function of sorbent, composition, velocity and temperature of eluting agents. The rare earth elements are detected by observation of the extinguishing fluorescence, excited at a wavelength of 240 nm, with a detection limit of 2.5 μg rare earth material per ml of eluate. The method has been used for the determination of rare earth concentrations in minerals and technical products, for chemical separation of rare earths (i.e. Eu/Gd in mg quantities with a 1:10 quantity ratio) and for the separation of rare earth elements from uranium and fission products. In addition the possibility of isotope enrichment has been demonstrated in the case of 144 Sm/ 154 Sm. (DG) [de

  9. First-principles study of elastic and thermodynamic properties of orthorhombic OsB4 under high pressure

    Science.gov (United States)

    Yan, Hai-Yan; Zhang, Mei-Guang; Huang, Duo-Hui; Wei, Qun

    2013-04-01

    The first-principles study on the elastic properties, elastic anisotropy and thermodynamic properties of the orthorhombic OsB4 is reported using density functional theory method with the ultrasoft pseudopotential scheme in the frame of the generalized gradient approximation. The calculated equilibrium parameters are in good agreement with the available theoretical data. A complete elastic tensor and crystal anisotropies of the ultra-incompressible OsB4 are determined in the pressure range of 0-50 GPa. By the elastic stability criteria, it is predicted that the orthorhombic OsB4 is stable below 50 GPa. By using the quasi-harmonic Debye model, the heat capacity, the coefficient of thermal expansion, and the Grüneisen parameter of OsB4 are also successfully obtained in the present work.

  10. First-principles study of the structural, phonon, elastic, and thermodynamic properties of Al_3Ta compound under high pressure

    Directory of Open Access Journals (Sweden)

    W. Leini

    2018-03-01

    Full Text Available We have investigated the phonon, elastic and thermodynamic properties of L1_2 phase Al_3Ta by density functional theory approach combining with quasi-harmonic approximation model. The results of phonon band structure shows that L1_2 phase Al_3Ta possesses dynamical stability in the pressure range from 0 to 80 GPa due to the absence of imaginary frequencies. The pressure dependences of the elastic constants C_ij, bulk modulus B, shear modulus G, Young's modulus Y, B/G and Poisson's ratio ν have been analysed. The elastic constants are satisfied with mechanical stability criteria up to the external pressure of 80 GPa. The results of the elastic properties studies show that Al_3Ta compound possesses a higher hardness, improved ductility and plasticity under higher pressures. Further, we systematically investigate the thermodynamic properties, such as the Debye temperature Θ, heat capacity C_p, and thermal expansion coefficient α, and provide the relationships between thermal parameters and pressure.

  11. White-Beam X-ray Diffraction and Radiography Studies on High-Boron Containing Borosilicate Glass at High Pressures

    Science.gov (United States)

    Ham, Kathryn; Vohra, Yogesh; Kono, Yoshio; Wereszczak, Andrew; Patel, Parimal

    Multi-angle energy-dispersive x-ray diffraction studies and white-beam x-ray radiography were conducted with a cylindrically shaped (1 mm diameter and 0.7 mm high) high-boron content borosilicate glass sample (17.6% B2O3) to a pressure of 13.7 GPa using a Paris-Edinburgh (PE) press at Beamline 16-BM-B, HPCAT of the Advanced Photon Source. The measured structure factor S(q) to large q = 19 Å-1, is used to determine information about the internuclear bond distances between various species of atoms within the glass sample. Sample pressure was determined with gold as a pressure standard. The sample height as measured by radiography showed an overall uniaxial compression of 22.5 % at 13.7 GPa with 10.6% permanent compaction after decompression to ambient conditions. The reduced pair distribution function G(r) was extracted and Si-O, O-O, and Si-Si bond distances were measured as a function of pressure. Raman spectroscopy of pressure recovered sample as compared to starting material showed blue-shift and changes in intensity and widths of Raman bands associated with silicate and B3O6 boroxol rings. US Army Research Office under Grant No. W911NF-15-1-0614.

  12. A DLTS study of the evolution of oxygen precipitates in Si at high temperature and high pressure

    International Nuclear Information System (INIS)

    Antonova, I.V.; Popov, V.P.; Fedina, L.I.; Shaimeev, S.S.; Misiuk, A.

    1996-01-01

    The effect of high hydrostatic pressure on the dissolution of oxygen precipitates introduced beforehand into Si at temperatures of 920-1000 K (over period of 96 h) is investigated by the DLTS method. A measurement procedure, based on the formation of electrically active complexes (interstitial oxygen atom-vacancy) during electron irradiation of the samples, is proposed. It is shown that the precipitates do not decompose when point defects are introduced at room temperature. As the treatment temperature increases (to 1220-1650 K), for the same values of the hydrostatic pressure (up to 1.3 GPa) the intensity of the decomposition of oxygen precipitates increases and at 1650 K they are completely dissolved. Study of the decomposition kinetics showed that hydrostatic pressure raises the limit of solubility of the oxygen atoms Oi and slows down their diffusion. It is determined that the diffusion activation energy Ea, just as the preexponential factor D0, in the expression for the diffusion decrease with increasing hydrostatic pressure, resulting in a lower diffusion. Possible mechanisms for the effect of hydrostatic pressure on oxygen diffusion near a precipitate are discussed

  13. Neutron diffraction study of structural changes in ammonium halides ND4Br and ND4Cl under high pressure

    International Nuclear Information System (INIS)

    Balagurov, A.M.; Kozlenko, D.P.; Savenko, B.N.; Glazkov, V.P.; Somenkov, V.A.

    1997-01-01

    Structural changes in ammonium halides ND 4 Br and ND 4 Cl at pressures up to 45 kbar and up to 35 kbar, respectively, have been studied with the DN-12 diffractometer at the IBR-2 pulsed reactor. For both systems, the equation of state and the position parameter of deuterium atoms as functions of pressure were obtained. The obtained equations of state are nearly the same as the ones for the nondeuterated systems NH 4 Br and NH 4 Cl obtained by the piston displacement technique. It was found that the order - disorder phase transition from the phase in which the ammonium tetrahedra are randomly oriented (CsCl-type cubic structure, space group Pm3m) into the phase in which the ammonium tetrahedra are oriented in parallel (CsCl-type cubic structure, space group P4 bar 3m), occurs at equal critical value of the position parameter u=0.153 ± 0.002 in both systems. It appears to be valid for all of the ammonium halides, and, possibly, for other similar compounds. (author)

  14. Injection characteristics study of high-pressure direct injector for Compressed Natural Gas (CNG) using experimental and analytical method

    Science.gov (United States)

    Taha, Z.; Rahim, MF Abdul; Mamat, R.

    2017-10-01

    The injection characteristics of direct injector affect the mixture formation and combustion processes. In addition, the injector is converted from gasoline operation for CNG application. Thus measurement of CNG direct injector mass flow rate was done by independently tested a single injector on a test bench. The first case investigated the effect of CNG injection pressure and the second case evaluate the effect of pulse-width of injection duration. An analytical model was also developed to predict the mass flow rate of the injector. The injector was operated in a choked condition in both the experiments and simulation studies. In case 1, it was shown that mass flow rate through the injector is affected by injection pressure linearly. Based on the tested injection pressure of 20 bar to 60 bar, the resultant mass flow rate are in the range of 0.4 g/s to 1.2 g/s which are met with theoretical flow rate required by the engine. However, in Case 2, it was demonstrated that the average mass flow rate at short injection durations is lower than recorded in Case 1. At injection pressure of 50 bar, the average mass flow rate for Case 2 and Case 1 are 0.7 g/s and 1.1 g/s respectively. Also, the measured mass flow rate at short injection duration showing a fluctuating data in the range of 0.2 g/s - 1.3 g/s without any noticeable trends. The injector model able to predict the trend of the mass flow rate at different injection pressure but unable to track the fluctuating trend at short injection duration.

  15. Initial studies of synchrotron radiation phase-contrast imaging in the field of medicine

    International Nuclear Information System (INIS)

    Chen Shaoliang; Zhang Xi; Peng Yifeng; Li Beilei; Cheng Aiping; Zhu Peiping; Yuan Xiqing; Huang Wanxia

    2010-01-01

    Recently,research on using X-ray phase information in medicine has been growing remarkably fast. Phase-contrast imaging with synchrotron radiation can reveal inner soft tissues such as tendons, cartilage, ligaments, adipose tissue, vessels and nerves without a contrast agent. We have visualized the liver, bile duct, lung, kidney, stomach and intestine, heart, blood vessel, bone and arthrosis, and tumor tissues using 'in-line' phase contrast imaging and diffraction-enhanced imaging. It is seen that the synchrotron radiation graphs show much higher resolution. This method is especially suitable for studying soft tissue structure and blood vessels. (authors)

  16. Data and videos for ultrafast synchrotron X-ray imaging studies of metal solidification under ultrasound

    Directory of Open Access Journals (Sweden)

    Bing Wang

    2018-04-01

    Full Text Available The data presented in this article are related to the paper entitled ‘Ultrafast synchrotron X-ray imaging studies of microstructure fragmentation in solidification under ultrasound’ [Wang et al., Acta Mater. 144 (2018 505-515]. This data article provides further supporting information and analytical methods, including the data from both experimental and numerical simulation, as well as the Matlab code for processing the X-ray images. Six videos constructed from the processed synchrotron X-ray images are also provided.

  17. A high pressure study of calmodulin-ligand interactions using small-angle X-ray and elastic incoherent neutron scattering.

    Science.gov (United States)

    Cinar, Süleyman; Al-Ayoubi, Samy; Sternemann, Christian; Peters, Judith; Winter, Roland; Czeslik, Claus

    2018-01-31

    Calmodulin (CaM) is a Ca 2+ sensor and mediates Ca 2+ signaling through binding of numerous target ligands. The binding of ligands by Ca 2+ -saturated CaM (holo-CaM) is governed by attractive hydrophobic and electrostatic interactions that are weakened under high pressure in aqueous solutions. Moreover, the potential formation of void volumes upon ligand binding creates a further source of pressure sensitivity. Hence, high pressure is a suitable thermodynamic variable to probe protein-ligand interactions. In this study, we compare the binding of two different ligands to holo-CaM as a function of pressure by using X-ray and neutron scattering techniques. The two ligands are the farnesylated hypervariable region (HVR) of the K-Ras4B protein, which is a natural binding partner of holo-CaM, and the antagonist trifluoperazine (TFP), which is known to inhibit holo-CaM activity. From small-angle X-ray scattering experiments performed up to 3000 bar, we observe a pressure-induced partial unfolding of the free holo-CaM in the absence of ligands, where the two lobes of the dumbbell-shaped protein are slightly swelled. In contrast, upon binding TFP, holo-CaM forms a closed globular conformation, which is pressure stable at least up to 3000 bar. The HVR of K-Ras4B shows a different binding behavior, and the data suggest the dissociation of the holo-CaM/HVR complex under high pressure, probably due to a less dense protein contact of the HVR as compared to TFP. The elastic incoherent neutron scattering experiments corroborate these findings. Below 2000 bar, pressure induces enhanced atomic fluctuations in both holo-CaM/ligand complexes, but those of the holo-CaM/HVR complex seem to be larger. Thus, the inhibition of holo-CaM by TFP is supported by a low-volume ligand binding, albeit this is not associated with a rigidification of the complex structure on the sub-ns Å-scale.

  18. High-pressure boron hydride phases

    International Nuclear Information System (INIS)

    Barbee, T.W. III; McMahan, A.K.; Klepeis, J.E.; van Schilfgaarde, M.

    1997-01-01

    The stability of boron-hydrogen compounds (boranes) under pressure is studied from a theoretical point of view using total-energy methods. We find that the molecular forms of boranes known to be stable at ambient pressure become unstable at high pressure, while structures with extended networks of bonds or metallic bonding are energetically favored at high pressures. If such structures are metastable on return to ambient pressure, they would be energetic as well as dense hydrogen storage media. An AlH 3 -like structure of BH 3 is particularly interesting in that it may be accessible by high-pressure diamond anvil experiments, and should exhibit both second-order structural and metal-insulator transitions at lower pressures. copyright 1997 The American Physical Society

  19. Frozen-in vacancies in PVD-Cu films with improved high-pressure reflowability studied using a slow positron beam

    Energy Technology Data Exchange (ETDEWEB)

    Yabuuchi, A; Kubo, D; Mizuno, M; Araki, H [Division of Materials and Manufacturing Science, Graduate School of Engineering, Osaka University, 2-1 Yamadaoka, Suita, Osaka 565-0871 (Japan); Onishi, T [Materials Research Laboratory, Kobe Steel Ltd., 5-5 Takatsukadai 1-chome, Nishi-ku, Kobe, Hyogo 651-2271 (Japan); Shirai, Y [Department of Materials Science and Engineering, Graduate School of Engineering, Kyoto University, Yoshida-Honmachi, Sakyo-ku, Kyoto 606-8501 (Japan)], E-mail: atsushi.yabuuchi@mat.eng.osaka-u.ac.jp

    2009-05-01

    Recently, a new process has been proposed for fabricating a LSI interconnection; filling trenches and via holes with Cu using high-pressure annealing treatment. It is already known that a Cu film produced by physical vapor deposition (PVD) has a lower reflowability compared to a Cu film produced by electrochemical deposition (ECD). Additionally, it has also been recognized that the addition of Sb to the PVD-Cu film improves the reflowability. However, the factors responsible for the reflowability of Cu films have not yet been studied. In this work, we evaluated a PVD pure-Cu film and a PVD Cu-0.5at%Sb film by using a slow positron beam. Addition of Sb led to the introduction of lattice defects in the as-deposited film. These defects that were observed in the PVD-CuSb dilute alloy film were identified as frozen-in vacancies that were produced during deposition.

  20. A structural study of the pseudo-binary mercury chalcogenide alloy HgSe sub 0 sub . sub 7 S sub 0 sub . sub 3 at high pressure

    CERN Document Server

    Kozlenko, D P; Hull, S; Knorr, K; Savenko, B N; Shchennikov, V V; Voronin, V I

    2002-01-01

    The structure of the pseudo-binary mercury chalcogenide alloy HgSe sub 0 sub . sub 7 S sub 0 sub . sub 3 has been studied by means of X-ray and neutron powder diffraction at pressure up to 8.5 GPa. A phase transition from the cubic zinc blende structure to the hexagonal cinnabar structure was observed at P approx 1 GPa. The obtained structural parameters were used for the analysis of the geometrical relationship between the zinc blende and the cinnabar phases. The zinc blende-cinnabar phase transition is discussed in the framework of the Landau theory of phase transitions. It was found that the possible order parameter for the structural transformation is the spontaneous strain e sub 4. This assignment agrees with previously observed high pressure behaviour of the elastic constants of other mercury chalcogenides

  1. A Structural Study of the Pseudo-Binary Mercury Chalcogenide Alloy HgSe_{0.7}S_{0.3} at High Pressure

    CERN Document Server

    Kozlenko, D P; Ehm, L; Knorr, K; Hull, S; Shchennikov, V V; Voronin, V I

    2002-01-01

    The structure of the pseudo-binary mercury chalcogenide alloy HgSe_{0.7}S_{0.3} has been studied by means of X-ray and neutron powder diffraction at pressure up to 8.5 GPa. A phase transition from the cubic zinc blende structure to the hexagonal cinnabar structure was observed at P{\\sim}1 GPa. The obtained structural parameters were used for the analysis of the geometrical relationship between the zinc blende and the cinnabar phases. The zinc blende-cinnabar phase transition is discussed in the framework of Landau theory of the phase transitions. It was found that the possible order parameter for the structural transformation is the spontaneous strain e_{4}. This assignment agrees with previously observed high pressure behaviour of the elastic constants of other mercury chalcogenides.

  2. A structural study of the pseudo-binary mercury chalcogenide alloy HgSe0.7S0.3 at high pressure

    International Nuclear Information System (INIS)

    Kozlenko, D.P.; Savenko, B.N.; Ehm, L.; Knorr, K.; Hull, S.; Shchennikov, V.V.; Voronin, V.I.

    2002-01-01

    The structure of the pseudo-binary mercury chalcogenide alloy HgSe 0.7 S 0.3 has been studied by means of X-ray and neutron powder diffraction at pressure up to 8.5 GPa. A phase transition from the cubic zinc blende structure to the hexagonal cinnabar structure was observed at P∼1 GPa. The obtained structural parameters were used for the analysis of the geometrical relationship between the zinc blende and the cinnabar phases. The zinc blende-cinnabar phase transition is discussed in the framework of the Landau theory of phase transitions. It was found that the possible order parameter for the structural transformation is the spontaneous strain e 4 . This assignment agrees with previously observed high pressure behaviour of the elastic constants of other mercury chalcogenides

  3. Frozen-in vacancies in PVD-Cu films with improved high-pressure reflowability studied using a slow positron beam

    International Nuclear Information System (INIS)

    Yabuuchi, A; Kubo, D; Mizuno, M; Araki, H; Onishi, T; Shirai, Y

    2009-01-01

    Recently, a new process has been proposed for fabricating a LSI interconnection; filling trenches and via holes with Cu using high-pressure annealing treatment. It is already known that a Cu film produced by physical vapor deposition (PVD) has a lower reflowability compared to a Cu film produced by electrochemical deposition (ECD). Additionally, it has also been recognized that the addition of Sb to the PVD-Cu film improves the reflowability. However, the factors responsible for the reflowability of Cu films have not yet been studied. In this work, we evaluated a PVD pure-Cu film and a PVD Cu-0.5at%Sb film by using a slow positron beam. Addition of Sb led to the introduction of lattice defects in the as-deposited film. These defects that were observed in the PVD-CuSb dilute alloy film were identified as frozen-in vacancies that were produced during deposition.

  4. Structure, Mobility, and Composition of Transition Metal Catalyst Surfaces. High-Pressure Scanning Tunneling Microscopy and Ambient-Pressure X-ray Photoelectron Spectroscopy Studies

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, Zhongwei [Univ. of California, Berkeley, CA (United States)

    2013-12-06

    Surface structure, mobility, and composition of transition metal catalysts were studied by high-pressure scanning tunneling microscopy (HP-STM) and ambient-pressure X-ray photoelectron spectroscopy (AP-XPS) at high gas pressures. HP-STM makes it possible to determine the atomic or molecular rearrangement at catalyst surfaces, particularly at the low-coordinated active surface sites. AP-XPS monitors changes in elemental composition and chemical states of catalysts in response to variations in gas environments. Stepped Pt and Cu single crystals, the hexagonally reconstructed Pt(100) single crystal, and Pt-based bimetallic nanoparticles with controlled size, shape and composition, were employed as the model catalysts for experiments in this thesis.

  5. First-principles study on the electronic structure, phonons and optical properties of LaB_6 under high-pressure

    International Nuclear Information System (INIS)

    Chao, Luomeng; Bao, Lihong; Wei, Wei; O, Tegus; Zhang, Zhidong

    2016-01-01

    The electronic structure, phonons and optical properties of LaB_6 compound under different pressure have been studied by first-principles calculation. The electronic structure calculation shows that the d band along the M-Γ direction of the Brillouin zone moves up with increasing pressure and the band minimum is above the Fermi level at 45 GPa. The pressure-induced charge transfer from La to B atoms is reflected in the upshift of d band along the M-Γ direction with pressure. The calculated phonon dispersion curve at zero pressure is in good agreement with the experimental results. However, the phonon dispersion under high pressure does not show any information about the phase transition at 10 GPa, which was reported previously. The acoustic and optical phonon modes harden all the way with increasing pressure. In addition, the dielectric function is in accordance with the Drude model in the pressure range of 0 GPa–35 GPa and follows the Lorentz model at 45 GPa. The LaB_6 compound exhibits better visible light transmittance performance with the increasing pressure in the range of 0 GPa–35 GPa and visible light transmittance peak would be shifted towards ultraviolet region. - Highlights: • Physical properties of LaB_6 under high pressure have been theoretically studied. • Predict an electronic topological transition occurs at 45 GPa for LaB_6. • Predict a pressure-induced charge transfer from La to B atoms. • The phonon modes at Γ point show an increasing trend with increasing pressure. • The LaB_6 exhibits better heat-shielding performance with the increasing pressure.

  6. Study for a 6 GeV undulator based synchrotron radiation source

    International Nuclear Information System (INIS)

    Vignola, G.; Barton, M.; Blumberg, R.; Galayda, J.; Krinsky, S.; Luccio, A.; Pellegrini, C.; van Steenbergen, A.; Wang, J.

    1985-01-01

    A partial study for a 6 GeV undulator based synchrotron radiation source for production of high brightness undulator radiation, in the A region, is presented. The basic lattice adopted for the storage ring is a hybrid FODO Chasman-Green lattice, making use of gradient in the dipoles. We discuss also the e beam current limits and the injection parameters

  7. Hut clusters on Ge(001) surfaces studied by STM and synchrotron X-ray diffraction

    DEFF Research Database (Denmark)

    Nielsen, M.; Smilgies, D.-M.; Feidenhans'l, R.

    1996-01-01

    Nanoscale hut clusters formed on Ge(001) surfaces by depositing one monolayer of indium and annealing at temperatures between 350 and 500 degrees C were studied by scanning tunnelling microscopy and synchrotron X-ray diffraction. It was found that the hut clusters form regular arrays over...

  8. Synchrotron-based X-ray microscopic studies for bioeffects of nanomaterials.

    Science.gov (United States)

    Zhu, Ying; Cai, Xiaoqing; Li, Jiang; Zhong, Zengtao; Huang, Qing; Fan, Chunhai

    2014-04-01

    There have been increasing interests in studying biological effects of nanomaterials, which are nevertheless faced up with many challenges due to the nanoscale dimensions and unique chemical properties of nanomaterials. Synchrotron-based X-ray microscopy, an advanced imaging technology with high spatial resolution and excellent elemental specificity, provides a new platform for studying interactions between nanomaterials and living systems. In this article, we review the recent progress of X-ray microscopic studies on bioeffects of nanomaterials in several living systems including cells, model organisms, animals and plants. We aim to provide an overview of the state of the art, and the advantages of using synchrotron-based X-ray microscopy for characterizing in vitro and in vivo behaviors and biodistribution of nanomaterials. We also expect that the use of a combination of new synchrotron techniques should offer unprecedented opportunities for better understanding complex interactions at the nano-biological interface and accounting for unique bioeffects of nanomaterials. Synchrotron-based X-ray microscopy is a non-destructive imaging technique that enables high resolution spatial mapping of metals with elemental level detection methods. This review summarizes the current use and perspectives of this novel technique in studying the biology and tissue interactions of nanomaterials. Copyright © 2014 Elsevier Inc. All rights reserved.

  9. Iron overload of human colon adenocarcinoma cells studied by synchrotron-based X-ray techniques

    NARCIS (Netherlands)

    Mihucz, Victor G.; Meirer, Florian; Polgári, Zsófia; Réti, Andrea; Pepponi, Giancarlo; Ingerle, Dieter; Szoboszlai, Norbert; Streli, Christina

    2016-01-01

    Fast- and slow-proliferating human adenocarcinoma colorectal cells, HT-29 and HCA-7, respectively, overloaded with transferrin (Tf), Fe(III) citrate, Fe(III) chloride and Fe(II) sulfate were studied by synchrotron radiation total-reflection X-ray spectrometry (TXRF), TXRF-X-ray absorption near edge

  10. High-pressure sodium lamp

    NARCIS (Netherlands)

    1996-01-01

    A high pressure sodium lamp of the invention is provided with a discharge vessel (20) which is enclosed with intervening space (1) by an outer bulb (10), which space contains a gas-fill with at least 70 mol. % nitrogen gas. Electrodes (30a, 30b) are positioned in the discharge vessel (20) and are

  11. Intermolecular Interactions at high pressure

    DEFF Research Database (Denmark)

    Eikeland, Espen Zink

    2016-01-01

    In this project high-pressure single crystal X-ray diffraction has been combined with quantitative energy calculations to probe the energy landscape of three hydroquinone clathrates enclosing different guest molecules. The simplicity of the hydroquinone clathrate structures together with their st...

  12. High-pressure water facility

    Science.gov (United States)

    2006-01-01

    NASA Test Operations Group employees, from left, Todd Pearson, Tim Delcuze and Rodney Wilkinson maintain a water pump in Stennis Space Center's high-pressure water facility. The three were part of a group of employees who rode out Hurricane Katrina at the facility and helped protect NASA's rocket engine test complex.

  13. High-pressure differential scanning microcalorimeter.

    Science.gov (United States)

    Senin, A A; Dzhavadov, L N; Potekhin, S A

    2016-03-01

    A differential scanning microcalorimeter for studying thermotropic conformational transitions of biopolymers at high pressure has been designed. The calorimeter allows taking measurements of partial heat capacity of biopolymer solutions vs. temperature at pressures up to 3000 atm. The principles of operation of the device, methods of its calibration, as well as possible applications are discussed.

  14. Emulation study on system characteristic of high pressure common-rail fuel injection system for marine medium-speed diesel engine

    Science.gov (United States)

    Wang, Qinpeng; Yang, Jianguo; Xin, Dong; He, Yuhai; Yu, Yonghua

    2018-05-01

    In this paper, based on the characteristic analyzing of the mechanical fuel injection system for the marine medium-speed diesel engine, a sectional high-pressure common rail fuel injection system is designed, rated condition rail pressure of which is 160MPa. The system simulation model is built and the performance of the high pressure common rail fuel injection system is analyzed, research results provide the technical foundation for the system engineering development.

  15. Solids, liquids, and gases under high pressure

    Science.gov (United States)

    Mao, Ho-Kwang; Chen, Xiao-Jia; Ding, Yang; Li, Bing; Wang, Lin

    2018-01-01

    Pressure has long been recognized as a fundamental thermodynamic variable but its application was previously limited by the available pressure vessels and probes. The development of megabar diamond anvil cells and a battery of associated in-laboratory and synchrotron techniques at the turn of the century have opened a vast new window of opportunities. With the addition of the pressure dimension, we are facing a new world with an order of magnitude more materials to be discovered than all that have been explored at ambient pressure. Pressure drastically and categorically alters all elastic, electronic, magnetic, structural, and chemical properties, and pushes materials across conventional barriers between insulators and superconductors, amorphous and crystalline solids, ionic and covalent compounds, vigorously reactive and inert chemicals, etc. In the process, it reveals surprising high-pressure physics and chemistry and creates novel materials. This review describes the principles and methodology used to reach ultrahigh static pressure: the in situ probes, the physical phenomena to be investigated, the long-pursued goals, the surprising discoveries, and the vast potential opportunities. Exciting examples include the quest for metallic hydrogen, the record-breaking superconducting temperature of 203 K in HnS , the complication of "free-electron gas" alkali metals, the magnetic collapse in 3 d transition elements, the pressure-induced superconductivity from topological insulators, the novel stoichiometry in simple compounds, the interaction of nanoscience, the accomplishment of 750 GPa pressure, etc. These highlights are the integral results of technological achievements, specific measurements, and theoretical advancement; therefore, the same highlights will appear in different sections corresponding to these different aspects. Overall, this review demonstrates that high-pressure research is a new dimension in condensed-matter physics.

  16. High-pressure phase transitions of deep earth materials

    International Nuclear Information System (INIS)

    Hirose, Kei

    2009-01-01

    Recent developments in synchrotron XRD measurements combined with laser-heated diamond-anvil cell (LHDAC) techniques have enabled us to search for a novel phase transition at extremely high pressure and temperature. A phase transition from MgSiO 3 perovskite to post-perovskite was discovered through a drastic change in XRD patterns above 120 GPa and 2500 K, corresponding to the condition in the lowermost mantle (Murakami et al., 2004; Oganov and Ono, 2004). A pressure-induced phase transformation from ABO 3 -type perovskite to any denser structures was not known at that time. This new MgSiO 3 polymorph called post-perovskite has an orthorhombic symmetry (space group: Cmcm) with a sheet-stacking structure. The Mg site in post-perovskite is smaller than that in perovskite, which results in a volume reduction by 1.0-1.5% from perovskite structure. The electrical conductivity of post-perovskite is higher by three orders of magnitude than that of perovskite at similar pressure range (Ohta et al., 2008). This is likely due to a shorter Fe-Fe distance in post-perovskite structure, while conduction mechanism is yet to be further examined. Phase transition boundary between perovskite and post-perovskite has been determined in a wide temperature range up to 4400 K at 170 GPa (Tateno et al., 2008). Phase relations of Fe alloys have been also studied at core pressures (>135 GPa), although the generation of high temperature is more difficult at higher pressures. A new high-pressure B2 phase of B2 phase of FeS was recently discovered above 180 GPa (Sata et al., 2008). The Fe-Ni alloys have a wide pressure-temperature stability field of fcc phase at the core pressure range, depending on the Ni content (Kuwayama et al., 2008). (author)

  17. High pressure antiferrodistortive phase transition in mixed crystals of EuTiO{sub 3} and SrTiO{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Parisiades, Paraskevas, E-mail: paraskevas.parisiadis@univ-paris-diderot.fr [Laboratoire Matériaux et Phénoménes Quantiques (UMR 7162 CNRS), Université Paris Diderot-Paris 7, Paris Cedex 13 (France); ID27 Beamline, European Synchrotron Radiation Facility, 71 Avenue des Martyrs, 38000 Grenoble (France); Saltarelli, Francesco [Sapienza University of Rome, Physics Dept., Piazzale Aldo Moro 5, 00185 Roma (Italy); Liarokapis, Efthymios [Department of Physics, National Technical University of Athens, GR-15780 Athens (Greece); Köhler, Jürgen; Bussmann-Holder, Annette [Max-Planck-Institute for Solid State Research, Heisenbergstrasse 1, D-70569 Stuttgart (Germany)

    2016-06-15

    We report a detailed high pressure study on Eu{sub 1−x}Sr{sub x}TiO{sub 3} polycrystalline samples using synchrotron x-ray diffraction. We have observed a second-order antiferrodistortive phase transition for all doping levels which corresponds to the transition that has been previously explored as a function of temperature. The analysis of the compression mechanism by calculating the lattice parameters, spontaneous strains and tilt angles of the TiO{sub 6} octahedra leads to a high pressure phase diagram for Eu{sub 1−x}Sr{sub x}TiO{sub 3}.

  18. Computer simulation at high pressure

    International Nuclear Information System (INIS)

    Alder, B.J.

    1977-11-01

    The use of either the Monte Carlo or molecular dynamics method to generate equations-of-state data for various materials at high pressure is discussed. Particular emphasis is given to phase diagrams, such as the generation of various types of critical lines for mixtures, melting, structural and electronic transitions in solids, two-phase ionic fluid systems of astrophysical interest, as well as a brief aside of possible eutectic behavior in the interior of the earth. Then the application of the molecular dynamics method to predict transport coefficients and the neutron scattering function is discussed with a view as to what special features high pressure brings out. Lastly, an analysis by these computational methods of the measured intensity and frequency spectrum of depolarized light and also of the deviation of the dielectric measurements from the constancy of the Clausius--Mosotti function is given that leads to predictions of how the electronic structure of an atom distorts with pressure

  19. New Developments in Deformation Experiments at High Pressure

    International Nuclear Information System (INIS)

    Durham, W B; Weidner, D J; Karato, S; Wang, Y

    2004-01-01

    Although the importance of rheological properties in controlling the dynamics and evolution of the whole mantle of Earth is well-recognized, experimental studies of rheological properties and deformation-induced microstructures have mostly been limited to low-pressure conditions. This is mainly a result of technical limitations in conducting quantitative rheological experiments under high-pressure conditions. A combination of factors is changing this situation. Increased resolution of composition and configuration of Earth's interior has created a greater demand for well-resolved laboratory measurement of the effects of pressure on the behavior of materials. Higher-strength materials have become readily available for containing high-pressure research devices, and new analytical capabilities--in particular very bright synchrotron X-ray sources--are now readily available to high-pressure researchers. One of the biggest issues in global geodynamics is the style of mantle convection and the nature of chemical differentiation associated with convectional mass transport. Although evidence for deep mantle circulation has recently been found through seismic tomography (e.g., van der Hilst et al. (1997)), complications in convection style have also been noted. They include (1) significant modifications of flow geometry across the mantle transition zone as seen from high resolution tomographic studies (Fukao et al. 1992; Masters et al. 2000; van der Hilst et al. 1991) and (2) complicated patterns of flow in the deep lower mantle (∼1500-2500 km), perhaps caused by chemical heterogeneity (Kellogg et al. 1999; van der Hilst and Karason 1999). These studies indicate that while large-scale circulation involving the whole mantle no doubt occurs, significant deviations from simple flow geometry are also present. Two mineral properties have strong influence on convection: (1) density and (2) viscosity (rheology) contrasts. In the past, the effects of density contrast have been

  20. Cryogenic, Absolute, High Pressure Sensor

    Science.gov (United States)

    Chapman, John J. (Inventor); Shams. Qamar A. (Inventor); Powers, William T. (Inventor)

    2001-01-01

    A pressure sensor is provided for cryogenic, high pressure applications. A highly doped silicon piezoresistive pressure sensor is bonded to a silicon substrate in an absolute pressure sensing configuration. The absolute pressure sensor is bonded to an aluminum nitride substrate. Aluminum nitride has appropriate coefficient of thermal expansion for use with highly doped silicon at cryogenic temperatures. A group of sensors, either two sensors on two substrates or four sensors on a single substrate are packaged in a pressure vessel.

  1. Cryogenic High Pressure Sensor Module

    Science.gov (United States)

    Chapman, John J. (Inventor); Shams, Qamar A. (Inventor); Powers, William T. (Inventor)

    1999-01-01

    A pressure sensor is provided for cryogenic, high pressure applications. A highly doped silicon piezoresistive pressure sensor is bonded to a silicon substrate in an absolute pressure sensing configuration. The absolute pressure sensor is bonded to an aluminum nitride substrate. Aluminum nitride has appropriate coefficient of thermal expansion for use with highly doped silicon at cryogenic temperatures. A group of sensors, either two sensors on two substrates or four sensors on a single substrate are packaged in a pressure vessel.

  2. The application of infrared synchrotron radiation to the study of interfacial vibrational modes

    International Nuclear Information System (INIS)

    Hirschmugl, C.J.; Williams, G.P.

    1992-01-01

    Synchrotron radiation provides an extremely bright broad-band source in the infrared which is ideally suited to the study of surface and interface vibrational modes in the range 50--3,000 cm -1 . Thus it covers the important range of molecule-substrate interactions, as well as overlapping with the more easily accessible near-ir region where molecular internal modes are found. Compared to standard broadband infrared sources such as globars, not only is it 1,000 times brighter, but its emittance matches the phase-space of the electrochemical cell leading to full utilization of this brightness advantage. In addition, the source is more stable even than water-cooled globars in vacuum for both short-term and long-term fluctuations. The authors summarize the properties of synchrotron radiation in the infrared, in particular pointing out the distinct differences between this and the x-ray region. They use experimental data in discussing important issues of signal to noise and address the unique problems and advantages of the synchrotron source. Thus they emphasize the important considerations necessary for developing new facilities. This analysis then leads to a discussion of phase-space matching to electrochemical cells, and to other surfaces in vacuum. Finally they show several examples of the application of infrared synchrotron radiation to surface vibrational spectroscopy. The examples are for metal crystal surfaces in ultra-high vacuum and include CO/Cu(100) and (111) and CO/K/Cu(100). The experiments show how the stability of the synchrotron source allows subtle changes in the background to be observed in addition to the discrete vibrational modes. These changes are due to electronic states induced by the adsorbate. In some cases the authors have seen interferences between these and the discrete vibrational modes, leading to a breakdown of the dipole selection rules, and the observation of additional modes

  3. Prospects of using synchrotron radiation facilities with diamond-anvil cells

    International Nuclear Information System (INIS)

    Manghani, M.H.; Ming, L.C.; Jamieson, J.C.

    1980-01-01

    Diamond-anvil pressure cells have proven versatile and useful for conducting high pressure research in the submegabar range. The interfacing of diamond-anvil cell technology with synchrotron facilities seems a logical new step for carrying out in situ X-ray diffraction studies of materials under extreme conditions of combined high pressure and temperature. The conventional film method of X-ray diffraction has definite limitations which call for the energy dispersive analysis techniques. Various potential high pressure-temperature studies in geophysis and related fields involving the use of diamond-anvil cell, synchrotron facilities and energy dispersive techniques are exemplified. For geophysical studies the conditions prevailing in 86% of the Earth's volume are capable of being simulated completely in pressure, and partially in pressure and temperature, simultaneously. (orig.)

  4. A study on the shell wall thinning causes identified through experiment, numerical analysis and ultrasonic test of high-pressure feedwater heater

    International Nuclear Information System (INIS)

    Hwang, Kyeong Mo; Woo, Lee; Jin, Tae Eun; Kim, Kyung Hoon

    2008-01-01

    Feedwater heaters of many nuclear power plants have recently experienced severe wall thinning damage, which accelerates as the operation progresses. Several nuclear power plants in Korea have undergone this damage around the impingement baffle - installed downstream of the high-pressure turbine extraction steam line - inside numbers 5A and 5B feedwater heaters. At that point, the extracted steam from the high-pressure turbine consists in the form of two-phase fluid at high temperature, high pressure and high velocity. Since it flows in reverse direction after impinging the impingement baffle, the shell wall of number 5 high-pressure feedwater heater may be affected by flow-accelerated corrosion. This paper describes the comparisons between the numerical analysis results using the FLUENT code and the downscaled experimental data in an effort to determine root causes of the shell wall thinning of the high-pressure feedwater heaters. The numerical analysis and experimental data were also confirmed by the actual wall thickness measured by ultrasonic tests. From the comparison of the results for the local velocity profiles and the wall thinning measurements, the local velocity component only in the y-direction flowing vertically to the shell wall, and not in the x- and z-directions, was analogous to the wall thinning data

  5. High-pressure Raman and optical absorption studies on lead pyroniobate (Pb2Nb2O7) and pressure-induced phase transitions

    International Nuclear Information System (INIS)

    Jayaraman, A.; Kourouklis, G.A.; Cooper, A.S.; Espinosa, G.P.

    1990-01-01

    High-pressure Raman scattering and optical absorption studies have been carried out on lead pyroniobate (Pb 2 Nb 2 O 7 ) up to 33 GPa, using a gasketed diamond anvil cell. The Raman study reveals the occurrence of two, possibly three, pressure-induced phase changes; a rather subtle change is indicated near 4.5 GPa. The transition near 13 GPa is attributed to a structural transition from the rhombohedral to the cubic pyrochlore structure. The third phase change occurs near 20 GPa. From the broad Raman feature that is observed at about 800 cm -1 , it is concluded that the system turns amorphous at pressures above 20 GPa. The amorphous phase recrystallizes to the original rhombohedral phase, on release of pressure. The broad Raman peaks of the recrystallized phase indicate a high degree of disorder in the material. Lead pyroniobate turns deep red near 30 GPa, from light yellow at ambient pressure. Semi quantitative absorption measurements show that the energy gap shifts red at a rate of 30 meV/GPa. This shift is attributed to the downward motion of the 5d (es) conduction band of Pb

  6. Microbiological stabilization of tiger nuts' milk beverage using ultra-high pressure homogenization. A preliminary study on microbial shelf-life extension.

    Science.gov (United States)

    Codina-Torrella, I; Guamis, B; Zamora, A; Quevedo, J M; Trujillo, A J

    2018-02-01

    Tiger nuts' milk beverages are highly perishable products. For this reason, the interest of food industry for their commercialization makes necessary the application of preservation treatments to prolong their shelf-life. In the current study, the effect of ultra-high pressure homogenization (UHPH) on the microbiological and sensory qualities of tiger nuts' milk beverage was evaluated. Characteristics of UHPH-treated products (at 200 and 300 MPa, with inlet temperature of 40 °C) were compared with those of raw (RP) and conventionally homogenized-pasteurized (H-P) beverages, after treatment and during cold storage at 4 °C. Microbiological quality of beverages was studied by enumerating total counts, psychrotrophic bacteria, lactobacilli, enterobacteria, molds and yeasts, and mesophilic spores. Evolution of color and sensory characteristics of beverages were also determined. Microbiological shelf-life of the tiger nuts' milk beverages was extended from 3 to 25, 30 and 57 days by applying H-P and UHPH treatments at 200 and 300 MPa, respectively. Color of beverages was the only attribute that differentiated UHPH samples from the others, with greater luminosity and whiteness. Hence, UHPH treatments showed to be an alternative to the conventional H-P for obtaining tiger nuts' milk beverages with an improved microbiological shelf-life and good sensorial characteristics. Copyright © 2017 Elsevier Ltd. All rights reserved.

  7. High pressure study of low compressibility tetracalcium aluminum carbonate hydrates 3CaO·Al2O3·CaCO3·11H2O

    KAUST Repository

    Moon, Juhyuk

    2012-01-01

    Synchrotron X-ray diffraction data was collected from a sample of monocarboaluminate 3CaO•Al2O3•CaCO 3•11H2O from ambient pressure to 4.3 GPa. The refined crystal structure at ambient pressure is triclinic with parameters a = 5.77(2) Å, b = 8.47(5) Å, c = 9.93(4) Å, α = 64.6(2)°, β = 82.8(3)°, γ = 81.4(4)°, and space group of P1 or P1̄. It showed some degree of perfectly reversible pressure-induced dehydration with a non-hygroscopic pressure-transmitting medium. However the dehydration effect does not critically affect a bulk modulus due to its strong framework. The isothermal bulk modulus of monocarboaluminate was found to be 53(5) GPa and 54(4) GPa with 3rd order and 2nd order Birch-Murnaghan Equation of state, respectively. That value is higher than for any other reported AFm or AFt phase. The pressure-volume behavior of the monocarboaluminate was compared with that of previous studied hemicarboaluminate. © 2011 Elsevier Ltd. All rights reserved.

  8. Photoelectron and photodissociation studies of free atoms and molecules, using synchrotron radiation

    Energy Technology Data Exchange (ETDEWEB)

    Medhurst, L.J.

    1991-11-01

    High resolution synchrotron radiation and Zero-Kinetic-Energy Photoelectron spectroscopy were used to study two-electron transitions in atomic systems at their ionization thresholds. Using this same technique the core-ionized mainline and satellite states of N{sub 2} and CO were studied with vibrational resolution. Vibrationally resolved synchrotron radiation was used to study the dissociation of N{sub 2}, C{sub 2}H{sub 4}, and CH{sub 3}Cl near the N 1s and C 1s thresholds. The photoelectron satellites of the argon 3s, krypton 4s and xenon 4d subshells were studied with zero kinetic energy photoelectron spectroscopy at their ionization thresholds. In all of these cases, satellites with lower binding energies are enhanced at their thresholds while those closer to the double ionization threshold are suppressed relative to their intensities at high incident light energies.

  9. Photoelectron and photodissociation studies of free atoms and molecules, using synchrotron radiation

    Energy Technology Data Exchange (ETDEWEB)

    Medhurst, Laura Jane [Univ. of California, Berkeley, CA (United States)

    1991-11-01

    High resolution synchrotron radiation and Zero-Kinetic-Energy Photoelectron spectroscopy were used to study two-electron transitions in atomic systems at their ionization thresholds. Using this same technique the core-ionized mainline and satellite states of N2 and CO were studied with vibrational resolution. Vibrationally resolved synchrotron radiation was used to study the dissociation of N2, C2H4, and CH3Cl near the N 1s and C 1s thresholds. The photoelectron satellites of the argon 3s, krypton 4s and xenon 4d subshells were studied with zero kinetic energy photoelectron spectroscopy at their ionization thresholds. In all of these cases, satellites with lower binding energies are enhanced at their thresholds while those closer to the double ionization threshold are suppressed relative to their intensities at high incident light energies.

  10. Photoelectron and photodissociation studies of free atoms and molecules, using synchrotron radiation

    International Nuclear Information System (INIS)

    Medhurst, L.J.

    1991-11-01

    High resolution synchrotron radiation and Zero-Kinetic-Energy Photoelectron spectroscopy were used to study two-electron transitions in atomic systems at their ionization thresholds. Using this same technique the core-ionized mainline and satellite states of N 2 and CO were studied with vibrational resolution. Vibrationally resolved synchrotron radiation was used to study the dissociation of N 2 , C 2 H 4 , and CH 3 Cl near the N 1s and C 1s thresholds. The photoelectron satellites of the argon 3s, krypton 4s and xenon 4d subshells were studied with zero kinetic energy photoelectron spectroscopy at their ionization thresholds. In all of these cases, satellites with lower binding energies are enhanced at their thresholds while those closer to the double ionization threshold are suppressed relative to their intensities at high incident light energies

  11. Structural studies of the lipid membranes at the Siberia-2 synchrotron radiation source

    International Nuclear Information System (INIS)

    Kiselev, M. A.; Ermakova, E. V.; Ryabova, N. Yu.; Nayda, O. V.; Zabelin, A. V.; Pogorely, D. K.; Korneev, V. N.; Balagurov, A. M.

    2010-01-01

    Lipid membranes are a subject of contemporary interdisciplinary studies at the junction of biology, biophysics, pharmacology, and bionanotechnology. The results of the structural studies of several types of lipid membranes by the lamellar and lateral diffraction of X-ray synchrotron radiation are presented. The experiments were performed at the Mediana and DICSI stations of the Siberia-2 synchrotron radiation source at the Russian Research Center Kurchatov Institute. The data obtained are compared with the results of studying lipid membranes at the small-angle scattering beamlines D22 and D24 at LURE (France) and at the A2 beamline at DESY (Germany). The parameters of the DICSI station are shown to meet the basic requirements for the structural study of lipid systems, which are of fundamental and applied interest.

  12. Analysis of Porous Structure Parameters of Biomass Chars Versus Bituminous Coal and Lignite Carbonized at High Pressure and Temperature—A Chemometric Study

    Directory of Open Access Journals (Sweden)

    Adam Smoliński

    2017-09-01

    Full Text Available The characteristics of the porous structure of carbonized materials affect their physical properties, such as density or strength, their sorption capacity, and their reactivity in thermochemical processing, determining both their applicability as fuels or sorbents and their efficiency in various processes. The porous structure of chars is shaped by the combined effects of physical and chemical properties of a carbonaceous material and the operating parameters applied in the carbonization process. In the study presented, the experimental dataset covering parameters of various fuels, ranging from biomass through lignite to bituminous coal, and chars produced at 1273 K and under the pressure of 1, 2, 3, and 4 MPa was analyzed with the application of the advanced method of data exploration. The principal component analysis showed that the sample of the highest coal rank was characterized by lower values of parameters reflecting the development of the porous structure of chars. A negative correlation was also observed between the carbon content in a fuel and the evolution of the porous structure of chars at high pressure. The highest total pore volume of chars produced under 1 and 3 MPa and the highest micropore surface area under 3 MPa were reported for a carbonized fuel sample of the highest moisture content.

  13. Synchrotron X-ray adaptative monochromator: study and realization of a prototype; Monochromateur adaptatif pour rayonnement X synchrotron: etude et realisation d`un prototype

    Energy Technology Data Exchange (ETDEWEB)

    Dezoret, D.

    1995-12-12

    This work presents a study of a prototype of a synchrotron X-ray monochromator. The spectral qualities of this optic are sensitive to the heat loads which are particularly important on third synchrotron generation like ESRF. Indeed, powers generated by synchrotron beams can reach few kilowatts and power densities about a few tens watts per square millimeters. The mechanical deformations of the optical elements of the beamlines issue issue of the heat load can damage their spectral efficiencies. In order to compensate the deformations, wa have been studying the transposition of the adaptive astronomical optics technology to the x-ray field. First, we have considered the modifications of the spectral characteristics of a crystal induced by x-rays. We have established the specifications required to a technological realisation. Then, thermomechanical and technological studies have been required to transpose the astronomical technology to an x-ray technology. After these studies, we have begun the realisation of a prototype. This monochromator is composed by a crystal of silicon (111) bonded on a piezo-electric structure. The mechanical control is a loop system composed by a infrared light, a Shack-Hartmann CDD and wave front analyser. This system has to compensate the deformations of the crystal in the 5 kcV to 60 kcV energy range with a power density of 1 watt per square millimeters. (authors).

  14. Preliminary studies of the quickly pulsed synchrotron involved in the Beta-Beam project; Etudes preliminaires du synchrotron rapidement pulse du projet Beta-Beam

    Energy Technology Data Exchange (ETDEWEB)

    Lachaize, A

    2007-07-01

    This study presents a quickly-pulsed synchrotron able to accelerate He{sup 6} and Ne{sup 18} beams from 100 MeV/u till 3.5 GeV (proton equivalent) The accelerator is made up of 48 bending dipoles and 42 focusing quadrupoles. The design of the HF accelerating system, the bunch injection and the correction of errors in beam dynamics are dealt with.

  15. High pressure stability analysis and chemical bonding of Ti{sub 1-x}Zr{sub x}N alloy: A first principle study

    Energy Technology Data Exchange (ETDEWEB)

    Chauhan, Mamta; Gupta, Dinesh C., E-mail: sosfizix@gmail.com, E-mail: mamta-physics@yahoo.co.in [Condensed Matter Theory Group, School of Studies in Physics, Jiwaji University, Gwalior – 474 011 (India)

    2016-05-23

    First-principles pseudo-potential calculations have been performed to analyze the stability of Ti{sub 1-x}Zr{sub x}N alloy under high pressures. The first order phase transition from B1 to B2 phase has been observed in this alloy at high pressure. The variation of lattice parameter with the change in concentration of Zr atom in Ti{sub 1-x}Zr{sub x}N is also reported in both the phases. The calculations for density of states have been performed to understand the alloying effects on chemical bonding of Ti-Zr-N alloy.

  16. Hydrogen - High pressure production and storage

    International Nuclear Information System (INIS)

    Lauretta, J.R

    2005-01-01

    The development of simple, safe and more and more efficient technologies for the production and the storage of hydrogen is necessary condition for the transition towards the economy of hydrogen.In this work the hydrogen production studies experimentally to high pressure by electrolysis of alkaline solutions without the intervention of compressing systems and its direct storage in safe containers.The made tests show that the process of electrolysis to high pressure is feasible and has better yield than to low pressure, and that is possible to solve the operation problems, with relatively simple technology.The preliminary studies and tests indicate that the system container that studied is immune to the outbreak and can have forms and very different sizes, nevertheless, to reach or to surpass the efficiency of storage of the conventional systems the investments necessary will be due to make to be able to produce aluminum alloy tubes of high resistance

  17. Study on alumina-alumina brazing for application in vacuum chambers of proton synchrotron

    International Nuclear Information System (INIS)

    Yadav, D.P.; Kaul, R.; Ganesh, P.; Shiroman, Ram; Tiwari, Pragya; Sridhar, R.; Kukreja, L.M.

    2013-01-01

    The paper describes an experimental study to standardize vacuum brazing process to obtain satisfactory high purity alumina brazed joints for application in rapid cycle proton synchrotron machine. Two different brazing routes, adopted for making alumina-alumina brazed joints, included (i) multi-step Mo-Mn metallization and brazing with BVAg-8 alloy and (ii) advanced single-step active brazing with CuSil-ABA alloy. Brazed alumina specimens, prepared by both the routes, yielded ultra high vacuum compatible, helium leak tight and bakeable joints. Active-brazed specimens exhibited satisfactory strength values in tensile and four-point bend tests. Metallized-brazed specimens, although exhibited relatively lower tensile strength than the targeted value, displayed satisfactory flexural strength in four-point bend test. The results of the study demonstrated that active brazing is the simple and cost effective alternative to conventional metallization route for producing satisfactory brazed joints for application in rapid cycle proton synchrotron machine. (author)

  18. High pressure study of low compressibility tetracalcium aluminum carbonate hydrates 3CaO·Al2O3·CaCO3·11H2O

    KAUST Repository

    Moon, Juhyuk; Oh, Jae Eun; Balonis, Magdalena; Glasser, Fredrik P.; Clark, Simon M.; Monteiro, Paulo J.M.

    2012-01-01

    Synchrotron X-ray diffraction data was collected from a sample of monocarboaluminate 3CaO•Al2O3•CaCO 3•11H2O from ambient pressure to 4.3 GPa. The refined crystal structure at ambient pressure is triclinic with parameters a = 5.77(2) Å, b = 8

  19. Proposed dedicated high pressure beam lines at CHESS

    International Nuclear Information System (INIS)

    Ruoff, A.L.; Vohra, Y.K.; Bassett, W.A.; Batterman, B.W.; Bilderback, D.H.

    1988-01-01

    An instrumentation proposal for dedicated high pressure beam lines at CHESS is described. It is the purpose of this proposed program to provide researchers in high pressure science with beam lines for X-ray diffraction studies in the megabar regime. This will involve radiation from a bending magnet as well as from a wiggler. Examples of the high pressure results up to 2.16 Mbar are shown. Diffraction patterns from bending magnet and wiggler beams are shown and compared. The need for this facility by the high pressure community is discussed. (orig.)

  20. A new paradigm for macromolecular crystallography beamlines derived from high-pressure methodology and results

    Energy Technology Data Exchange (ETDEWEB)

    Fourme, Roger, E-mail: roger.fourme@synchrotron-soleil.fr [Synchrotron SOLEIL, BP 48, Saint Aubin, 91192 Gif-sur-Yvette (France); Girard, Eric [IBS (UMR 5075 CEA-CNRS-UJF-PSB), 41 rue Jules Horowitz, 38027 Grenoble Cedex (France); Dhaussy, Anne-Claire [CRISMAT, ENSICAEN, 6 Boulevard du Maréchal Juin, 14000 Caen (France); Medjoubi, Kadda [Synchrotron SOLEIL, BP 48, Saint Aubin, 91192 Gif-sur-Yvette (France); Prangé, Thierry [LCRB (UMR 8015 CNRS), Université Paris Descartes, Faculté de Pharmacie, 4 avenue de l’Observatoire, 75270 Paris (France); Ascone, Isabella [ENSCP (UMR CNRS 7223), 11 rue Pierre et Marie Curie, 75231 Paris Cedex 05 (France); Mezouar, Mohamed [ESRF, BP 220, 38043 Grenoble (France); Kahn, Richard [IBS (UMR 5075 CEA-CNRS-UJF-PSB), 41 rue Jules Horowitz, 38027 Grenoble Cedex (France)

    2011-01-01

    Macromolecular crystallography at high pressure (HPMX) is a mature technique. Shorter X-ray wavelengths increase data collection efficiency on cryocooled crystals. Extending applications and exploiting spin-off of HPMX will require dedicated synchrotron radiation beamlines based on a new paradigm. Biological structures can now be investigated at high resolution by high-pressure X-ray macromolecular crystallography (HPMX). The number of HPMX studies is growing, with applications to polynucleotides, monomeric and multimeric proteins, complex assemblies and even a virus capsid. Investigations of the effects of pressure perturbation have encompassed elastic compression of the native state, study of proteins from extremophiles and trapping of higher-energy conformers that are often of biological interest; measurements of the compressibility of crystals and macromolecules were also performed. HPMX results were an incentive to investigate short and ultra-short wavelengths for standard biocrystallography. On cryocooled lysozyme crystals it was found that the data collection efficiency using 33 keV photons is increased with respect to 18 keV photons. This conclusion was extended from 33 keV down to 6.5 keV by exploiting previously published data. To be fully exploited, the potential of higher-energy photons requires detectors with a good efficiency. Accordingly, a new paradigm for MX beamlines was suggested, using conventional short and ultra-short wavelengths, aiming at the collection of very high accuracy data on crystals under standard conditions or under high pressure. The main elements of such beamlines are outlined.

  1. Theory and Practice - Measuring High-Pressure Electronic and Magnetic Properties

    International Nuclear Information System (INIS)

    Hemley, R.J.; Struzhkin, V.V.; Cohen, R.E.

    2008-01-01

    Measurements of the electronic and magnetic properties of Earth and planetary materials at high pressure play a crucial role in modern geoscience. There have been numerous advances in the field, primarily as a result of developments in diamond-anvil cell methods. In particular, synchrotron radiation techniques play an especially important role. The chapter begins with a short review of fundamental properties of the relevant materials, with emphasis on how these are altered under very high pressures and temperatures of the Earth's deep interior, followed by a discussion of different classes of electronic and magnetic excitations. Various techniques currently used for high-pressure studies are then described, beginning with optical spectroscopies, Moessbauer spectroscopy, elastic X-ray and neutron scattering, many new X-ray spectroscopy and inelastic scattering methods, transport techniques, and finally resonance methods. Selected examples of the techniques are given, with a common theme being the high P-T behavior of iron-containing oxides, silicates, and metals at conditions found throughout the Earth's interior. Applications to upper-mantle phases, 'simple' oxides, silicate perovskite and post-perovskite, volatiles, and iron and iron alloys are discussed, with an emphasis given to integrated studies utilizing a combination of different techniques to understand high P-T electronic and magnetic phenomena.

  2. Synchrotron X-ray adaptative monochromator: study and realization of a prototype

    International Nuclear Information System (INIS)

    Dezoret, D.

    1995-01-01

    This work presents a study of a prototype of a synchrotron X-ray monochromator. The spectral qualities of this optic are sensitive to the heat loads which are particularly important on third synchrotron generation like ESRF. Indeed, powers generated by synchrotron beams can reach few kilowatts and power densities about a few tens watts per square millimeters. The mechanical deformations of the optical elements of the beamlines issue issue of the heat load can damage their spectral efficiencies. In order to compensate the deformations, wa have been studying the transposition of the adaptive astronomical optics technology to the x-ray field. First, we have considered the modifications of the spectral characteristics of a crystal induced by x-rays. We have established the specifications required to a technological realisation. Then, thermomechanical and technological studies have been required to transpose the astronomical technology to an x-ray technology. After these studies, we have begun the realisation of a prototype. This monochromator is composed by a crystal of silicon (111) bonded on a piezo-electric structure. The mechanical control is a loop system composed by a infrared light, a Shack-Hartmann CDD and wave front analyser. This system has to compensate the deformations of the crystal in the 5 kcV to 60 kcV energy range with a power density of 1 watt per square millimeters. (authors)

  3. Magnetic and Superconducting Materials at High Pressures

    Energy Technology Data Exchange (ETDEWEB)

    Struzhkin, Viktor V. [Carnegie Inst. of Washington, Washington, DC (United States)

    2015-03-24

    The work concentrates on few important tasks in enabling techniques for search of superconducting compressed hydrogen compounds and pure hydrogen, investigation of mechanisms of high-Tc superconductivity, and exploring new superconducting materials. Along that route we performed several challenging tasks, including discovery of new forms of polyhydrides of alkali metal Na at very high pressures. These experiments help us to establish the experimental environment that will provide important information on the high-pressure properties of hydrogen-rich compounds. Our recent progress in RIXS measurements opens a whole field of strongly correlated 3d materials. We have developed a systematic approach to measure major electronic parameters, like Hubbard energy U, and charge transfer energy Δ, as function of pressure. This technique will enable also RIXS studies of magnetic excitations in iridates and other 5d materials at the L edge, which attract a lot of interest recently. We have developed new magnetic sensing technique based on optically detected magnetic resonance from NV centers in diamond. The technique can be applied to study superconductivity in high-TC materials, to search for magnetic transitions in strongly correlated and itinerant magnetic materials under pressure. Summary of Project Activities; development of high-pressure experimentation platform for exploration of new potential superconductors, metal polyhydrides (including newly discovered alkali metal polyhydrides), and already known superconductors at the limit of static high-pressure techniques; investigation of special classes of superconducting compounds (high-Tc superconductors, new superconducting materials), that may provide new fundamental knowledge and may prove important for application as high-temperature/high-critical parameter superconductors; investigation of the pressure dependence of superconductivity and magnetic/phase transformations in 3d transition metal compounds, including

  4. Study of the initial processes of radiation effects using synchrotron radiation

    International Nuclear Information System (INIS)

    Kobayashi, Katsumi

    1990-01-01

    Necessity for the research of production mechanisms of molecular damages in biological system and usefulness of monochromatic soft X-ray in these studies are described. Synchrotron radiation are introduced as a strong light source with continuous spectrum. Practically, it is the only light source in soft X-ray and vacuum UV region. Development of irradiation apparatus for radiation biology and recent results using various biological systems are reviewed. (author)

  5. Inspection technology for high pressure pipes

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Jae H.; Lee, Jae C.; Eum, Heung S.; Choi, Yu R.; Moon, Soon S.; Jang, Jong H

    2000-02-01

    Various kinds of defects are likely to be occurred in the welds of high pressure pipes in nuclear power plants. Considering the recent accident of Zuruga nuclear power plant in Japan, reasonable policy is strongly requested for the high pressure pipe integrity. In this study, we developed the technologies to inspect pipe welds automatically. After development of scanning robot prototype in the first research year, we developed and implemented the algorithm of automatic tracking of the scanning robot along the weld line of the pipes. We use laser slit beam on weld area and capture the image using digital camera. Through processing of the captures image, we finally determine the weld line automatically. In addition, we investigated a new technology on micro systems for developing micro scanning robotic inspection of the pipe welds. The technology developed in this study is being transferred to the industry. (author)

  6. Structural study of Pr.sub.0.8./sub.Na.sub.0.2./sub.MnO.sub.3./sub. at high pressure

    Czech Academy of Sciences Publication Activity Database

    Kozlenko, D. P.; Glazkov, V. P.; Jirák, Zdeněk; Savenko, B. N.

    2003-01-01

    Roč. 267, - (2003), s. 120-126 ISSN 0304-8853 Institutional research plan: CEZ:AV0Z1010914 Keywords : manganites * high pressures * crystal and magnetic structure * neutron diffraction Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.910, year: 2003

  7. High-pressure cells for study of condensed matter by diffraction and inelastic neutron scattering at low temperatures and in strong magnetic fields

    Science.gov (United States)

    Sadykov, R. A.; Strassle, Th; Podlesnyak, A.; Keller, L.; Fak, B.; Mesot, J.

    2017-12-01

    We have developed and implemented series of new original clamp high-pressure cells for neutron diffraction and inelastic neutron scattering at low temperatures. The cells design allows one to place them in the standard cryostats or cryomagnets used on neutron sources. Some results obtained for ZnCr2Se4 are demonstrated as an example.

  8. Collapse of ferromagnetism in itinerant-electron system: a magnetic, transport properties, and high pressure study of (Hf,Ta)Fe.sub.2./sub. compounds

    Czech Academy of Sciences Publication Activity Database

    Diop, L.; Kaštil, Jiří; Isnard, O.; Arnold, Zdeněk; Kamarád, Jiří

    2014-01-01

    Roč. 116, č. 16 (2014), "163907-1"-"163907-10" ISSN 0021-8979 R&D Projects: GA ČR GAP204/12/0692 Institutional support: RVO:68378271 Keywords : high pressure * magnetic properties Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.183, year: 2014

  9. High Pressure Reduction of Selenite by Shewanella oneidensis MR-1

    Science.gov (United States)

    Picard, A.; Daniel, I.; Testemale, D.; Letard, I.; Bleuet, P.; Cardon, H.; Oger, P.

    2007-12-01

    High-pressure biotopes comprise cold deep-sea environments, hydrothermal vents, and deep subsurface or deep-sea sediments. The latter are less studied, due to the technical difficulties to sample at great depths without contamination. Nevertheless, microbial sulfate reduction and methanogenesis have been found to be spatially distributed in deep deep-sea sediments (1), and sulfate reduction has been shown to be actually more efficient under high hydrostatic pressure (HHP) in some sediments (2). Sulfate-reducing bacteria obtained from the Japan Sea are characterized by an increased sulfide production under pressure (3,4). Unfortunately, investigations of microbial metabolic activity as a function of pressure are extremely scarce due to the experimental difficulty of such measurements at high hydrostatic pressure. We were able to measure the reduction of selenite Se(IV) by Shewanella oneidensis MR-1 as a function of pressure, to 150 MPa using two different high-pressure reactors that allow in situ X-ray spectroscopy measurements on a synchrotron source. A first series of measurements was carried out in a low-pressure Diamond Anvil Cell (DAC) of our own design (5) at ID22 beamline at ESRF (European Synchrotron Radiation Facility); a second one was performed in an autoclave (6) at the BM30B beamline at ESRF. Selenite reduction by strain MR-17 was monitored from ambient pressure to 150 MPa over 25 hours at 30 deg C by XANES spectroscopy (X-ray Analysis of Near Edge Structure). Spectra were recorded hourly in order to quantify the evolution of the oxidation state of selenium with time. Stationary-phase bacteria were inoculated at a high concentration into fresh growth medium containing 5 or 10 M of sodium selenite and 20 mM sodium lactate. Kinetic parameters of the Se (IV) reduction by Shewanella oneidensis strain MR-1 could be extracted from the data, as a function of pressure. They show 1) that the rate constant k of the reaction is decreased by a half at high pressure

  10. Development and trends in synchrotron studies of ancient and historical materials

    International Nuclear Information System (INIS)

    Bertrand, Loïc; Cotte, Marine; Stampanoni, Marco; Thoury, Mathieu; Marone, Federica; Schöder, Sebastian

    2012-01-01

    Synchrotron photon-based methods are increasingly being used for the physico-chemical study of ancient and historical materials (archaeology, palaeontology, conservation sciences, palaeo-environments). In particular, parameters such as the high photon flux, the small source size and the low divergence attained at the synchrotron make it a very efficient source for a range of advanced spectroscopy and imaging techniques, adapted to the heterogeneity and great complexity of the materials under study. The continuous tunability of the source — its very extended energy distribution over wide energy domains (meV to keV) with a high intensity — is an essential parameter for techniques based on a very fine tuning of the probing energy to reach high chemical sensitivity such as XANES, EXAFS, STXM, UV/VIS spectrometry, etc. The small source size attained (a few micrometres) at least in the vertical plane leads to spatial coherence of the photon beams, giving rise in turn to a series of imaging methods already crucial to the field. This review of the existing literature shows that microfocused hard X-ray spectroscopy (absorption, fluorescence, diffraction), full-field X-ray tomography and infrared spectroscopy are the leading synchrotron techniques in the field, and presents illustrative examples of the study of ancient and historical materials for the various methods. Fast developing analytical modalities in scanning spectroscopy (STXM, macro-XRF scanning) and novel analytical strategies regarding optics, detectors and other instrumental developments are expected to provide major contributions in the years to come. Other energy domains are increasingly being used or considered such as far-infrared and ultraviolet/visible for spectroscopy and imaging. We discuss the main instrumental developments and perspectives, and their impact for the science being made on ancient materials using synchrotron techniques.

  11. Combination of lasers and synchrotron radiation in studies of atomic photoionization

    International Nuclear Information System (INIS)

    Meyer, M.

    2009-01-01

    Recent experiments using the combination of conventional lasers and synchrotron radiation are presented and discussed. The controlled laser-manipulation of atoms prior to ionization by the synchrotron radiation provides an ideal experimental basis for detailed investigations of atomic photoionization. Due to the recent advances in high-resolution electron spectroscopy, it has become possible to analyze the J-resolved fine structure of the final ionic states in the photoionization of laser-excited atoms enabling thereby the determination of the specific influence of the outer electron to the ionization from inner subshells. Especially, the analysis of photoemission satellites and their relative intensities bring out directly the importance of electron correlations. Furthermore, it is shown through some examples of experiments using linearly and circularly polarized radiations, how the study of magnetic dichroisms in the photoionization opens the access to a complete description of the photoionization process, in particular to the determination of partial photoionization cross-sections.

  12. Atomic and molecular photoelectron and Auger-electron-spectroscopy studies using synchrotron radiation

    International Nuclear Information System (INIS)

    Southworth, S.H.

    1982-01-01

    Electron spectroscopy, combined with synchrotron radiation, was used to measure the angular distributions of photoelectrons and Auger electrons from atoms and molecules as functions of photon energy. The branching ratios and partial cross sections were also measured in certain cases. By comparison with theoretical calculations, the experimental results are interpreted in terms of the characteristic electronic structure and ionization dynamics of the atomic or molecular sample. The time structure of the synchrotron radiation source was used to record time-of-flight (TOF) spectra of the ejected electrons. The double-angle-TOF method for the measurement of photoelectron angular distributions is discussed. This technique offers the advantages of increased electron collection efficiency and the elimination of certain systematic errors. An electron spectroscopy study of inner-shell photoexcitation and ionization of Xe, photoelectron angular distributions from H 2 and D 2 , and photoionization cross sections and photoelectron asymmetries of the valence orbitals of NO are reported

  13. Neutron and synchrotron radiation for condensed matter studies. Volume 1: theory, instruments and methods

    International Nuclear Information System (INIS)

    Baruchel, J.; Hodeau, J.L.; Lehmann, M.S.; Regnard, J.R.; Schlenker, C.

    1993-01-01

    This book provides the basic information required by a research scientist wishing to undertake studies using neutrons or synchrotron radiation at a Large Facility. These lecture notes result from 'HERCULES', a course that has been held in Grenoble since 1991 to train young scientists in these fields. They cover the production of neutrons and synchrotron radiation and describe all aspects of instrumentation. In addition, this work outlines the basics of the various fields of research pursued at these Large Facilities. It consists of a series of chapters written by experts in the particular fields. While following a progression and constituting a lecture course on neutron and x-ray scattering, these chapters can also be read independently. This first volume will be followed by two further volumes concerned with the applications to solid state physics and chemistry, and to biology and soft condensed matter properties

  14. observed by high pressure NMR and NQR

    Indian Academy of Sciences (India)

    Akogun, Hyogo 678-1297, Japan. ∗. Email: kohara@sci.himeji tech.ac.jp. Abstract. NMR and NQR studies on two interesting systems (URu2Si2, CeTIn5) were performed under high pressure. (1) URu2Si2: In the pressure range 3.0 to 8.3 kbar, we have observed new 29Si. NMR signals arising from the antiferromagnetic ...

  15. A computational study of syngas auto-ignition characteristics at high-pressure and low-temperature conditions with thermal inhomogeneities

    KAUST Repository

    Pal, Pinaki

    2015-07-30

    A computational study was conducted to investigate the characteristics of auto-ignition in a syngas mixture at high-pressure and low-temperature conditions in the presence of thermal inhomogeneities. Highly resolved one-dimensional numerical simulations incorporating detailed chemistry and transport were performed. The temperature inhomogeneities were represented by a global sinusoidal temperature profile and a local Gaussian temperature spike (hot spot). Reaction front speed and front Damköhler number analyses were employed to characterise the propagating ignition front. In the presence of a global temperature gradient, the ignition behaviour shifted from spontaneous propagation (strong) to deflagrative (weak), as the initial mean temperature of the reactant mixture was lowered. A predictive Zel\\'dovich–Sankaran criterion to determine the transition from strong to weak ignition was validated for different parametric sets. At sufficiently low temperatures, the strong ignition regime was recovered due to faster passive scalar dissipation of the imposed thermal fluctuations relative to the reaction timescale, which was quantified by the mixing Damköhler number. In the presence of local hot spots, only deflagrative fronts were observed. However, the fraction of the reactant mixture consumed by the propagating front was found to increase as the initial mean temperature was lowered, thereby leading to more enhanced compression-heating of the end-gas. Passive scalar mixing was not found to be important for the hot spot cases considered. The parametric study confirmed that the relative magnitude of the Sankaran number translates accurately to the quantitative strength of the deflagration front in the overall ignition advancement. © 2015 Taylor & Francis

  16. A computational study of syngas auto-ignition characteristics at high-pressure and low-temperature conditions with thermal inhomogeneities

    Science.gov (United States)

    Pal, Pinaki; Mansfield, Andrew B.; Arias, Paul G.; Wooldridge, Margaret S.; Im, Hong G.

    2015-09-01

    A computational study was conducted to investigate the characteristics of auto-ignition in a syngas mixture at high-pressure and low-temperature conditions in the presence of thermal inhomogeneities. Highly resolved one-dimensional numerical simulations incorporating detailed chemistry and transport were performed. The temperature inhomogeneities were represented by a global sinusoidal temperature profile and a local Gaussian temperature spike (hot spot). Reaction front speed and front Damköhler number analyses were employed to characterise the propagating ignition front. In the presence of a global temperature gradient, the ignition behaviour shifted from spontaneous propagation (strong) to deflagrative (weak), as the initial mean temperature of the reactant mixture was lowered. A predictive Zel'dovich-Sankaran criterion to determine the transition from strong to weak ignition was validated for different parametric sets. At sufficiently low temperatures, the strong ignition regime was recovered due to faster passive scalar dissipation of the imposed thermal fluctuations relative to the reaction timescale, which was quantified by the mixing Damköhler number. In the presence of local hot spots, only deflagrative fronts were observed. However, the fraction of the reactant mixture consumed by the propagating front was found to increase as the initial mean temperature was lowered, thereby leading to more enhanced compression-heating of the end-gas. Passive scalar mixing was not found to be important for the hot spot cases considered. The parametric study confirmed that the relative magnitude of the Sankaran number translates accurately to the quantitative strength of the deflagration front in the overall ignition advancement.

  17. The third generation French synchrotron

    International Nuclear Information System (INIS)

    Anon.

    1997-01-01

    This short paper gives a concise presentation of the SOLEIL project of the LURE synchrotron radiation national laboratory at Orsay (France). This new accelerator is devoted to replace the DCI and Super ACO rings of first and second generation, respectively. The main research domains of this project concern: the micro-fluorescence and micro-diffraction characterization of materials, and in particular the electronic components; the study of matter in extreme conditions (high temperature and high pressure); the bio-crystallography; the study of aggregates; and the manufacturing of micro-instruments for micro-electronics or medical applications. SOLEIL will be equipped with special magnetic wigglers to obtain very high brightness sources. The source will be a 336 m circumference ring for 2.5 GeV electron storage, able to produce a large spectrum synchrotron radiation. The injection system will comprise a low energy-high current linear electron accelerator and two electron beam transport lines. The installation will be buried at a 4 m depth to ensure the environmental protection and to limit vibrations. (J.S.)

  18. High pressure synthesis of amorphous TiO{sub 2} nanotubes

    Energy Technology Data Exchange (ETDEWEB)

    Li, Quanjun; Liu, Ran; Wang, Tianyi; Xu, Ke; Dong, Qing; Liu, Bo; Liu, Bingbing, E-mail: liubb@jlu.edu.cn [State Key Laboratory of Superhard Materials, Jilin University, Changchun 130012 (China); Liu, Jing [Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049 (China)

    2015-09-15

    Amorphous TiO{sub 2} nanotubes with diameters of 8-10 nm and length of several nanometers were synthesized by high pressure treatment of anatase TiO{sub 2} nanotubes. The structural phase transitions of anatase TiO{sub 2} nanotubes were investigated by using in-situ high-pressure synchrotron X-ray diffraction (XRD) method. The starting anatase structure is stable up to ∼20GPa, and transforms into a high-density amorphous (HDA) form at higher pressure. Pressure-modified high- to low-density transition was observed in the amorphous form upon decompression. The pressure-induced amorphization and polyamorphism are in good agreement with the previous results in ultrafine TiO{sub 2} nanoparticles and nanoribbons. The relationship between the LDA form and α-PbO{sub 2} phase was revealed by high-resolution transmission electron microscopy (HRTEM) study. In addition, the bulk modulus (B{sub 0} = 158 GPa) of the anatase TiO{sub 2} nanotubes is smaller than those of the corresponding bulks and nanoparticles (180-240 GPa). We suggest that the unique open-ended nanotube morphology and nanosize play important roles in the high pressure phase transition of TiO{sub 2} nanotubes.

  19. Unravelling the High-Pressure Behaviour of Dye-Zeolite L Hybrid Materials

    Directory of Open Access Journals (Sweden)

    Lara Gigli

    2018-02-01

    Full Text Available Self-assembly of chromophores nanoconfined in porous materials such as zeolite L has led to technologically relevant host-guest systems exploited in solar energy harvesting, photonics, nanodiagnostics and information technology. The response of these hybrid materials to compression, which would be crucial to enhance their application range, has never been explored to date. By a joint high-pressure in situ synchrotron X-ray powder diffraction and ab initio molecular dynamics approach, herein we unravel the high-pressure behaviour of hybrid composites of zeolite L with fluorenone dye. High-pressure experiments were performed up to 6 GPa using non-penetrating pressure transmitting media to study the effect of dye loading on the structural properties of the materials under compression. Computational modelling provided molecular-level insight on the response to compression of the confined dye assemblies, evidencing a pressure-induced strengthening of the interaction between the fluorenone carbonyl group and zeolite L potassium cations. Our results reveal an impressive stability of the fluorenone-zeolite L composites at GPa pressures. The remarkable resilience of the supramolecular organization of dye molecules hyperconfined in zeolite L channels may open the way to the realization of optical devices able to maintain their functionality under extreme conditions.

  20. Radioresistance increase in polymers at high pressures

    International Nuclear Information System (INIS)

    Milinchuk, V.; Kirjukhin, V.; Klinshpont, E.

    1977-01-01

    The effect was studied of very high pressures ranging within 100 and 2,700 MPa on the radioresistance of polytetrafluoroethylene, polypropylene and polyethylene in gamma irradiation. For experiments industrial polymers in the shape of blocks, films and fibres were used. It is shown that in easily breakable polymers, such as polytetrafluoroethylene and polypropylene 1.3 to 2 times less free radicals are formed as a result of gamma irradiation and a pressure of 150 MPa than at normal pressure. The considerably reduced radiation-chemical formation of radicals and the destruction suppression by cross-linking in polymers is the evidence of the polymer radioresistance in irradiation at high pressures. (J.B.)

  1. Foaming Glass Using High Pressure Sintering

    DEFF Research Database (Denmark)

    Østergaard, Martin Bonderup; Petersen, Rasmus Rosenlund; König, Jakob

    Foam glass is a high added value product which contributes to waste recycling and energy efficiency through heat insulation. The foaming can be initiated by a chemical or physical process. Chemical foaming with aid of a foaming agent is the dominant industrial process. Physical foaming has two...... to expand. After heat-treatment foam glass can be obtained with porosities of 80–90 %. In this study we conduct physical foaming of cathode ray tube (CRT) panel glass by sintering under high pressure (5-25 MPa) using helium, nitrogen, or argon at 640 °C (~108 Pa s). Reheating a sample in a heating...... variations. One way is by saturation of glass melts with gas. The other involves sintering of powdered glass under a high gas pressure resulting in glass pellets with high pressure bubbles entrapped. Reheating the glass pellets above the glass transition temperature under ambient pressure allows the bubbles...

  2. High-Pressure Lightweight Thrusters

    Science.gov (United States)

    Holmes, Richard; McKechnie, Timothy; Shchetkovskiy, Anatoliy; Smirnov, Alexander

    2013-01-01

    Returning samples of Martian soil and rock to Earth is of great interest to scientists. There were numerous studies to evaluate Mars Sample Return (MSR) mission architectures, technology needs, development plans, and requirements. The largest propulsion risk element of the MSR mission is the Mars Ascent Vehicle (MAV). Along with the baseline solid-propellant vehicle, liquid propellants have been considered. Similar requirements apply to other lander ascent engines and reaction control systems. The performance of current state-ofthe- art liquid propellant engines can be significantly improved by increasing both combustion temperature and pressure. Pump-fed propulsion is suggested for a single-stage bipropellant MAV. Achieving a 90-percent stage propellant fraction is thought to be possible on a 100-kg scale, including sufficient thrust for lifting off Mars. To increase the performance of storable bipropellant rocket engines, a high-pressure, lightweight combustion chamber was designed. Iridium liner electrodeposition was investigated on complex-shaped thrust chamber mandrels. Dense, uniform iridium liners were produced on chamber and cylindrical mandrels. Carbon/carbon composite (C/C) structures were braided over iridium-lined mandrels and densified by chemical vapor infiltration. Niobium deposition was evaluated for forming a metallic attachment flange on the carbon/ carbon structure. The new thrust chamber was designed to exceed state-of-the-art performance, and was manufactured with an 83-percent weight savings. High-performance C/Cs possess a unique set of properties that make them desirable materials for high-temperature structures used in rocket propulsion components, hypersonic vehicles, and aircraft brakes. In particular, more attention is focused on 3D braided C/Cs due to their mesh-work structure. Research on the properties of C/Cs has shown that the strength of composites is strongly affected by the fiber-matrix interfacial bonding, and that weakening

  3. Combined neutron and synchrotron studies of magnetic films

    Indian Academy of Sciences (India)

    probes for studying magnetism at the nanoscopic level in a variety of systems ... with an example of both techniques applied to an exchange bias system ..... nia Campus Laboratory Collaborative Program, and Laboratory Directed Research.

  4. Synchrotron x-ray diffraction study of liquid surfaces

    DEFF Research Database (Denmark)

    Als-Nielsen, Jens Aage; Pershan, P.S.

    1983-01-01

    A spectrometer for X-ray diffraction and refraction studies of horizontal, free surfaces of liquids is described. As an illustration smetic-A layering at the surface of a liquid crystal is presented.......A spectrometer for X-ray diffraction and refraction studies of horizontal, free surfaces of liquids is described. As an illustration smetic-A layering at the surface of a liquid crystal is presented....

  5. Study Of Soot Growth And Nucleation By A Time-Resolved Synchrotron Radiation Based X-Ray Absorption Method

    National Research Council Canada - National Science Library

    Mitchell, Judith I

    2001-01-01

    This report results from a contract tasking University of Rennes I as follows: The contractor will perform a study of soot growth and nucleation by a time-resolved synchrotron radiation based x-ray absorption method...

  6. Second meeting of the Scientific Societies for the feasibility study of implantation of a synchrotron radiation national laboratory

    International Nuclear Information System (INIS)

    1984-01-01

    Feasibility study for the implantation of a national laboratory of synchrotron radiation in Brazil is discussed by several Brazilian Scientific Societies. Problems related with cost, personnel training and machine uses are presented. (L.C.) [pt

  7. Phase martensitic transformation study in mechanically alloyed Ti{sub 50}Ni{sub 25}Fe{sub 25} alloy via high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Lima, Joao Cardoso de; Ferreira, Ailton da Silva, E-mail: joao.cardoso.lima@ufsc.br [Universidade Federal de Santa Catarina (UFSC), Florianopolis (Brazil); Rovani, Pablo Roberto; Pereira, Altair Soria [Universidade Federal do Rio Grande do Sul (UFRGS), Porto Alegre (Brazil)

    2016-07-01

    Full text: Alloys based on titanium and nickel with shape memory effect (SME) have been widely investigated due to potential use in different areas of science and technology, such as electronics, medicine, and space.1 Among them, the superalloys Ti-Ni-Fe show high corrosion resistance and good mechanical properties even at high temperatures that make them suitable for use in applications such as power plant components that work under aggressive conditions. At room temperature, the TiNi alloy has a monoclinic (B19'), known as the martensitic phase. With increasing temperature, the B19' phase transforms into a trigonal/hexagonal (B19) phase, known as the R- or pre martensitic phase, which, in its turn, transforms into a cubic (B2) structure, known as the austenitic phase. On cooling to room temperature, the reverse B2→B19→B19' phase transformations are observed. Since the B19↔B19' transformation occurs at a temperature low enough to inhibit diffusion-controlled processes, it belongs to a class of diffusionless phase transformations known as martensitic transformations. For this study, a Ti{sub 50}Ni{sub 25}Fe{sub 25} (B2) alloy was prepared by mechanical alloying, and the effects of high pressures up to 18 GPa will be presented. The structural changes with increasing pressure were followed by recording in situ angle-dispersive X-ray diffraction (ADXRD) diffractograms, in transmission geometry, using a long fine focus Mo X-ray tube and an imaging plate detector. The obtained results were already reported in Ref [1]. (1) A. S. Ferreira, P. R. Rovani, J. C. de Lima, A. S. Pereira, J. Appl. Phys. 117 (2015). (author)

  8. OH kinetic in high-pressure plasmas of atmospheric gases containing C2H6 studied by absolute measurement of the radical density in a pulsed homogeneous discharge

    International Nuclear Information System (INIS)

    Magne, L; Pasquiers, S; Gadonna, K; Jeanney, P; Blin-Simiand, N; Jorand, F; Postel, C

    2009-01-01

    The absolute value of the hydroxyl radical was measured in the afterglow of an homogeneous photo-triggered discharge generated in N 2 /O 2 /H 2 O/C 2 H 6 mixtures, using a UV absorption diagnostic synchronized with the discharge current pulse. Measurements show that OH is efficiently produced even in the absence of water vapour in the mixture, and that the radical production is closely linked to the degradation kinetic of the hydrocarbon. Experimental results for dry mixtures, both for OH and for the removal of ethane in the discharge volume, are compared with predictions of a self-consistent 0D discharge and the kinetic model. It appears that the oxidation reaction of the ethane molecule by O( 3 P) atoms plays a minor role. Dissociation of the hydrocarbon through quenching collisions of the nitrogen metastable states are of great importance for a low oxygen concentration value. Also, the oxidation of ethane by O( 1 D) cannot be neglected at high oxygen concentration. The most probable exit channel for N 2 states quenching collisions by ethane is the production of ethene and hydrogen molecules. Afterwards C 2 H 4 should be dissociated to produce H and H 2 . As previously suggested from the study of the OH density time evolution in relative value, the recombination of H and O atoms appears as a main process for the production of OH in transient low temperature plasmas generated in atmospheric gases at high pressure. Another important reaction is the reduction of the HO 2 radical by O, this radical coming from the addition of H on the oxygen molecule. H atoms come from numerous kinetic processes, amongst which is the dissociation of ethene.

  9. Defects, stoichiometry, and electronic transport in SrTiO{sub 3-δ} epilayers: A high pressure oxygen sputter deposition study

    Energy Technology Data Exchange (ETDEWEB)

    Ambwani, P.; Xu, P.; Jeong, J. S.; Deng, R.; Mkhoyan, K. A.; Jalan, B.; Leighton, C., E-mail: leighton@umn.edu [Department of Chemical Engineering and Materials Science, University of Minnesota, Minneapolis, Minnesota 55455 (United States); Haugstad, G. [Characterization Facility, University of Minnesota, Minneapolis, Minnesota 55455 (United States)

    2016-08-07

    SrTiO{sub 3} is not only of enduring interest due to its unique dielectric, structural, and lattice dynamical properties, but is also the archetypal perovskite oxide semiconductor and a foundational material in oxide heterostructures and electronics. This has naturally focused attention on growth, stoichiometry, and defects in SrTiO{sub 3}, one exciting recent development being such precisely stoichiometric defect-managed thin films that electron mobilities have finally exceeded bulk crystals. This has been achieved only by molecular beam epitaxy, however (and to a somewhat lesser extent pulsed laser deposition (PLD)), and numerous open questions remain. Here, we present a study of the stoichiometry, defects, and structure in SrTiO{sub 3} synthesized by a different method, high pressure oxygen sputtering, relating the results to electronic transport. We find that this form of sputter deposition is also capable of homoepitaxy of precisely stoichiometric SrTiO{sub 3}, but only provided that substrate and target preparation, temperature, pressure, and deposition rate are carefully controlled. Even under these conditions, oxygen-vacancy-doped heteroepitaxial SrTiO{sub 3} films are found to have carrier density, mobility, and conductivity significantly lower than bulk. While surface depletion plays a role, it is argued from particle-induced X-ray emission (PIXE) measurements of trace impurities in commercial sputtering targets that this is also due to deep acceptors such as Fe at 100's of parts-per-million levels. Comparisons of PIXE from SrTiO{sub 3} crystals and polycrystalline targets are shown to be of general interest, with clear implications for sputter and PLD deposition of this important material.

  10. PREFACE: 23rd International Conference on High Pressure Science and Technology (AIRAPT-23)

    Science.gov (United States)

    Gupta, Satish C.

    2012-07-01

    The 23rd AIRAPT International Conference on High Pressure Science and Technology was held at Bhabha Atomic Research Centre, Mumbai, from 25-30 September 2011. This conference is part of the series of AIRAPT International Conferences which are held biennially. AIRAPT is an acronym for the French title which translates as 'International Association for the Advancement of High Pressure Science and Technology'. This was the second time the AIRAPT Conference was organized in India. The first was held 20 years ago at the National Aeronautical Laboratory, Bangalore in 1991. The 23rd Conference covered many important topics in the area of both static and dynamic high pressures including theoretical and experimental investigations on the response of materials under high pressures, new developments using neutron and synchrotron sources, investigations on superconductivity under high pressure, studies of geophysical and planetary sciences, biosciences, and the synthesis of new materials. The conference program included Bridgman award lecture, Jemieson award lecture, seven plenary talks, 85 invited talks, 83 oral presentations and about 195 posters. In all there were 372 presentations. 285 scientists from 19 countries participated in the conference. The countries represented included Austria, Canada, China, Estonia, France, Germany, India, Israel, Italy, Japan, Nepal, New Zealand, Poland, Russia, South Korea, Spain, Sweden, Switzerland, Turkey, UK, Ukraine and USA. Many new developments were presented, for example, measurement techniques using the new generation synchrotron sources, more powerful neutron sources and much brighter laser sources; integration of gas-gun with synchrotron source; the achievement of multi-megabar pressures in shock-less dynamic compressions; and capabilities to synthesize centimeter size diamonds with better quality. All these developments have opened up new opportunities for understanding the physics of materials under high pressures. I would like

  11. Synchrotron microradiography study on acute lung injury of mouse caused by PM2.5 aerosols

    International Nuclear Information System (INIS)

    Tong Yongpeng; Zhang Guilin; Li Yan; Tan Mingguan; Wang Wei; Chen Jianmin; Hwu Yeukuang; Hsu, Pei-Chebg; Je, Jung Ho; Margaritondo, Giorgio; Song Weiming; Jiang, Rongfang; Jiang Zhihai

    2006-01-01

    In order to investigate FeSO 4 , ZnSO 4 (the two of main metal compositions of Shanghai PM 2.5 (particle matter with those aerodynamical diameter 2.5 aerosol particles, FeSO 4 , ZnSO 4 and their mixtures were instilled intratracheally into mouse lungs for experiment. By 2 days after instillation, the live mice were checked in vivo by synchrotron refractive index microradiography. In addition after extracted and examined by dissection, the right lobes of lung were fixed by formalin, then imaged by synchrotron microradiography again. Corresponding parts of those lung tissues were embedded in paraffin for histopathologic study. The synchrotron X-ray microradiographs of live mouse lung showed different lung texture changes after instilled with different toxic solutions. Hemorrhage points in lung were observed more from those mice instilled by FeSO 4 contained toxin solutions groups. Bronchial epithelial hyperplasia can be observed in ZnSO 4 contained solution-instilled groups from histopathologic analysis. It was found that the acute lung injury of mice caused by solution of PM 2.5 + FeSO 4 + ZnSO 4 was more serious than other toxin solutions. Results suggested that FeSO 4 mainly induced hemorrhage and ZnSO 4 mainly induced inflammation and bronchiolar epithelial hyperplasia in the early toxicological effects of PM 2.5

  12. Preliminary study on X-ray phase contrast imaging using synchrotron radiation facility

    International Nuclear Information System (INIS)

    Xiong Zhuang; Wang Jianhua; Yu Yongqiang; Jiang Shiping; Chen Yang; Tian Yulian

    2006-01-01

    Objective: To study the methodology of X-ray phase contrast imaging using synchrotron radiation, and evaluate the quality of phase contrast images. Methods: Several experiments to obtain phase contrast images and absorption contrast images of various biological samples were conducted in Beijing Synchrotron Radiation Facility (BSRF), and then these images were interpreted to find out the difference between the two kinds of imaging methods. Results: Satisfactory phase contrast images of these various samples were obtained, and the quality of these images was superior to that obtained with absorption contrast imaging. The phase contrast formation is based on the phenomenon of fresnel diffraction which transforms phase shifts into intensity variations upon a simple act of free-space propagation, so it requires highly coherent X-rays and appropriate distance between sample and detector. This method of imaging is very useful in imaging of low-absorption objects or objects with little absorption variation, and its resolution is far higher than that of the conventional X-ray imaging. The photographs obtained showed very fine inner microstructure of the biological samples, and the smallest microstructure to be distinguished is within 30-40 μm. There is no doubt that phase contrast imaging has a practical applicability in medicine. Moreover, it improves greatly the efficiency and the resolution of the existing X-ray diagnostic techniques. Conclusions: X-ray phase contrast imaging can be performed with synchrotron radiation source and has some advantages over the conventional absorption contrast imaging. (authors)

  13. Raman spectroscopy of triolein under high pressures

    Science.gov (United States)

    Tefelski, D. B.; Jastrzębski, C.; Wierzbicki, M.; Siegoczyński, R. M.; Rostocki, A. J.; Wieja, K.; Kościesza, R.

    2010-03-01

    This article presents results of the high pressure Raman spectroscopy of triolein. Triolein, a triacylglyceride (TAG) of oleic acid, is an unsaturated fat, present in natural oils such as olive oil. As a basic food component and an energy storage molecule, it has considerable importance for food and fuel industries. To generate pressure in the experiment, we used a high-pressure cylindrical chamber with sapphire windows, presented in (R.M. Siegoczyński, R. Kościesza, D.B. Tefelski, and A. Kos, Molecular collapse - modification of the liquid structure induced by pressure in oleic acid, High Press. Res. 29 (2009), pp. 61-66). Pressure up to 750 MPa was applied. A Raman spectrometer in "macro"-configuration was employed. Raman spectroscopy provides information on changes of vibrational modes related to structural changes of triolein under pressure. Interesting changes in the triglyceride C‒H stretching region at 2650-3100 cm-1 were observed under high-pressures. Changes were also observed in the ester carbonyl (C˭ O) stretching region 1700-1780 cm-1 and the C‒C stretching region at 1050-1150 cm-1. The overall luminescence of the sample decreased under pressure, making it possible to set longer spectrum acquisition time and obtain more details of the spectrum. The registered changes suggest that the high-pressure solid phase of triolein is organized as β-polymorphic, as was reported in (C. Akita, T. Kawaguchi, and F. Kaneko, Structural study on polymorphism of cis-unsaturated triacylglycerol: Triolein, J. Phys. Chem. B 110 (2006), pp. 4346-4353; E. Da Silva and D. Rousseau, Molecular order and thermodynamics of the solid-liquid transition in triglycerides via Raman spectroscopy, Phys. Chem. Chem. Phys. 10 (2008), pp. 4606-4613) (with temperature-induced phase transitions). The research has shown that Raman spectroscopy in TAGs under pressure reveals useful information about its structural changes.

  14. Monochromator on a synchrotron undulator source for liquid surface studies

    DEFF Research Database (Denmark)

    Als-Nielsen, Jens Aage; Freund, A.K.

    1992-01-01

    For liquid surface studies a monochromatic beam of relative bandwidth between 0.1% and 1% at a variable angle in the vertical plane between 0-degrees and 10-degrees is needed. The beam should be like a sheet some tens of mu-m thick and some mm wide, and as intense as possible. We discuss a monoch......For liquid surface studies a monochromatic beam of relative bandwidth between 0.1% and 1% at a variable angle in the vertical plane between 0-degrees and 10-degrees is needed. The beam should be like a sheet some tens of mu-m thick and some mm wide, and as intense as possible. We discuss......% of the useful x rays, in full agreement with diffraction theory including secondary extinction. Heat load experiments reported elsewhere in this conference prove that Be crystals can withstand high beam power density and that the thermal deformation is small compared to the mosaic spread. The results...... of the flux calculations are most encouraging: a gain of order 10(3) to 10(4) can be expected as compared to existing liquid surface spectrometers....

  15. High-Pressure Polymorphism in Orthoamphiboles

    Science.gov (United States)

    Finkelstein, G. J.; Zhang, D.; Shelton, H.; Dera, P.

    2017-12-01

    Amphiboles are double-chain silicate minerals that are the structurally hydrated counterpart to single-chain, anhydrous pyroxenes. They may play an important role in the earth as a carrier for volatiles in subduction zones, as well as a generator for seismic anisotropy in the upper mantle. Recent work has described previously unrecognized high-pressure polymorphism at low temperatures in a variety of pyroxene minerals, which may be relevant for the structure and dynamics of thick, cold, subducted slabs. However, high-pressure polymorphism in amphiboles above a few GPa in pressure has not been well explored, and if similar polymorphism to pyroxenes exists in this mineral family, it may affect the extent and depth of volatile transport in amphiboles, as well as their rheological properties. At low temperatures and high pressures, orthopyroxenes undergo crystal structure transitions at lower pressures than clinopyroxenes (10-30 GPa vs. > 50 GPa), so for this study we have investigated polymorphism in the anthophyllite-gedrite (Al-free and Al rich) orthoamphibole solid solution series. Using neon gas-loaded diamond anvil cells, we compressed both phases to a maximum pressure of 31 GPa, and observed transitions to new monoclinic structures in both endmembers. In this presentation, we will discuss the details of these transitions and implications for the earth's interior.

  16. A study on variations of the low cycle fatigue life of a high pressure turbine nozzle caused by inlet temperature profiles and installation conditions

    Energy Technology Data Exchange (ETDEWEB)

    Huh, Jae Sung; Kang, Young Seok; Rhee, Dong Ho [Aero-propulsion Research Office, Korea Aerospace Research Institute, Daejeon (Korea, Republic of); Seo, Do Young [School of Mechanical and Aerospace Engineering, Pusan National University, Busan (Korea, Republic of)

    2015-11-15

    High pressure components of a gas turbine engine must operate for a long life under severe conditions in order to maximize the performance and minimize the maintenance cost. Enhanced cooling design, thermal barrier coating techniques, and nickel-base superalloys have been applied for overcoming them and furthermore, material modeling, finite element analysis, statistical techniques, and etc. in design stage have been utilized widely. This article aims to evaluate the effects on the low cycle fatigue life of the high pressure turbine nozzle caused by different turbine inlet temperature profiles and installation conditions and to investigate the most favorable operating condition to the turbine nozzle. To achieve it, the structural analysis, which utilized the results of conjugate heat transfer analysis as loading boundary conditions, was performed and its results were the input for the assessment of low cycle fatigue life at several critical zones.

  17. A Study on Variations of the Low Cycle Fatigue Life of a High Pressure Turbine Nozzle Caused by Inlet Temperature Profiles and Installation Conditions

    Energy Technology Data Exchange (ETDEWEB)

    Hur, Jae Sung; Kang, Young Seok; Rhee, Dong Ho [Korea Aerospace Research Institute, Daejeon (Korea, Republic of); Seo, Do Young [Pusan National Univ., Busan (Korea, Republic of)

    2015-11-15

    High pressure components of a gas turbine engine must operate for a long life under severe conditions in order to maximize the performance and minimize the maintenance cost. Enhanced cooling design, thermal barrier coating techniques, and nickel-base superalloys have been applied for overcoming them and furthermore, material modeling, finite element analysis, statistical techniques, and etc. in design stage have been utilized widely. This article aims to evaluate the effects on the low cycle fatigue life of the high pressure turbine nozzle caused by different turbine inlet temperature profiles and installation conditions and to investigate the most favorable operating condition to the turbine nozzle. To achieve it, the structural analysis, which utilized the results of conjugate heat transfer analysis as loading boundary conditions, was performed and its results were the input for the assessment of low cycle fatigue life at several critical zones.

  18. High-pressure pyrolysis study of C sub 3 N sub 6 H sub 6 : a route to preparing bulk C sub 3 N sub 4

    CERN Document Server

    Ma, H A; Chen, L X; Zhu, P W; Guo, W L; Guo, X B; Wang, Y D; Li, S Q; Zou Guang Tian; Zhang, G; Bex, P

    2002-01-01

    In order to prepare bulk C sub 3 N sub 4 , high-pressure pyrolysis of melamine (C sub 3 N sub 6 H sub 6) at different temperatures was carried out. The products were characterized by C, N, H element analysis, Fourier transform infrared spectroscopy, x-ray photoelectron spectroscopy, and x-ray diffractometry. The results of the analysis reveal that graphitic phase C sub 3 N sub 4 has been synthesized. It provides a novel route to synthesis of the theoretical superhard cubic C sub 3 N sub 4 and other C sub 3 N sub 4 phases from organic compounds by a high-pressure and high-temperature method.

  19. Synchrotron radiation

    CERN Document Server

    Kunz, C

    1974-01-01

    The production of synchrotron radiation as a by-product of circular high-energy electron (positron) accelerators or storage rings is briefly discussed. A listing of existing or planned synchrotron radiation laboratories is included. The following properties are discussed: spectrum, collimation, polarization, and intensity; a short comparison with other sources (lasers and X-ray tubes) is also given. The remainder of the paper describes the experimental installations at the Deutsches Elektronen-Synchrotron (DESY) and DORIS storage rings, presents a few typical examples out of the fields of atomic, molecular, and solid-state spectroscopy, and finishes with an outlook on the use of synchrotron radiation in molecular biology. (21 refs).

  20. Theoretical study of the elastic and thermodynamic properties of Pt_{3}Al with the L1_{2} structure under high pressure

    Directory of Open Access Journals (Sweden)

    N. Wei

    2015-12-01

    Full Text Available In this work, the elastic and thermodynamic properties of Pt_{3}Al under high pressure are investigated using density functional theory within the generalized gradient approximation. The results of bulk modulus and elastic constants at zero pressure are in good agreement with the available theoretical and experimental values. Under high pressure, all the elastic constants meet the corresponding mechanical stability criteria, meaning that Pt_{3}Al possesses mechanical stability. In addition, the elastic constants and elastic modulus increase linearly with the applied pressure. According to the Poisson's ratio ν and elastic modulus ratio (B/G, Pt_{3}Al alloy is found to be ductile, and higher pressure can significantly enhance the ductility. Those indicate that the elastic properties of Pt_{3}Al will be improved under high pressure. Through the quasi-harmonic Debye model, we first successfully report the variations of the Debye temperature Θ_{D}, specific heats C_{P}, thermal expansion coefficient α, and Grüneisen parameter γ under pressure range from 0 to 100 GPa and temperature range from 0 to 1000 K.

  1. Study of cements silicate phases hydrated under high pressure and high temperature; Etude des phases silicatees du ciment hydrate sous haute pression et haute temperature

    Energy Technology Data Exchange (ETDEWEB)

    Meducin, F.

    2001-10-01

    This study concerns the durability of oil-well cementing. Indeed, in oil well cementing a cement slurry is pumped down the steel casing of the well up the annular space between it and the surrounding rock to support and protect the casing. The setting conditions of pressure and temperature may be very high (up to 1000 bar and 250 deg C at the bottom of the oil-well). In this research, the hydration of the main constituent of cement, synthetic tri-calcium silicate Ca{sub 3}SiO{sub 2}, often called C{sub 3}S (C = CaO; S = SiO{sub 2} and H H{sub 2}O), is studied. Calcium Silicate hydrates are prepared in high-pressure cells to complete their phase diagram (P,T) and obtain the stability conditions for each species. Indeed, the phases formed in these conditions are unknown and the study consists in the hydration of C{sub 3}S at different temperatures, pressures, and during different times to simulate the oil-well conditions. In a first step (until 120 deg C at ambient pressure) the C-S-H, a not well crystallized and non-stoichiometric phase, is synthesized: it brings adhesion and mechanical properties., Then, when pressure and temperature increase, crystallized phases appear such as jaffeite (Ca{sub 6}(Si{sub 2}O{sub 7})(OH){sub 6}) and hillebrandite (Ca{sub 2}(SiO{sub 3})(OH){sub 2}). Silicon {sup 29}Si Nuclear Magnetic Resonance (using standard sequences MAS, CPMAS) allow us to identify all the silicates hydrates formed. Indeed, {sup 29}Si NMR is a valuable tool to determine the structure of crystallized or not-well crystallized phases of cement. The characterization of the hydrated samples is completed by other techniques: X- Ray Diffraction and Scanning Electron Microscopy. The following results are found: jaffeite is the most stable phase at C/S=3. To simulate the hydration of real cement, hydration of C{sub 3}S with ground quartz and with or without super-plasticizers is done. In those cases, new phases appear: kilchoanite mainly, and xonotlite. A large amount of

  2. High-pressure phase transition of alkali metal-transition metal deuteride Li2PdD2

    Science.gov (United States)

    Yao, Yansun; Stavrou, Elissaios; Goncharov, Alexander F.; Majumdar, Arnab; Wang, Hui; Prakapenka, Vitali B.; Epshteyn, Albert; Purdy, Andrew P.

    2017-06-01

    A combined theoretical and experimental study of lithium palladium deuteride (Li2PdD2) subjected to pressures up to 50 GPa reveals one structural phase transition near 10 GPa, detected by synchrotron powder x-ray diffraction, and metadynamics simulations. The ambient-pressure tetragonal phase of Li2PdD2 transforms into a monoclinic C2/m phase that is distinct from all known structures of alkali metal-transition metal hydrides/deuterides. The structure of the high-pressure phase was characterized using ab initio computational techniques and from refinement of the powder x-ray diffraction data. In the high-pressure phase, the PdD2 complexes lose molecular integrity and are fused to extended [PdD2]∞ chains. The discovered phase transition and new structure are relevant to the possible hydrogen storage application of Li2PdD2 and alkali metal-transition metal hydrides in general.

  3. High-Pressure Catalytic Reactions of C6 Hydrocarbons on PlatinumSingle-Crystals and nanoparticles: A Sum Frequency Generation VibrationalSpectroscopic and Kinetic Study

    Energy Technology Data Exchange (ETDEWEB)

    Bratlie, Kaitlin [Univ. of California, Berkeley, CA (United States)

    2007-01-01

    Catalytic reactions of cyclohexene, benzene, n-hexane, 2-methylpentane, 3-methylpentane, and 1-hexene on platinum catalysts were monitored in situ via sum frequency generation (SFG) vibrational spectroscopy and gas chromatography (GC). SFG is a surface specific vibrational spectroscopic tool capable of monitoring submonolayer coverages under reaction conditions without gas-phase interference. SFG was used to identify the surface intermediates present during catalytic processes on Pt(111) and Pt(100) single-crystals and on cubic and cuboctahedra Pt nanoparticles in the Torr pressure regime and at high temperatures (300K-450K). At low pressures (<10-6 Torr), cyclohexene hydrogenated and dehydrogenates to form cyclohexyl (C6H11) and π-allyl C6H9, respectively, on Pt(100). Increasing pressures to 1.5 Torr form cyclohexyl, π-allyl C6H9, and 1,4-cyclohexadiene, illustrating the necessity to investigate catalytic reactions at high-pressures. Simultaneously, GC was used to acquire turnover rates that were correlated to reactive intermediates observed spectroscopically. Benzene hydrogenation on Pt(111) and Pt(100) illustrated structure sensitivity via both vibrational spectroscopy and kinetics. Both cyclohexane and cyclohexene were produced on Pt(111), while only cyclohexane was formed on Pt(100). Additionally, π-allyl c-C6H9 was found only on Pt(100), indicating that cyclohexene rapidly dehydrogenates on the (100) surface. The structure insensitive production of cyclohexane was found to exhibit a compensation effect and was analyzed using the selective energy transfer (SET) model. The SET model suggests that the Pt-H system donates energy to the E2u mode of free benzene, which leads to catalysis. Linear C6 (n-hexane, 2-methylpentane, 3-methylpentane, and 1-hexene) hydrocarbons were also investigated in the presence and absence of excess hydrogen on Pt

  4. Speciation in Aqueous MgSO4 Fluid at High Pressures and Temperatures Studied by First-Principles Modeling and Raman Spectroscopy

    Science.gov (United States)

    Jahn, S.; Schmidt, C.

    2008-12-01

    Aqueous fluids play an essential role in mass and energy transfer in the lithosphere. Their presence has also a large effect on physical properties of rocks, e.g. the electrical conductivity. Many chemical and physical properties of aqueous fluids strongly depend on the speciation, but very little is known about this fundamental parameter at high pressures and temperatures, e.g. at subduction zone conditions. Here we use a combined approach of first-principles molecular dynamics simulation and Raman spectroscopy to study the molecular structure of aqueous 2~mol/kg MgSO4 fluids up to pressures of 3~GPa and temperatures of 750~°C. MgSO4-H2O is selected as a model system for sulfate bearing subduction zone fluids. The simulations are performed using Car-Parrinello dynamics, a system size of 120 water and four MgSO4 molecules with production runs of at least 10~ps at each P and T. Raman spectra were obtained in situ using a Bassett-type hydrothermal diamond anvil cell with external heating. Both simulation and spectroscopic data show a dynamic co-existence of various associated molecular species as well as dissociated Mg2+ and SO42- in the single phase fluid. Fitting the Raman signal in the frequency range of the ν1-SO42- stretching mode yields the P-T dependence of the relative proportions of different peaks. The latter can be assigned to species based on literature data and related to the species found in the simulation. The dominant associated species found in the P-T range of interest here are Mg-SO4 ion pairs with one (monodentate) and two (bidentate) binding sites. At the highest P and T, an additional peak is identified. At low pressures and high temperature (T>230~°C), kieserite, MgSO4·H2O, nucleated in the experiment. At the same conditions the simulations show a clustering of Mg, which is interpreted as a precursor of precipitation. In conclusion, the speciation of aqueous MgSO4 fluid shows a complex behavior at high P and T that cannot be extrapolated

  5. Anomalous perovskite PbRuO3 stabilized under high pressure

    Science.gov (United States)

    Cheng, J.-G.; Kweon, K. E.; Zhou, J.-S.; Alonso, J. A.; Kong, P.-P.; Liu, Y.; Jin, Changqing; Wu, Junjie; Lin, Jung-Fu; Larregola, S. A.; Yang, Wenge; Shen, Guoyin; MacDonald, A. H.; Manthiram, Arumugam; Hwang, G. S.; Goodenough, John B.

    2013-01-01

    Perovskite oxides ABO3 are important materials used as components in electronic devices. The highly compact crystal structure consists of a framework of corner-shared BO6 octahedra enclosing the A-site cations. Because of these structural features, forming a strong bond between A and B cations is highly unlikely and has not been reported in the literature. Here we report a pressure-induced first-order transition in PbRuO3 from a common orthorhombic phase (Pbnm) to an orthorhombic phase (Pbn21) at 32 GPa by using synchrotron X-ray diffraction. This transition has been further verified with resistivity measurements and Raman spectra under high pressure. In contrast to most well-studied perovskites under high pressure, the Pbn21 phase of PbRuO3 stabilized at high pressure is a polar perovskite. More interestingly, the Pbn21 phase has the most distorted octahedra and a shortest Pb—Ru bond length relative to the average Pb—Ru bond length that has ever been reported in a perovskite structure. We have also simulated the behavior of the PbRuO3 perovskite under high pressure by first principles calculations. The calculated critical pressure for the phase transition and evolution of lattice parameters under pressure match the experimental results quantitatively. Our calculations also reveal that the hybridization between a Ru:t2g orbital and an sp hybrid on Pb increases dramatically in the Pbnm phase under pressure. This pressure-induced change destabilizes the Pbnm phase to give a phase transition to the Pbn21 phase where electrons in the overlapping orbitals form bonding and antibonding states along the shortest Ru—Pb direction at P > Pc. PMID:24277807

  6. Synchrotron radiation

    International Nuclear Information System (INIS)

    Nave, C.; Quinn, P.; Blake, R.J.

    1988-01-01

    The paper on Synchrotron Radiation contains the appendix to the Daresbury Annual Report 1987/88. The appendix is mainly devoted to the scientific progress reports on the work at the Synchrotron Radiation Source in 1987/8. The parameters of the Experimental Stations and the index to the Scientific Reports are also included in the appendix. (U.K.)

  7. Photo absorption studies of polyatomic molecules using Indus 1 synchrotron radiation source

    International Nuclear Information System (INIS)

    Saraswathy, P.; Sunanda, K.; Aparna, S.; Rajashekar, B.N.; Das, N.C.

    2004-06-01

    The Photophysics beamline is a medium resolution beamline designed for carrying out photo absorption and fluorescence experiments using the synchrotron radiation source Indus-l. This beamline has been commissioned recently and is in operation. An experimental setup for gas phase absorption studies has been developed and installed. Absorption spectra of a few polyatomicmolecules viz. benzene, ammonia, carbon disulphide and acetone were recorded in the wavelength region 1500 -3000 A. The results from this study indicated the satisfactory performance of the beam line as well as the experimental setup. Details of the first set of absorption experiments carried out are discussed in this report. (author)

  8. Study of resonant magnet exciting system for the 3 GeV proton synchrotron

    Energy Technology Data Exchange (ETDEWEB)

    Koseki, Shoichiro; Zhang, Fengqing; Watanabe, Yasuhiro; Tani, Norio [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment; Adachi, Toshikazu; Someya, Hirohiko [High Energy Accelerator Research Organization, Tsukuba, Ibaraki (Japan)

    2001-07-01

    Exciting system for magnets of the 3 GeV Proton synchrotron is under consideration. A resonant exciting system is studied, and two type of power supply are compared. One is a parallel supply that is used generally. Another is a modified series supply. Either of them uses IGBT sinusoidal converters. Capacity of the power converter of the series supply for bending magnets becomes 28.8 MVAp. This is lager more than twice compared with the parallel supply. In the other hand, the series supply has good control performance and flexibility. More study is necessary to decide finally. (author)

  9. X-ray detectors for diffraction studies and their use with synchrotron radiation

    International Nuclear Information System (INIS)

    Milch, J.

    1976-02-01

    All techniques for X-ray diffraction studies on biological materials exhibit certain limitations. The characteristics of several X-ray detection systems, namely film, multiwire proportional counter and image intensified TV, are discussed and compared for application to specific biological studies. For the high count-rate situation existing at a synchrotron, it is shown that film is a good choice, but that the image intensified TV exhibits significant advantages. The details of such a system now being used at Princeton with a low intensity source are given and current results presented

  10. High Pressure Electrolyzer System Evaluation

    Science.gov (United States)

    Prokopius, Kevin; Coloza, Anthony

    2010-01-01

    This report documents the continuing efforts to evaluate the operational state of a high pressure PEM based electrolyzer located at the NASA Glenn Research Center. This electrolyzer is a prototype system built by General Electric and refurbished by Hamilton Standard (now named Hamilton Sunstrand). It is capable of producing hydrogen and oxygen at an output pressure of 3000 psi. The electrolyzer has been in storage for a number of years. Evaluation and testing was performed to determine the state of the electrolyzer and provide an estimate of the cost for refurbishment. Pressure testing was performed using nitrogen gas through the oxygen ports to ascertain the status of the internal membranes and seals. It was determined that the integrity of the electrolyzer stack was good as there were no appreciable leaks in the membranes or seals within the stack. In addition to the integrity testing, an itemized list and part cost estimate was produced for the components of the electrolyzer system. An evaluation of the system s present state and an estimate of the cost to bring it back to operational status was also produced.

  11. Anomalous phase transition of InN nanowires under high pressure

    International Nuclear Information System (INIS)

    Tang Shun-Xi; Zhu Hong-Yang; Jiang Jun-Ru; Wu Xiao-Xin; Dong Yun-Xuan; Zhang Jian; Cui Qi-Liang; Yang Da-Peng

    2015-01-01

    Uniform InN nanowires were studied under pressures up to 35.5 GPa by using in situ synchrotron radiation x-ray diffraction technique at room temperature. An anomalous phase transition behavior has been discovered. Contrary to the results in the literature, which indicated that InN undergoes a fully reversible phase transition from the wurtzite structure to the rocksalt type structure, the InN nanowires in this study unusually showed a partially irreversible phase transition. The released sample contained the metastable rocksalt phase as well as the starting wurtzite one. The experimental findings of this study also reveal the potentiality of high pressure techniques to synthesize InN nanomaterials with the metastable rocksalt type structure, in addition to the generally obtained zincblende type one. (paper)

  12. Photoionization and dissociative photoionization study of HFC-152a using synchrotron radiation

    International Nuclear Information System (INIS)

    Huang Chaoqun; Wei Lixia; Yang Bin; Yang Rui; Wang Sisheng; Shan Xiaobin; Qi Fei; Zhang Yunwu; Sheng Liusi; Hao Liqing; Zhou Shikang; Wang Zhenya

    2006-01-01

    Photoionization and dissociative photoionization of HFC-152a have been studied using synchrotron radiation and a reflection time-of-flight mass spectrometry (RTOF-MS). The ionization energy of parent molecule (11.94 ± 0.04 eV) and appearance potentials of various fragment ions have been determined by measuring their photoionization efficiency curves. Energies, symmetry point groups and ground electronic states of neutrals and cations of parent and its fragments have been calculated using GAUSSIAN-03 program with the G3 method. According to the theoretical and experimental results, some dissociation channels and their dissociation energies of CH 3 CHF 2 + have been analyzed. (authors)

  13. Manual for COMSYN: A orbit integration code for the study of beam dynamics in compact synchrotrons

    International Nuclear Information System (INIS)

    Huang, Y.

    1991-10-01

    COMSYN is a numerical integration code which is written for the study and design of the compact synchrotrons. An improved 4th-order Runge-Kutta method is used in COMSYN to integrate the exact equations of motion in a rectangular coordinate system. The magnetic field components of the dipole B x , B y and B z can be obtained from either measurement or directly computed data (MAGNUS, TOSCA). A spline interpolation method is then used to get the field value at the particle position. For standard quadrupole and sextupole, the analytical expression is employed to compute its field distribution

  14. Melatonin mitigate cerebral vasospasm after experimental subarachnoid hemorrhage: a study of synchrotron radiation angiography

    Science.gov (United States)

    Cai, J.; He, C.; Chen, L.; Han, T.; Huang, S.; Huang, Y.; Bai, Y.; Bao, Y.; Zhang, H.; Ling, F.

    2013-06-01

    Cerebral vasospasm (CV) after subarachnoid hemorrhage (SAH) is a devastating and unsolved clinical issue. In this study, the rat models, which had been induced SAH by prechiasmatic cistern injection, were treated with melatonin. Synchrotron radiation angiography (SRA) was employed to detect and evaluate CV of animal models. Neurological scoring and histological examinations were used to assess the neurological deficits and CV as well. Using SRA techniques and histological analyses, the anterior cerebral artery diameters of SAH rats with melatonin administration were larger than those without melatonin treatment (p melatonin were less than those without melatonin treatment (p melatonin could mitigate CV after experimental SAH.

  15. Experimental Study of Coherent Synchrotron Radiation in the Emittance Exchange Line at the A0-Photoinjector

    Science.gov (United States)

    Thangaraj, Jayakar C. T.; Thurman-Keup, R.; Johnson, A.; Lumpkin, A. H.; Edwards, H.; Ruan, J.; Santucci, J.; Sun, Y. E.; Church, M.; Piot, P.

    2010-11-01

    Next generation accelerators will require a high current, low emittance beam with a low energy spread. Such accelerators will employ advanced beam conditioning systems such as emittance exchangers to manipulate high brightness beams. One of the goals of the Fermilab A0 photoinjector is to investigate the transverse to longitudinal emittance exchange principle. Coherent synchrotron radiation could limit high current operation of the emittance exchanger. In this paper, we report on the preliminary experimental and simulation study of the coherent synchroton radiation (CSR) in the emittance exchange line at the A0 photoinjector.

  16. Study of III-V semiconductor band structure by synchrotron photoemission

    International Nuclear Information System (INIS)

    Williams, G.P.; Cerrina, F.; Anderson, J.; Lapeyre, G.J.; Smith, R.J.; Hermanson, J.; Knapp, J.A.

    1982-01-01

    Angle-resolved synchrotron photoemission studies of six III-V semiconductors have been carried out. For emission normal to the (110) plane of these materials, peaks in the experimental spectra were identified with the bands involved in the transitions, and the critical point energies X 3 , X 5 , and Σ 1 /sup min/, were determined. The data indicate that k perpendicular is conserved in the transitions. Comparison of the data with theoretical bands permits an evaluation of k perpendicular associated with the experimentally observed transition, and from this information the bands were plotted out

  17. Phase stability of TiH{sub 2} under high pressure and temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Selva Vennila, R.; Durygin, A.; Saxena, S.K. [Center for Study of Matter at Extreme Conditions (CeSMEC), Florida International University, VH-150, University Park, Miami, FL 33199 (United States); Merlini, Marco [European Synchrotron Radiation Facility (ESRF), Grenoble 38043 (France); Wang, Zhongwu [Cornell High Energy Synchrotron Source (CHESS), Wilson Laboratory, Cornell University, Ithaca, NY 14853 (United States)

    2008-11-15

    Phase stability of titanium hydride (TiH{sub 2}) was studied at high pressure-high temperature conditions using synchrotron radiation under non-hydrostatic conditions. Resistive heating method was used to heat the sample to a maximum temperature of 873 K in a diamond anvil cell (DAC) under pressure up to 12 GPa. Pressure-temperature behavior was studied by varying the temperature upto 823 K in steps of 50 K with pressure variations within 3 GPa. Structural phase transformation from tetragonal (I4/mmm) to cubic (Fm-3 m) was observed with increase in temperature. Tetragonal phase was found to be stabilized when the sample was subjected to pressure and temperature cycle. (author)

  18. Study of charge-sharing in MEDIPIX3 using a micro-focused synchrotron beam

    International Nuclear Information System (INIS)

    Gimenez, E N; Horswell, I; Marchal, J; Sawhney, K J S; Tartoni, N; Ballabriga, R; Campbell, M; Llopart, X; Turecek, D

    2011-01-01

    X-ray photon-counting detectors consisting of a silicon pixel array sensor bump-bonded to a CMOS electronic readout chip offer several advantages over traditional X-ray detection technologies used for synchrotron applications. They offer high frame rate, dynamic range, count rate capability and signal-to-noise ratio. A survey of the requirements for future synchrotron detectors carried out at the Diamond Light Source synchrotron highlighted the needs for detectors with a pixel size of the order of 50μm. Reducing the pixel size leads to an increase of charge-sharing events between adjacent pixels and, therefore, to a degradation of the energy resolution and image quality of the detector. This effect was observed with MEDIPIX2, a photon-counting readout chip with a pixel size of 55μm. The latest generation of the MEDIPIX family, MEDIPIX3, is designed to overcome this charge-sharing effect in an implemented readout operating mode referred to as Charge Summing Mode. MEDIPIX3 has the same pixel size as MEDIPIX2, but it is implemented in an 8-metal 0.13μm CMOS technology which enables increased functionality per pixel. The present work focuses on the study of the charge-sharing effect when the MEDIPIX3 is operated in Charge Summing Mode compared to the conventional readout mode, referred to as Single Pixel Mode. Tests of a standard silicon photodiode array bump-bonded to MEDIPIX3 were performed in beamline B16 at the Diamond Light Source synchrotron. A monochromatic micro-focused beam of 2.9μm x 2.2μm size at 15keV was used to scan a cluster of nine pixels in order to study the charge collection and X-ray count allocation process for each readout mode, Single Pixel Mode and Charge Summing Mode. The study showed that charge-shared events were eliminated when Medipix3 was operated in Charge Summing Mode.

  19. Chemistry with synchrotron radiation

    International Nuclear Information System (INIS)

    Preses, J.; Grover, J.R.; White, M.G.; Kvick, A.

    1990-01-01

    An accidental by-product of high-energy physics, synchrotron radiation, has emerged as one of the most powerful tools for the understanding of chemical reactions. Advances made by using synchrotron radiation in physical chemistry are reviewed herein. Descriptions of experiments exploiting the many ways that synchrotron radiation can be manipulated are presented. These manipulations include intensification of the radiation and compression or shifting of its spectral structure. Combinations of the use of synchrotron radiation, which provides access to very short wavelengths and is, at the same time, continuously and easily tunable, with laser radiation, which offers much higher resolution and much more intense radiation per pulse, but is difficult to tune in the ultraviolet region of the spectra, gives the chemist a way to map a molecule's potential energy curve, to note the lengths and strengths of chemical bonds, and to predict and explain novel reactions of more complex molecules. The use of diffraction of x-rays to study the spacing of atoms in crystals is discussed. Various applications of synchrotron radiation to studies of the fluorescence of hydrocarbons and to the chiral dichroism studies of other natural products like DNA and RNA are described. Methods for enhancing synchrotron light sources by insertion devices, such as wigglers and undulators, that increase the available photo flux and construction of new sources of synchrotron radiation are mentioned

  20. Study on the effect of distance between the two nozzle holes on interaction of high pressure combustion-gas jets with liquid

    International Nuclear Information System (INIS)

    Xue, Xiaochun; Yu, Yonggang; Zhang, Qi

    2014-01-01

    Highlights: • We design a five-stage cylindrical stepped-wall chamber to study twin combustion-gas jets. • We observe mixing processes of twin combustion-gases and liquid by high speed photographic system. • We discuss the influence of multiple parameters on expansion shape of the Taylor cavities. • The three-dimensional mathematics model is established to simulate the energy release process. • We obtain distribution characteristics of parameters under different nozzle distances. - Abstract: The combustion-gas generator and cylindrical stepped-wall observation chambers with five stages are designed to study the expansion characteristic of twin combustion-gas jets in liquid working medium under high temperature and high pressure. The expansion processes of Taylor cavities formed by combustion-gas jets and the mixing characteristics of gas–liquid are studied by means of high-speed digital camera system. The effects of the distance between the two nozzle holes, injection pressure and nozzle diameter on jet expansion processes are discussed. The experimental results indicate that, the velocity differences exist on the gas–liquid interface during expansion processes of twin combustion-gas jets, and the effect of Taylor–Helmholtz instability is intense, so interfaces between gas and liquid show turbulent folds and randomness. The strong turbulent mixing of gas and liquid leads to release of combustion-gas energy with the temperature decreasing. Moreover, the mixing effectiveness is obviously enhanced on the corners of each step of the cylindrical stepped-wall structure, forming radial expansion phenomenon. The reasonable matching of multi-parameter can restrain the jet instability and make the combustion-gas energy orderly release. Based on the experiments, the three-dimensional unsteady mathematical model of interaction of twin combustion-gas jets and liquid working medium is established to obtain the density, pressure, velocity and temperature

  1. Possibilities and limitations of parametric Rietveld refinement on high pressure data. The case study of LaFeO{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Etter, Martin; Mueller, Melanie; Dinnebier, Robert E. [Max-Planck-Institut fuer Festkoerperforschung, Stuttgart (Germany); Hanfland, Michael [European Synchrotron Radiation Facility (ESRF), Grenoble (France)

    2014-04-01

    Parametric Rietveld refinement is a powerful technique to apply directly physical or empirical equations to the refinement of in situ powder diffraction data. In order to investigate the possibilities and limitations of parametric Rietveld refinements for high pressure data four competitive crystallographic approaches were used to carry out a full structural investigation of the orthoferrite LaFeO{sub 3} (Pbnm at ambient conditions) under high pressure up to 47 GPa. Approach A with traditional Rietveld refinement using atomic coordinates, Approach B where the Rietveld refinement was done by using the rigid body method, Approach C where symmetry modes were used and Approach D where the newly developed method of the rotational symmetry mode description for a rigid body was used. For all approaches sequential as well as parametric refinements were carried out, confirming a second order phase transition of LaFeO{sub 3} to a higher symmetric phase (space group Ibmm) at around 21.1?GPa and an isostructural first order phase transition at around 38 GPa. Limitations due to non-hydrostatic conditions as well as the possibilities of a direct modeling of phase transitions with parametric Rietveld refinement are discussed in detail. (orig.)

  2. Nuclear waste viewed in a new light; a synchrotron study of uranium encapsulated in grout

    Energy Technology Data Exchange (ETDEWEB)

    Stitt, C.A., E-mail: Camilla.stitt@bristol.ac.uk [Interface Analysis Centre, H. H. Wills Physics Laboratory, University of Bristol, Tyndall Avenue, Bristol BS8 1TL (United Kingdom); Hart, M., E-mail: oxford.mike@gmail.com [Diamond Light Source Limited, Harwell Science and Innovation Campus, Fermi Avenue, Didcot, Oxfordshire OX11 0QX (United Kingdom); Harker, N.J., E-mail: nicholas.harker@esrf.fr [Interface Analysis Centre, H. H. Wills Physics Laboratory, University of Bristol, Tyndall Avenue, Bristol BS8 1TL (United Kingdom); Hallam, K.R., E-mail: k.r.hallam@bristol.ac.uk [Interface Analysis Centre, H. H. Wills Physics Laboratory, University of Bristol, Tyndall Avenue, Bristol BS8 1TL (United Kingdom); MacFarlane, J., E-mail: james.macfarlane@bristol.ac.uk [Interface Analysis Centre, H. H. Wills Physics Laboratory, University of Bristol, Tyndall Avenue, Bristol BS8 1TL (United Kingdom); Banos, A., E-mail: antonis.banos@bristol.ac.uk [Interface Analysis Centre, H. H. Wills Physics Laboratory, University of Bristol, Tyndall Avenue, Bristol BS8 1TL (United Kingdom); Paraskevoulakos, C., E-mail: cp13846@bristol.ac.uk [Interface Analysis Centre, H. H. Wills Physics Laboratory, University of Bristol, Tyndall Avenue, Bristol BS8 1TL (United Kingdom); Butcher, E., E-mail: ed.j.butcher@nnl.co.uk [National Nuclear Laboratory, Seascale, Cumbria CA20 1 PG (United Kingdom); Padovani, C., E-mail: cristiano.padovani@nda.gov.uk [Radioactive Waste Management Limited (formerly the Radioactive Waste Management Directorate of the UK Nuclear Decommissioning Authority), Curie Avenue, Didcot, Oxfordshire OX11 0RH (United Kingdom); Scott, T.B., E-mail: t.b.scott@bristol.ac.uk [Interface Analysis Centre, H. H. Wills Physics Laboratory, University of Bristol, Tyndall Avenue, Bristol BS8 1TL (United Kingdom)

    2015-03-21

    Highlights: • Unirradiated Magnox uranium was encapsulated in grout and exposed to hydrogen. • Synchrotron X-ray tomography imaged the uranium corrosion before and after exposure. • Synchrotron X-ray powder diffraction identified the corrosion products; UH{sub 3} and UO{sub 2}. • Uranium encapsulated in grout oxidised via the anoxic U + H{sub 2}O regime. • Successful in-situ, non-invasive examination of pyrophoric and radioactive material - Abstract: How do you characterise the contents of a sealed nuclear waste package without breaking it open? This question is important when the contained corrosion products are potentially reactive with air and radioactive. Synchrotron X-rays have been used to perform micro-scale in-situ observation and characterisation of uranium encapsulated in grout; a simulation for a typical intermediate level waste storage packet. X-ray tomography and X-ray powder diffraction generated both qualitative and quantitative data from a grout-encapsulated uranium sample before, and after, deliberately constrained H{sub 2} corrosion. Tomographic reconstructions provided a means of assessing the extent, rates and character of the corrosion reactions by comparing the relative densities between the materials and the volume of reaction products. The oxidation of uranium in grout was found to follow the anoxic U + H{sub 2}O oxidation regime, and the pore network within the grout was observed to influence the growth of uranium hydride sites across the metal surface. Powder diffraction analysis identified the corrosion products as UO{sub 2} and UH{sub 3}, and permitted measurement of corrosion-induced strain. Together, X-ray tomography and diffraction provide means of accurately determining the types and extent of uranium corrosion occurring, thereby offering a future tool for isolating and studying the reactions occurring in real full-scale waste package systems.

  3. In-situ synchrotron PXRD study of spinel LiMn2O4 nanocrystal formation

    DEFF Research Database (Denmark)

    Birgisson, Steinar; Jensen, Kirsten Marie Ørnsbjerg; Christiansen, Troels Lindahl

    Many solvothermal reactions have a great potential for environmentally friendly and easily scalable way for producing nanocrystalline materials on an industrial scale. Here we study hydrothermal formation of spinel LiMn2O4 which is a well-known cathode material for Li-ion batteries. The LiMn2O4...... nanoparticles are formed by reducing KMnO4 in an aqueous solution containing Li-ions. The reducing agent is an alcohol (here ethanol) and the reaction takes place under high pressure and temperature. The LiMn2O4 nanocrystals are unstable towards further reduction to Mn3O4 nanocrystals. Possible reaction route...

  4. Synchrotron light

    International Nuclear Information System (INIS)

    2001-01-01

    'Synchrotron Light' is an interactive and detailed introduction to the physics and technology of the generation of coherent radiation from accelerators as well as to its widespread high-tech applications in science, medicine and engineering. The topics covered are the interaction of light and matter, the technology of synchrotron light sources, spectroscopy, imaging, scattering and diffraction of X-rays, and applications to materials science, biology, biochemistry, medicine, chemistry, food and pharmaceutical technology. All synchrotron light facilities are introduced with their home-page addresses. 'Synchrotron Light' provides an instructive and comprehensive multimedia learning tool for students, experienced practitioners and novices wishing to apply synchrotron radiation in their future work. Its multiple-entry points permit an easy exploration of the CD-Rom according to the users knowledge and interest. 2-D and 3-D animations and virtual reconstruction with computer-generated images guide visitors into the scientific and technical world of a synchrotron and into the applications of synchrotron radiation. This bilingual (English and French) CD-Rom can be used for self-teaching and in courses at various levels in physics, chemistry, engineering, and biology. (author)

  5. A study on radiation shielding and safety analysis for a synchrotron radiation beamline

    International Nuclear Information System (INIS)

    Asano, Yoshihiro

    2001-03-01

    Methods of shielding design and safety analysis are presented for a beam-line of synchrotron radiation. This paper consists of the shielding and safety study of synchrotron radiation with extremely intense and low energy photon below several hundreds keV, and the study for the behavior of remarkable high-energy photons up to 8 GeV, which can creep into beam-lines. A new shielding design code, STAC8 was developed to estimate the leakage dose outside the beam line hutch (an enclosure of the beam, optical elements or experimental instruments) easily and quickly with satisfactory accuracy. The code can calculate consistently from sources of synchrotron radiation to dose equivalent outside hutches with considering the build up effect and polarization effect. Validity of the code was verified by comparing its calculations with those of Monte Carlo simulations and measurement results of the doses inside the hutch of the BL14C of Photon Factory in the High Energy Accelerator Research Organization (KEK), showing good agreements. The shielding design calculations using STAC8 were carried out to apply to the practical beam-lines with the considering polarization effect and clarified the characteristics of the typical beam-line of the third generation synchrotron radiation facility, SPring-8. In addition, the shielding calculations were compared with the measurement outside the shield wall of the bending magnet beam-line of SPring-8, and showed fairly good agreement. The new shielding problems, which have usually been neglected in shielding designs for existing synchrotron radiation facilities, are clarified through the analysis of the beam-line shielding of SPring-8. The synchrotron radiation from the SPring-8 has such extremely high-intensity involving high energy photons that the scattered synchrotron radiation from the concrete floor of the hutch, the ground shine, causes a seriously high dose. The method of effective shielding is presented. For the estimation of the gas

  6. A study on radiation shielding and safety analysis for a synchrotron radiation beamline

    Energy Technology Data Exchange (ETDEWEB)

    Asano, Yoshihiro [Japan Atomic Energy Research Inst., Kansai Research Establishment, Synchrotron Radiation Research Center, Mikazuhi, Hyogo (Japan)

    2001-03-01

    Methods of shielding design and safety analysis are presented for a beam-line of synchrotron radiation. This paper consists of the shielding and safety study of synchrotron radiation with extremely intense and low energy photon below several hundreds keV, and the study for the behavior of remarkable high-energy photons up to 8 GeV, which can creep into beam-lines. A new shielding design code, STAC8 was developed to estimate the leakage dose outside the beam line hutch (an enclosure of the beam, optical elements or experimental instruments) easily and quickly with satisfactory accuracy. The code can calculate consistently from sources of synchrotron radiation to dose equivalent outside hutches with considering the build up effect and polarization effect. Validity of the code was verified by comparing its calculations with those of Monte Carlo simulations and measurement results of the doses inside the hutch of the BL14C of Photon Factory in the High Energy Accelerator Research Organization (KEK), showing good agreements. The shielding design calculations using STAC8 were carried out to apply to the practical beam-lines with the considering polarization effect and clarified the characteristics of the typical beam-line of the third generation synchrotron radiation facility, SPring-8. In addition, the shielding calculations were compared with the measurement outside the shield wall of the bending magnet beam-line of SPring-8, and showed fairly good agreement. The new shielding problems, which have usually been neglected in shielding designs for existing synchrotron radiation facilities, are clarified through the analysis of the beam-line shielding of SPring-8. The synchrotron radiation from the SPring-8 has such extremely high-intensity involving high energy photons that the scattered synchrotron radiation from the concrete floor of the hutch, the ground shine, causes a seriously high dose. The method of effective shielding is presented. For the estimation of the gas

  7. Photoemission studies of clean and adsorbate covered metal surfaces using synchrotron and uv radiation sources

    International Nuclear Information System (INIS)

    Apai, G.R. II.

    1977-09-01

    Photoemission energy distribution experiments on clean metal and adsorbate-covered surfaces were performed under ultrahigh vacuum conditions by using x-ray and ultraviolet photon sources in the laboratory as well as continuously-tunable, highly polarized synchrotron radiation obtainable at the Stanford Synchrotron Radiation Laboratory (SSRL). Studies focused on two general areas: cross-section modulation in the photoemission process was studied as a function of photon energy and orbital composition. Sharp decreases in intensity of the valence bands of several transition metals (i.e., Ag, Au, and Pt) are attributed to the radial nodes in the respective wave functions. Adsorbate photoemission studies of CO adsorbed on platinum single crystals have demonstrated a very high spectral sensitivity to the 4sigma and (1π + 5sigma) peaks of CO at photon energies of 150 eV. Angle-resolved photoemission allowed determination of the orientation of CO chemisorbed on a Pt (111) or Ni(111) surface. Prelinimary results at high photon energies (approximately 150 eV) indicated scattering from the substrate which could yield chemisorption site geometries

  8. Energy dispersive X-ray diffraction at high pressure in CHESS

    International Nuclear Information System (INIS)

    Ruoff, A.L.; Baublitz, M.A. Jr.

    1981-01-01

    Energy dispersive X-ray techniques were used with a diamond anvil cell in the Cornell High Energy Synchrotron Source (CHESS). It was shown that quantitative relative intensity measurement could be made when the pressure was hydrostatic and the crystals were relatively defect free. The crystal structures of the high pressure polymorphs of Ge, GaAs, GaP, and AlSb were studied. Ge exhibits the β-tetragonal structure as found by Jamieson; however, the transition pressure is 80 +- 5 kbars. GaAs exhibits an orthorhombic structure above 172 +- 7 kbars, GaP the β-Sn structure above 215 +- 8 kbars, and AlSb an orthorhombic structure above 77 +- 5 kbars. (Auth.)

  9. Bainitic steels behavior at different temperatures: study of cementite using neutron and synchrotron radiations

    International Nuclear Information System (INIS)

    Ouahab, Razane

    2012-01-01

    The multi-scale experimental characterization of bainitic steels has been the subject of this research. Two two-phase steels ferrite-cementite were chosen: a 16MND5 steel used to design RPW reactors (Reactor Pressurized Water) and a 2C40 steel. In order to study the mechanical behavior of each phase individually, different thermomechanical characterization tools have been considered. The originality of this work comes from the use of two techniques: in situ tensile tests combined to synchrotron radiation and nano indentation. A major interest is given to the behavior of cementite. The stresses reached in this phase were determined by two methods. First, analyzes have been performed in ferritic phase by XRD and a mixture law has been used to estimate the stress values in cementite. Then, analyzes have been carried out directly in each phase using synchrotron radiation. The results show that the mixture law is a good tool to describe the stress distribution in each phase of the studied steels. However, it may be not enough because it doesn't take into account the morphology of the carbide and highly depends on the volume fraction of the cementite: an uncertainty of ± 0.2 % can lead to stress variation of ± 1000 MPa. The local properties of cementite were also analyzed by nano indentation. The primary results have confirmed that the carbide hardness is 2-3 times greater than the hardness of the matrix [fr

  10. A Study on the Effects on Low Cycle Fatigue Life of a High Pressure Turbine Nozzle due to the Perturbation of Crystal Orientation of Grain of DS Materials

    Energy Technology Data Exchange (ETDEWEB)

    Huh, Jae Sung; Kang, Young Seok; Rhee, Dong Ho [Korea Aerospace Research Institute, Daejeon (Korea, Republic of)

    2016-07-15

    High pressure components of a gas turbine engine are generally made of nickel-base superalloys, using precision casting process due to complicated geometries with intricate channels and cooling holes. Turbine components manufactured from directionally solidified and single crystal materials have columnar grains; however, it is found that the crystals do not grow in its preferred direction, although the orientation can be controlled. This anisotropy can lead to the variations of elastic and Hill's parameters in constitutive equations, and they alter stress distributions and the low cycle fatigue life. We aims to evaluate the effects of perturbed crystal orientations on the structural integrity of a directionally solidified nozzle using low cycle fatigue life. We also attempt to show the necessity for the control of allowed manufacturing errors and stochastic analysis. Our approaches included conjugate heat transfer and structural analysis, along with low cycle fatigue life assessment.

  11. Anomalous thermal expansion, negative linear compressibility, and high-pressure phase transition in ZnAu2(CN) 4 : Neutron inelastic scattering and lattice dynamics studies

    Science.gov (United States)

    Gupta, Mayanak K.; Singh, Baltej; Mittal, Ranjan; Zbiri, Mohamed; Cairns, Andrew B.; Goodwin, Andrew L.; Schober, Helmut; Chaplot, Samrath L.

    2017-12-01

    We present temperature-dependent inelastic-neutron-scattering measurements, accompanied by ab initio calculations of the phonon spectra and elastic properties as a function of pressure to quantitatively explain an unusual combination of negative thermal expansion and negative linear compressibility behavior of ZnAu2(CN) 4 . The mechanism of the negative thermal expansion is identified in terms of specific anharmonic phonon modes that involve bending of the -Zn-NC-Au-CN-Zn- linkage. The soft phonon at the L point at the Brillouin zone boundary quantitatively relates to the high-pressure phase transition at about 2 GPa. The ambient pressure structure is also found to be close to an elastic instability that leads to a weakly first-order transition.

  12. High Pressure and Temperature Effects in Polymers

    Science.gov (United States)

    Bucknall, David; Arrighi, Valeria; Johnston, Kim; Condie, Iain

    Elastomers are widely exploited as the basis for seals in gas and fluid pipelines. The underlying behaviour of these elastomer at the high pressure, elevated temperatures they experience in operation is poorly understood. Consequently, the duty cycle of these materials is often deliberately limited to a few hours, and in order to prevent failure, production is stopped in order to change the seals in critical joints. The result is significant time lost due to bringing down production to change the seals as well as knock on financial costs. In order to address the fundamental nature of the elastomers at their intended operating conditions, we are studying the gas permeation behaviour of hydrogenated natural butyl rubber (HNBR) and fluorinated elastomers (FKM) at a high pressure and elevated temperature. We have developed a pressure system that permits gas permeation studies at gas pressures of up to 5000 psi and operating temperatures up to 150° C. In this paper, we will discuss the nature of the permeation behaviour at these extreme operating conditions, and how this relates to the changes in the polymer structure. We will also discuss the use of graphene-polymer thin layer coatings to modify the gas permeation behaviour of the elastomers.

  13. Synchrotron radiation

    International Nuclear Information System (INIS)

    Helliwell, J.R.; Walker, R.P.

    1985-01-01

    A detailed account of the research work associated with the Synchrotron Radiation Source at Daresbury Laboratory, United Kingdom, in 1984/85, is presented in the Appendix to the Laboratory's Annual Report. (U.K.)

  14. Synchrotron radiation

    International Nuclear Information System (INIS)

    Hallmeier, K.H.; Meisel, A.; Ranft, J.

    1982-01-01

    The physical background and the properties of synchrotron radiation are described. The radiation offers many useful applications in the fields of spectroscopy and structural investigations. Some examples are given

  15. Bacterial spore inactivation at 45-65 °C using high pressure processing: study of Alicyclobacillus acidoterrestris in orange juice.

    Science.gov (United States)

    Silva, Filipa V M; Tan, Eng Keat; Farid, Mohammed

    2012-10-01

    High pressure processing (HPP) is a new non-thermal technology commercially used to pasteurize fruit juices and extend shelf-life, while preserving delicate aromas/flavours and bioactive constituents. Given the spoilage incidents and economic losses due to Alicyclobacillus acidoterrestris in the fruit juice industry, the use of high pressure (200 MPa - 600 MPa) in combination with mild temperature (45 °C-65 °C) for 1-15 min, to inactivate these spores in orange juice were investigated. As expected, the higher the temperature, pressure and time, the larger was the A. acidoterrestris inactivation. The survival curves were described by the first order Bigelow model. For 200 MPa, D(45 °C) = 43.9 min, D(55 °C) = 28.8 min, D(65 °C) = 5.0 min and z-value = 21.3 °C. At 600 MPa, D(45 °C) = 12.9 min, D(55 °C) = 7.0 min, D(65 °C) = 3.4 min and z-value = 34.4 °C. Spores were inactivated at 45 °C and 600 MPa, and at 65 °C only 200 MPa was needed to achieve reduction in spore numbers. Results demonstrated that HPP allowed A. acidoterrestris spore inactivation at lower temperatures (45-65 °C) than conventional thermal processing (85-95 °C) without pressure, yielding a fresher and higher quality preserved food. Copyright © 2012 Elsevier Ltd. All rights reserved.

  16. Combined pressure and cosolvent effects on enzyme activity - a high-pressure stopped-flow kinetic study on α-chymotrypsin.

    Science.gov (United States)

    Luong, Trung Quan; Winter, Roland

    2015-09-21

    We investigated the combined effects of cosolvents and pressure on the hydrolysis of a model peptide catalysed by α-chymotrypsin. The enzymatic activity was measured in the pressure range from 0.1 to 200 MPa using a high-pressure stopped-flow systems with 10 ms time resolution. A kosmotropic (trimethalymine-N-oxide, TMAO) and chaotropic (urea) cosolvent and mixtures thereof were used as cosolvents. High pressure enhances the hydrolysis rate as a consequence of a negative activation volume, ΔV(#), which, depending on the cosolvent system, amounts to -2 to -4 mL mol(-1). A more negative activation volume can be explained by a smaller compression of the ES complex relative to the transition state. Kinetic constants, such as kcat and the Michaelis constant KM, were determined for all solution conditions as a function of pressure. With increasing pressure, kcat increases by about 35% and its pressure dependence by a factor of 1.9 upon addition of 2 M urea, whereas 1 M TMAO has no significant effect on kcat and its pressure dependence. Similarly, KM increases upon addition of urea 6-fold. Addition of TMAO compensates the urea-effect on kcat and KM to some extent. The maximum rate of the enzymatic reaction increases with increasing pressure in all solutions except in the TMAO : urea 1 : 2 mixture, where, remarkably, pressure is found to have no effect on the rate of the enzymatic reaction anymore. Our data clearly show that compatible solutes can easily override deleterious effects of harsh environmental conditions, such as high hydrostatic pressures in the 100 MPa range, which is the maximum pressure encountered in the deep biosphere on Earth.

  17. Synchrotron radiation

    International Nuclear Information System (INIS)

    Poole, M.W.; Lea, K.R.

    1982-01-01

    A report is given on the work involving the Synchrotron Radiation Division of the Daresbury Laboratory during the period January 1981 - March 1982. Development of the source, beamlines and experimental stations is described. Progress reports from individual investigators are presented which reveal the general diversity and interdisciplinary nature of the research which benefits from access to synchrotron radiation and the associated facilities. Information is given on the organisation of the Division and publications written by the staff are listed. (U.K.)

  18. Synchrotron radiation

    International Nuclear Information System (INIS)

    Norman, D.; Walker, R.P.; Durham, P.J.; Ridley, P.A.

    1986-01-01

    The paper on synchrotron radiation is the appendix to the Daresbury (United Kingdom) annual report, 1985/86. The bulk of the volume is made up of the progress reports for the work carried out during the year under review using the Synchrotron Radiation Source (SRS) at Daresbury. The Appendix also contains: the scientific programmes at the the SRS, progress on beamlines, instrumentation and computing developments, and activities connected with accelerator development. (U.K.)

  19. Synchrotron-radiation phase-contrast imaging of human stomach and gastric cancer: in vitro studies.

    Science.gov (United States)

    Tang, Lei; Li, Gang; Sun, Ying-Shi; Li, Jie; Zhang, Xiao-Peng

    2012-05-01

    The electron density resolution of synchrotron-radiation phase-contrast imaging (SR-PCI) is 1000 times higher than that of conventional X-ray absorption imaging in light elements, through which high-resolution X-ray imaging of biological soft tissue can be achieved. For biological soft tissue, SR-PCI can give better imaging contrast than conventional X-ray absorption imaging. In this study, human resected stomach and gastric cancer were investigated using in-line holography and diffraction enhanced imaging at beamline 4W1A of the Beijing Synchrotron Radiation Facility. It was possible to depict gastric pits, measuring 50-70 µm, gastric grooves and tiny blood vessels in the submucosa layer by SR-PCI. The fine structure of a cancerous ulcer was displayed clearly on imaging the mucosa. The delamination of the gastric wall and infiltration of cancer in the submucosa layer were also demonstrated on cross-sectional imaging. In conclusion, SR-PCI can demonstrate the subtle structures of stomach and gastric cancer that cannot be detected by conventional X-ray absorption imaging, which prompt the X-ray diagnosis of gastric disease to the level of the gastric pit, and has the potential to provide new methods for the imageology of gastric cancer.

  20. Fast photoconductor CdTe detectors for synchrotron x-ray studies

    International Nuclear Information System (INIS)

    Yoo, Sung Shik; Faurie, J.P.; Huang Qiang; Rodricks, B.

    1993-09-01

    The Advanced Photon Source will be that brightest source of synchrotron x-rays when it becomes operational in 1996. During normal operation, the ring will be filled with 20 bunches of positrons with an interbunch spacing of 177 ns and a bunch width of 119 ps. To perform experiments with x-rays generated by positrons on these time scales one needs extremely high speed detectors. To achieve the necessary high speed, we are developing MBE-grown CdTe-base photoconductive position sensitive array detectors. The arrays fabricated have 64 pixels with a gap of 100 μm between pixels. The high speed response of the devices was tested using a short pulse laser. X-ray static measurements were performed using an x-ray tube and synchrotron radiation to study the device's response to flux and wavelength changes. This paper presents the response of the devices to some of these tests and discusses different physics aspects to be considered when designing high speed detectors

  1. Sounding experiments of high pressure gas discharge

    International Nuclear Information System (INIS)

    Biele, Joachim K.

    1998-01-01

    A high pressure discharge experiment (200 MPa, 5·10 21 molecules/cm 3 , 3000 K) has been set up to study electrically induced shock waves. The apparatus consists of the combustion chamber (4.2 cm 3 ) to produce high pressure gas by burning solid propellant grains to fill the electrical pump chamber (2.5 cm 3 ) containing an insulated coaxial electrode. Electrical pump energy up to 7.8 kJ at 10 kV, which is roughly three times of the gas energy in the pump chamber, was delivered by a capacitor bank. From the current-voltage relationship the discharge develops at rapidly decreasing voltage. Pressure at the combustion chamber indicating significant underpressure as well as overpressure peaks is followed by an increase of static pressure level. These data are not yet completely understood. However, Lorentz forces are believed to generate pinching with subsequent pinch heating, resulting in fast pressure variations to be propagated as rarefaction and shock waves, respectively. Utilizing pure axisymmetric electrode initiation rather than often used exploding wire technology in the pump chamber, repeatable experiments were achieved

  2. The CERN Super Proton Synchrotron as a tool to study high energy density physics

    CERN Document Server

    Tahir, N A; Brugger, M; Assmann, R; Shutov, A V; Lomonosov, I V; Piriz, A R; Hoffmann, D H H; Deutsch, C; Fortov3, V E

    2008-01-01

    An experimental facility named HiRadMat, will be constructed at CERN to study the impact of the 450 GeV c−1 proton beam generated by the Super Proton Synchrotron (SPS) on solid targets. This is designed to study damage caused to the equipment including absorbers, collimators and others in case of an accidental release of the beam energy. This paper presents two-dimensional numerical simulations of target behavior irradiated by the SPS beam. These numerical simulations have shown that the target will be completely destroyed in such an accident, thereby generating high energy density (HED) matter. This study therefore suggests that this facility may also be used for carrying out dedicated experiments to study HED states in matter.

  3. Synchrotron X-ray scattering studies at mineral-water interfaces

    International Nuclear Information System (INIS)

    Chiarello, R.P.; Sturchio, N.C.

    1995-01-01

    Synchrotron X-ray scattering techniques provide a powerful tool for the in situ study of atomic scale processes occurring at solid-liquid interfaces. We have applied these techniques to characterize and study reactions at mineral-water interfaces. Here we present two examples. The first is the characterization of the calcite (CaCO 3 ) (10 bar 14) cleavage surface, in equilibrium with deionized water, by crystal truncation rod measurements. The second is the in situ study of the heteroepitaxial growth of otavite (CdCO 3 ) on the calcite (10 bar 14) cleavage surface. The results of such studies will lead to significant progress in understanding mineral-water interface geochemistry

  4. In-Situ Synchrotron X-ray Study of the Phase and Texture Evolution of Ceria and Superconductor Films Deposited by Chemical Solution Method

    DEFF Research Database (Denmark)

    Yue, Zhao; Grivel, Jean-Claude; He, Dong

    2012-01-01

    In situ synchrotron x-ray diffraction is used to study the phase and texture formation of ceria based films and superconductor films deposited by the chemical solution method on technical substrates. Combined analysis using in situ synchrotron x-ray diffraction, thermogravimetry/differential ther......In situ synchrotron x-ray diffraction is used to study the phase and texture formation of ceria based films and superconductor films deposited by the chemical solution method on technical substrates. Combined analysis using in situ synchrotron x-ray diffraction, thermogravimetry...

  5. High pressure orthorhombic structure of CuInSe2

    International Nuclear Information System (INIS)

    Bovornratanaraks, T; Saengsuwan, V; Yoodee, K; McMahon, M I; Hejny, C; Ruffolo, D

    2010-01-01

    The structural behaviour of CuInSe 2 under high pressure has been studied up to 53 GPa using angle-dispersive x-ray powder diffraction techniques. The previously reported structural phase transition from its ambient pressure tetragonal structure to a high pressure phase with a NaCl-like cubic structure at 7.6 GPa has been confirmed. On further compression, another structural phase transition is observed at 39 GPa. A full structural study of this high pressure phase has been carried out and the high pressure structure has been identified as orthorhombic with space group Cmcm and lattice parameters a = 4.867(8) A, b = 5.023(8) A and c = 4.980(3) A at 53.2(2) GPa. This phase transition behaviour is similar to those of analogous binary and trinary semiconductors, where the orthorhombic Cmcm structure can also be viewed as a distortion of the cubic NaCl-type structure.

  6. Electron spin transition causing structure transformations of earth's interiors under high pressure

    Science.gov (United States)

    Yamanaka, T.; Kyono, A.; Kharlamova, S.; Alp, E.; Bi, W.; Mao, H.

    2012-12-01

    To elucidate the correlation between structure transitions and spin state is one of the crucial problems for understanding the geophysical properties of earth interiors under high pressure. High-pressure studies of iron bearing spinels attract extensive attention in order to understand strong electronic correlation such as the charge transfer, electron hopping, electron high-low spin transition, Jahn-Teller distortion and charge disproponation in the lower mantle or subduction zone [1]. Experiment Structure transitions of Fe3-xSixO4, Fe3-xTixO4 Fe3-xCrxO4 spinel solid solution have been investigated at high pressure up to 60 GPa by single crystal and powder diffraction studies using synchrotron radiation with diamond anvil cell. X-ray emission experiment (XES) at high pressure proved the spin transition of Fe-Kβ from high spin (HS) to intermediate spin state (IS) or low spin state (LS). Mössbauer experiment and Raman spectra study have been also conducted for deformation analysis of Fe site and confirmation of the configuration change of Fe atoms. Jahn-Teller effect A cubic-to-tetragonal transition under pressure was induced by Jahn-Teller effect of IVFe2+ (3d6) in the tetrahedral site of Fe2TiO4 and FeCr2O4, providing the transformation from 43m (Td) to 42m (D2d). Tetragonal phase is formed by the degeneracy of e orbital of Fe2+ ion. Their c/a ratios are c/adisordered in the M2 site. At pressures above 53 GPa, Fe2TiO4 structure further transforms to Pmma. This structure change results in the order-disorder transition [2]. New structure of Fe2SiO4 The spin transition exerts an influence to Fe2SiO4 spinel structure and triggers two distinct curves of the lattice constant in the spinel phase. The reversible structure transition from cubic to pseudo-rhombohedral phase was observed at about 45 GPa. This transition is induced by the 20% shrinkage of ionic radius of VIFe2+at the low sin state. Laser heating experiment at 1500 K has confirmed the decomposition from the

  7. Synchrotron X-ray fluorescence studies of a bromine-labelled cyclic RGD peptide interacting with individual tumor cells

    International Nuclear Information System (INIS)

    Sheridan, Erin J.; Austin, Christopher J. D.; Aitken, Jade B.; Vogt, Stefan; Jolliffe, Katrina A.; Harris, Hugh H.; Rendina, Louis M.

    2013-01-01

    The first example of synchrotron X-ray fluorescence imaging of cultured mammalian cells in cyclic peptide research is reported. The study reports the first quantitative analysis of the incorporation of a bromine-labelled cyclic RGD peptide and its effects on the biodistribution of endogenous elements (for example, K and Cl) within individual tumor cells. The first example of synchrotron X-ray fluorescence imaging of cultured mammalian cells in cyclic peptide research is reported. The study reports the first quantitative analysis of the incorporation of a bromine-labelled cyclic RGD peptide and its effects on the biodistribution of endogenous elements (for example, K and Cl) within individual tumor cells

  8. Study of Laser Wakefield Accelerators as injectors for Synchrotron light sources

    CERN Document Server

    Hillenbrand, Steffen; Müller, Anke-Susanne; Jansen, Oliver; Judin, Vitali; Pukhov, Alexander

    2014-01-01

    Laser WakeField Accelerators (LWFA) feature short bunch lengths and high peak currents, combined with a small facility footprint. This makes them very interesting as injectors for Synchrotron light sources. Using the ANKA Synchrotron as an example, we investigate the possibility to inject a LWFA bunch into an electron storage ring. Particular emphasis is put on the longitudinal evolution of the bunch.

  9. Practical conditions in the neutron diffraction under high pressure

    International Nuclear Information System (INIS)

    Kamigaki, Kazuo; Ohashi, Masayoshi

    1993-01-01

    Practical analysis is made on some conditions in utilizing neutrons for the study of atomistic structure of materials under high pressure. Investigation is made on the geometrical conditions; size of the specimen, width of slits, and the rate of extra-scattering. Experiments are performed on the effects of absorption by high pressure cell and the disturbance due to an overlapping of diffraction peaks. An observation is presented on the pressure-induced transformation in RbBr. (author)

  10. European Synchrotron Radiation Facility

    International Nuclear Information System (INIS)

    Buras, B.

    1985-01-01

    How a European Synchrotron Radiation Facility has developed into a detailed proposal recently accepted as the basis for construction of the facility at Grenoble is discussed. In November 1977, the General Assembly of the European Science Foundation (ESF) approved the report of the ESF working party on synchrotron radiation entitled Synchrotron Radiation - a Perspective View for Europe. This report contained as one of its principal recommendations that work should commence on a feasibility study for a European synchrotron radiation laboratory having a dedicated hard X-ray storage ring and appropriate advanced instrumentation. In order to prepare a feasibility study the European Science Foundation set up the Ad-hoc Committee on Synchrotron Radiation, which in turn formed two working groups: one for the machine and another for instrumentation. This feasibility study was completed in 1979 with the publication of the Blue Book describing in detail the so called 1979 European Synchrotron Radiation Facility. The heart of the facility was a 5 GeV electron storage ring and it was assumed that mainly the radiation from bending magnets will be used. The facility is described

  11. High pressure effects on fruits and vegetables

    NARCIS (Netherlands)

    Timmermans, R.A.H.; Matser, A.M.

    2016-01-01

    The chapter provides an overview on different high pressure based treatments (high pressure pasteurization, blanching, pressure-assisted thermal processing, pressure-shift freezing and thawing) available for the preservation of fruits and vegetable products and extending their shelf life. Pressure

  12. Synchrotron SAXS Studies of Nanostructured Materials and Colloidal Solutions: A Review

    Directory of Open Access Journals (Sweden)

    Craievich A.F.

    2002-01-01

    Full Text Available Structural characterisations using the SAXS technique in a number of nanoheterogeneous materials and liquid solutions are reviewed. The studied systems are protein (lysozyme/water solutions, colloidal ZnO particles/water sols, nanoporous NiO-based xerogels, hybrid organic-inorganic siloxane-PEG and PPG nanocomposites and PbTe semiconductor nanocrystals embedded in a glass matrix. These investigations also focus on the transformations of time-varying structures and on structural changes related to variations in temperature and composition. The reviewed investigations aim at explaining the unusual and often interesting properties of nanostructured materials and solutions. Most of the reported studies were carried out using the SAXS beamline at the National Synchrotron Light Laboratory (LNLS, Campinas, Brazil.

  13. Time-resolved X-ray studies using third generation synchrotron radiation sources

    International Nuclear Information System (INIS)

    Mills, D.M.

    1991-10-01

    The third generation, high-brilliance, hard x-ray, synchrotron radiation (SR) sources currently under construction (ESRF at Grenoble, France; APS at Argonne, Illinois; and SPring-8 at Harima, Japan) will usher in a new era of x-ray experimentation for both physical and biological sciences. One of the most exciting areas of experimentation will be the extension of x-ray scattering and diffraction techniques to the study of transient or time-evolving systems. The high repetition rate, short-pulse duration, high brilliance, and variable spectral bandwidth of these sources make them ideal for x-ray time-resolved studies. The temporal properties (bunch length, interpulse period, etc.) of these new sources will be summarized. Finally, the scientific potential and the technological challenges of time-resolved x-ray scattering from these new sources will be described. 13 refs., 4 figs

  14. A study of the chemical budget of Lake Baikal using neutron activation and synchrotron radiation

    International Nuclear Information System (INIS)

    Granina, L.; Tomza, U.; Arimoto, R.; Grachev, A.; Granin, M.

    2000-01-01

    Beginning in 1993, neutron activation analysis (NAA) and synchrotron radiation X-ray fluorescence analysis (SRXFA) have been used to investigate the composition of particles suspended in Lake Baikal and its major tributaries. Both techniques have provided data on the concentration of a wide range of elements with neutron activation offering the first data on several rare earth elements and other minor elements. While each technique appears to be more suitable for determining the concentration of certain elements than an alternate technique, both techniques are in close agreement in their analysis of most of the elements studied. International standard reference materials were used to calibrate and validate the analyses and allow results from the two methods to be compared. The results of this study have been combined with published data to calculate the total elemental input into the lake

  15. Synchrotron SAXS studies of nanostructured materials and colloidal solutions: a review

    International Nuclear Information System (INIS)

    Craievich, A.F.

    2002-01-01

    Structural characterisations using the SAXS technique in a number of nano heterogeneous materials and liquid solutions are reviewed. The studied systems are protein (lysozyme)/water solutions, colloidal Zn O particles/water sols, nano porous Ni O-based xerogels, hybrid organic-inorganic siloxane-PEG and PPG nano composites and PbTe semiconductor nano crystals embedded in a glass matrix. These investigations also focus on the transformations of time-varying structures and on structural changes related to variations in temperature and composition. The reviewed investigations aim at explaining the unusual and often interesting properties of nano structured materials and solutions. Most of the reported studies were carried out using the SAXS beamline at the National Synchrotron Light Laboratory (LNLS), Campinas, Brazil.(author)

  16. Experimental Studies of Sealing Mechanism of a Dismountable Microsystem-to-Macropart Fluidic Connector for High Pressure and a Wide Range of Temperature

    Directory of Open Access Journals (Sweden)

    Hugo Nguyen

    2010-01-01

    Full Text Available As fluidic microelectromechanical devices are developing and often attached to, or embedded in, large, complex, and expensive systems, the issues of modularity, maintenance, and subsystem replacement arise. In this work, a robust silicon connector suitable for high-pressure applications—likely with harsh fluids—in the temperature range of +100 to −100° C is demonstrated and tested together with a stainless steel nipple representing a simple and typical macropart. With a micromachined circular membrane equipped with a 5 μm high ridge, this connector is able to maintain a leak rate below 2.0×10−8 scc/s of gaseous helium with a pressure of up to 9.7 bar. Degradation of the sealing performance on reassembly is associated with the indentation of the ridge. However, the ridge makes the sealing interface less sensitive to particles in comparison with a flat reference. Most evaluation is made through the so-called heat-until-leak tests conducted to determine the maximum working temperature and the sealing mechanism of the connector. A couple of these are followed by cryogenic testing. The effect of thermal mismatch of the components is discussed and utilized as an early warning mechanism.

  17. High-pressure and high-temperature physical properties of LiF studied by density functional theory calculations and molecular dynamics simulations

    Science.gov (United States)

    Sun, Xiao-Wei; Liu, Zi-Jiang; Quan, Wei-Long; Song, Ting; Khenata, Rabah; Bin-Omran, Saad

    2018-05-01

    Using the revised Perdew-Burke-Ernzerhof generalized gradient approximation based on first-principles plane-wave pseudopotential density functional theory, the high-pressure structural phase transition of LiF is explored. From the analysis of Gibbs free energies, we find that no phase transition occurs for LiF in the presented pressure range from 0 to 1000 GPa, and this result is consistent with the theoretical prediction obtained via ab initio calculations [N.A. Smirnov, Phys. Rev. B 83 (2011) 014109]. Using the classical molecular dynamics technique with effective pair potentials which consist of the Coulomb, dispersion, and repulsion interaction, the melting phase diagram of LiF is determined. The obtained normalized volumes under pressure are in good agreement with our density functional theory results and the available experimental data. Meanwhile, with the help of the quasi-harmonic Debye model in which the phononic effects are considered, the thermodynamic properties of interest, including the volume thermal expansion coefficient, isothermal bulk modulus and its first and second pressure derivatives, heat capacity at constant volume, entropy, Debye temperature, and Grüneisen parameter of LiF are predicted systematically. All the properties of LiF with the stable NaCl-type structure in the temperature range of 0-4900 K and the pressure up to 1000 GPa are summarized.

  18. Preliminary study on the photoproduction of hydroxyl radicals in aqueous solution with Aldrich humic acid, algae and Fe(III) under high-pressure mercury lamp irradiation.

    Science.gov (United States)

    Liu, Xianli; Xu, Dong; Wu, Feng; Liao, Zhenhuan; Liu, Jiantong; Deng, Nansheng

    2004-03-01

    Under a high-pressure mercury lamp (HPML) and using an exposure time of 4 h, the photoproduction of hydroxyl radicals (*OH) could be induced in an aqueous solution containing humic acid (HA). Hydroxyl radicals were determined by high-performance liquid chromatography using benzene as a probe. The results showed that *OH photoproduction increased from 1.80 to 2.74 microM by increasing the HA concentration from 10 to 40 mg L(-1) at an exposure time of 4 h (pH 6.5). Hydroxyl radical photoproduction in aqueous solutions of HA containing algae was greater than that in the aqueous solutions of HA without algae. The photoproduction of *OH in the HA solution with Fe(III) was greater than that of the solution without Fe(III) at pH ranging from 4.0 to 8.0. The photoproduction of *OH in HA solution with algae with or without Fe(III) under a 250 W HPML was greater than that under a 125 W HPML. The photoproduction of *OH in irradiated samples was influenced by the pH. The results showed that HPML exposure for 4 h in the 4-8 pH range led to the highest *OH photoproduction at pH 4.0.

  19. X-ray diffraction study on the microstructure of a Mg-Zn-Y alloy consolidated by high-pressure torsion

    Energy Technology Data Exchange (ETDEWEB)

    Jenei, Peter [Department of Materials Physics, Eoetvoes Lorand University, Budapest, P.O.B. 32, H-1518 (Hungary); Gubicza, Jeno, E-mail: gubicza@metal.elte.hu [Department of Materials Physics, Eoetvoes Lorand University, Budapest, P.O.B. 32, H-1518 (Hungary); Yoon, Eun Yoo; Kim, Hyoung Seop [Department of Materials Science and Engineering, POSTECH, Pohang 790-784 (Korea, Republic of)

    2012-10-25

    Highlights: Black-Right-Pointing-Pointer Mg{sub 95}Zn{sub 4.3}Y{sub 0.7} powder was consolidated by HPT at RT and 373 K. Black-Right-Pointing-Pointer The consolidated disks comprised ultrafine grains with high density of dislocations. Black-Right-Pointing-Pointer Quasicrystalline dispersoids strengthen the material by increasing the dislocation density. Black-Right-Pointing-Pointer Twinning in the Mg matrix was marginal during HPT. - Abstract: Mg{sub 95}Zn{sub 4.3}Y{sub 0.7} (at.%) alloy powder produced by an inert gas-atomizer was consolidated by high-pressure torsion (HPT) at room temperature and 373 K. The phase composition and the microstructure were investigated by X-ray diffraction and the microstructural parameters were correlated to the yield strength. HPT-processing yielded an ultrafine-grained microstructure with high dislocation density, leading to a large yield strength of the samples. Both the gas-atomized powder and the consolidated samples contained an icosahedral Mg{sub 3}YZn{sub 6} phase (I-phase) besides the main phase of {alpha}-Mg. It turned out that the I-phase dispersoids strengthen the consolidated material indirectly by increasing the dislocation density due to their pinning effect.

  20. Developments in time-resolved high pressure x-ray diffraction using rapid compression and decompression

    International Nuclear Information System (INIS)

    Smith, Jesse S.; Sinogeikin, Stanislav V.; Lin, Chuanlong; Rod, Eric; Bai, Ligang; Shen, Guoyin

    2015-01-01

    Complementary advances in high pressure research apparatus and techniques make it possible to carry out time-resolved high pressure research using what would customarily be considered static high pressure apparatus. This work specifically explores time-resolved high pressure x-ray diffraction with rapid compression and/or decompression of a sample in a diamond anvil cell. Key aspects of the synchrotron beamline and ancillary equipment are presented, including source considerations, rapid (de)compression apparatus, high frequency imaging detectors, and software suitable for processing large volumes of data. A number of examples are presented, including fast equation of state measurements, compression rate dependent synthesis of metastable states in silicon and germanium, and ultrahigh compression rates using a piezoelectric driven diamond anvil cell