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Sample records for high-pressure moessbauer studies

  1. 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.

  2. 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.

  3. Superconducting FeSe{sub 0.5}Te{sub 0.5} under high pressure: Susceptibility, XRD and Moessbauer studies.

    Energy Technology Data Exchange (ETDEWEB)

    Ksenofontov, Vadim; Schoop, Leslie; Felser, Claudia [Institute of Inorganic and Analytical Chemistry, Johannes Gutenberg University, Mainz (Germany); Medvedev, Sergey; Eremets, Michail [Max-Planck-Institute for Chemistry, Mainz (Germany); Tsurkan, Vladimir; Deisenhofer, Joachim; Loidl, Alois [Institute of Physics, University of Augsburg, Augsburg (Germany); Wortmann, Gerhard [Department of Physics, University of Paderborn, Paderborn (Germany)

    2011-07-01

    High-pressure magnetic, structural and Moessbauer studies were performed on single-crystalline samples of superconducting (sc) FeSe{sub 0.5}Te{sub 0.5} with T{sub c} = 14.5 K. Susceptibility data up to 1.5 GPa revealed a strong increase of Tc up to 25 K, followed by a plateau in T{sub c} up to 6.0 GPa. Further increase of pressure leads to a disappearance of sc state around 7.0 GPa. Structural and Moessbauer studies explain this fact by a structural phase transition of the sc PbO to the non-sc NiAs structure. We discuss the fact of an almost pressure-independent T{sub c}, between 1.5 and 6.0 GPa by the respective variation of the lattice constants and hyperfine parameters in FeSe. We conclude that the strong increase of T{sub c} in FeSe{sub 0.5}Te{sub 0.5} with pressure up to 1.5 GPa can not be attributed to a change in the phonon-DOS.

  4. Moessbauer Studies of Implanted Impurities in Solids

    CERN Multimedia

    2002-01-01

    Moessbauer studies were performed on implanted radioactive impurities in semiconductors and metals. Radioactive isotopes (from the ISOLDE facility) decaying to a Moessbauer isotope were utilized to investigate electronic and vibrational properties of impurities and impurity-defect structures. This information is inferred from the measured impurity hyperfine interactions and Debye-Waller factor. In semiconductors isoelectronic, shallow and deep level impurities have been implanted. Complex impurity defects have been produced by the implantation process (correlated damage) or by recoil effects from the nuclear decay in both semiconductors and metals. Annealing mechanisms of the defects have been studied. \\\\ \\\\ In silicon amorphised implanted layers have been recrystallized epitaxially by rapid-thermal-annealing techniques yielding highly supersaturated, electrically-active donor concentrations. Their dissolution and migration mechanisms have been investigated in detail. The electronic configuration of Sb donors...

  5. Coordination of Fe, Ga and Ge in high pressure glasses by Moessbauer, Raman and X-ray absorption spectroscopy, and geological implications

    Science.gov (United States)

    Fleet, M. E.; Henderson, G. S.; Herzberg, C. T.; Crozier, E. D.; Osborne, M. D.; Scarfe, C. M.

    1984-01-01

    For some time, it has been recognized that the structure of silicate liquids has a great bearing on such magma properties as viscosity, diffusivity, and thermal expansion and on the extrapolation of thermodynamic quantities outside of the experimentally measurable range. In this connection it is vital to know if pressure imposes changes in melt structure similar to the pressure-induced reconstructive transformations in crystals. In the present study on 1 bar and high pressure glasses, an investigation is conducted regarding the coordination of Fe(3+) in Fe silicate glasses by Moessbauer spectroscopy. Raman spectroscopy is employed to explore the coordinations of Ge(4+) in GeO2 glasses and of Ga(3+) in NaGa silicate glasses, while the coordination of Ga(3+) in NaGaSiO4 glasses is studied with the aid of methods of X-ray absorption spectroscopy.

  6. Moessbauer Study of Multiple Substitutions in YBCO

    Energy Technology Data Exchange (ETDEWEB)

    Sarkar, M.; Patel, N. V.; Mehta, P. K.; Somayajulu, D. R. S. [M.S. University, Physics Department (India)

    2001-11-15

    Moessbauer studies of multiple substitutions in YBCO with general formula (Y{sub 1-Z}Ca{sub Z})Ba{sub 2}(Cu{sub 1-X-Y}Fe{sub Y}M{sub X}){sub 3}O{sub 7-{delta}} are reported. XRD has been used to find out the lattice parameters. All the samples show a single tetragonal phase formation. Iodometric titration is done to estimate the oxygen content. The present study discusses the effect of multiple substitutions of 3d-ions like Ni, Zn, Co, Mn, Cr in YBCO and the effect of various substitutions on charge balancing, oxygen content and site occupancy.

  7. Moessbauer spectroscopic study of half-Heusler compounds

    Energy Technology Data Exchange (ETDEWEB)

    Ksenofontov, V., E-mail: v.ksenofontov@uni-mainz.de; Kroth, K.; Reiman, S.; Casper, F.; Jung, V. [Johannes Gutenberg Universitaet, Institut fuer Anorganische Chemie und Analytische Chemie (Germany); Takahashi, M.; Takeda, M. [Toho University, Department of Chemistry, Faculty of Science (Japan); Felser, C. [Johannes Gutenberg Universitaet, Institut fuer Anorganische Chemie und Analytische Chemie (Germany)

    2006-02-15

    The family of half-Heusler compounds offers a variety of half-metallic ferromagnetic materials. We have applied the Moessbauer spectroscopy to study the atomic order, local surroundings and hyperfine fields to several half-Heusler compounds. {sup 121}Sb Moessbauer study of the compound CoMnSb revealed the presence of two nonequivalent antimony positions in the elementary cell and enabled to identify the structure. {sup 119m}Sn, {sup 155}Gd and {sup 197}Au Moessbauer spectroscopic studies were used to characterize the properties of ferromagnetic granular material based on the half-Heusler ferromagnet MnAuSn in the antiferromagnetic GdAuSn matrix.

  8. High pressure studies of molecular lumenescence

    Energy Technology Data Exchange (ETDEWEB)

    Drickamer, H.G.

    1982-01-01

    The studies of high pressure molecular luminescence reviewed, along with results for inorganic systems discussed elsewhere, provide evidence about the versatility and power of high pressure as a tool for characterizing electronic states, testing theories concerning electronic phenomena, and generally obtaining a better understanding of electronic behavior in condensed systems. 16 figures.

  9. Moessbauer studies of impactites from Huamalies province in Huanuco Region

    Energy Technology Data Exchange (ETDEWEB)

    Bustamante, A., E-mail: abustamanted@unmsm.edu.pe; Espinoza, S. [San Marcos University, Faculty of Physical Sciences (Peru); Morales, G. [Museo de Historia Natural(Museum of Natural History) (Peru); Scorzelli, R. B. [Centro Brasileiro de Pesquisas Fisicas (Brazilian Center for Research in Physics) (Brazil)

    2005-11-15

    This report is about the X-ray diffraction and Moessbauer studies of three impactite samples denominated PMe-8, PMe-9 and PMe-11 from Huamalies Province in Huanuco Region, Peru. When terrestrial rocks are submitted to pressures higher than 60 GP, the majority is completely melted, forming a kind of glass called impactites. X-ray diffraction indicates the presence of quartz as the principal mineralogical phase in all samples. The {sup 57}Fe Moessbauer spectra at room temperature of samples PMe-8 and PMe-9 show broadened spectra that were fitted using a distribution model. The most probable field of the magnetic component is 34 T, corresponding to the presence of small particles of goethite, confirmed by the 4.2 K spectrum. For the sample PMe-11, the MS showed the presence of well crystallized hematite.

  10. High pressure structural studies of conjugated molecules

    DEFF Research Database (Denmark)

    Knaapila, Matti; Torkkeli, Mika; Scherf, Ullrich

    2018-01-01

    This chapter highlights high pressure GPa level structural studies of conjugated polymers and their analogues: conjugated oligomers and molecules, and rigid rod polymers. Attention is placed on our recent studies of polyfluorenes.......This chapter highlights high pressure GPa level structural studies of conjugated polymers and their analogues: conjugated oligomers and molecules, and rigid rod polymers. Attention is placed on our recent studies of polyfluorenes....

  11. High-pressure study on some superconductors

    CERN Document Server

    Li, K Q; Yao, Y S; Che, G C; Zhao, Z X

    2002-01-01

    High-pressure study has played an important role in the investigation of conventional superconductors. Since the discovery of cuprate superconductors, high-pressure study has become even more important, especially as regards high-pressure synthesis and the effect of pressure. In this report, the new materials Ca-doped Pr-123, (Fe, Cu)-1212, and MgB sub 2 - a very new and interesting system synthesized under high pressure with good quality - will be discussed. Chemical inner pressure has been thought to explain the high T sub c of Ca-doped Pr-123. As another possibility, the replacement of the physical pressure effect by a chemical effect will be discussed.

  12. Comparative Study of Human Liver Ferritin and Chicken Liver by Moessbauer Spectroscopy. Preliminary Results

    Energy Technology Data Exchange (ETDEWEB)

    Oshtrakh, M. I. [Ural State Technical University - UPI, Division of Applied Biophysics, Faculty of Physical Techniques and Devices for Quality Control (Russian Federation); Milder, O. B.; Semionkin, V. A. [Ural State Technical University - UPI, Faculty of Experimental Physics (Russian Federation); Prokopenko, P. G. [Russian State Medical University, Faculty of Biochemistry (Russian Federation); Malakheeva, L. I. [Simbio Holding, Science Consultation Department (Russian Federation)

    2004-12-15

    A comparative study of normal human liver ferritin and livers from normal chicken and chicken with Marek disease was made by Moessbauer spectroscopy. Small differences of quadrupole splitting and isomer shift were found for human liver ferritin and chicken liver. Moessbauer parameters for liver from normal chicken and chicken with Marek disease were the same.

  13. Moessbauer spectroscopic study on inorganic compounds. Pt. 2

    Energy Technology Data Exchange (ETDEWEB)

    Takahashi, Masashi; Kitazawa, Takafumi; Nanba, Hiroshi; Yoshinaga, Tomohiro; Nakajima, Norio; Sumisawa, Yasuhiro; Takeda, Masuo [Toho Univ., Funabashi, Chiba (Japan). Faculty of Science; Sawahata, Hiroyuki; Ito, Yasuo

    1998-01-01

    {sup 166}Er and {sup 127}I Moessbauer spectra were observed. {sup 166}Er Moessbauer spectrum of Er metal and 9 compounds were measured by {sup 166}Ho/Y{sub 0.6}Ho{sub 0.4}H{sub 2} source at 12K and the parameters such as e{sup 2}qQ(mm s{sup -1}), Heff(T) and {tau}(ns) were determined. The relaxation time of ErCl{sub 3}{center_dot}6H{sub 2}O was 0.7ns, long, but that of ErCl{sub 3} was 10 ps, short time. {sup 127}I Moessbauer spectrum of PhI(O{sub 2}CR){sub 2} (R=CH{sub 3}, CHF{sub 2}, CH{sub 2}Cl, CHCl{sub 2}, CCl{sub 3}, CH{sub 2}Br, CHBr{sub 2} and CBr{sub 3}) were observed and compared with that of R`{sub 3}Sb(O{sub 2}CR){sub 2} was similar to that of PhI(O{sub 2}CR){sub 2}. The correlation coefficient between e{sup 2}qQ({sup 127}I) and Mulliken population of carboxylic hydrogen atom of R{sub 2}CO{sub 2}H was -0.87. The relation between the hypervalent bond of O-I-O and that of O-Sb-0 was shown by the equation: e{sup 2}qQ({sup 121}Sb)/mm s{sup -1} = -47.2 + 1.32 e{sup 2}qQ({sup 127}I)/mm s{sup -1}. Hypervalent iodine complex such as (PhI(py){sub 2}){sup 2+} salt and E-Sb-I (E=O, I, N and C) were studied, too. (S.Y.)

  14. Magnetic and Moessbauer studies of Fe/V multilayers

    Energy Technology Data Exchange (ETDEWEB)

    Fnidiki, A.; Juraszek, J.; Teillet, J. [Groupe de Metallurgie Physique, equipe Magnetisme et Applications, UMR CNRS 6634, Faculte des Sciences de Rouen, 76821 Mont-Saint-Aignan Cedex (France); Duc, N.H.; Danh, T.M. [Cryogenic Laboratory, University of Hanoi (Viet Nam); Kaabouchi, M.; Sella, C. [Laboratoire de Magnetisme et d' Optique, 92195 Meudon Bellevue (France)

    1998-07-06

    The structural and magnetic properties of rf-sputtered Fe/V multilayers with the elemental Fe and V layer thickness t{sub Fe}=t{sub V} and with the structural modulation period {lambda} ranging from 2 nm to 24 nm have been studied by high-angle x-ray diffraction, vibrating-sample magnetometry, and conversion-electron Moessbauer spectrometry methods at room temperature. The results show that the Fe/V interfaces are paramagnetic. The magnetic behaviour of the multilayers, hence, originates from the {alpha}-Fe at the centres of the individual subsystems and the iron-rich crystalline Fe(V) alloy lying near the interface. The spin orientation in the Fe layers is strongly aligned in the film plane. However, evidence for a weak perpendicular spin orientation associated with the magnetic topmost Fe layer is found. (author)

  15. Moessbauer Study of Discoloration of Synthetic Resin Covered Electric Switches

    Energy Technology Data Exchange (ETDEWEB)

    Kuzmann, E. [Eoetvoes University, Department of Nuclear Chemistry (Hungary); Muzsay, I.; Homonnay, Z. [Taurus EMERGE, Rubber Industrial Ltd (Hungary); Vertes, A. [Eoetvoes University, Department of Nuclear Chemistry (Hungary)

    2002-03-15

    {sup 57}Fe Moessbauer spectroscopy and X-ray diffractometry were used to investigate brown discoloration and sediments formed on the surface of synthetic resin product covered electronic switches. The Moessbauer measurement revealed that alloyed steels and iron-containing corrosion products are associated with the discolored layers. Iron, and iron corrosion products were shown by both MS and XRD in the sediments formed eventually during the finishing of the synthetic resin products after machining and washing with water solution.

  16. The stabilization of archaeological iron objects: Moessbauer and XRD studies

    Energy Technology Data Exchange (ETDEWEB)

    Wagner, Ursula [Technische Universitaet Muenchen, Physik-Department E15 (Germany); Demoulin, Thibault; Gebhard, Rupert [Archaeologische Staatssammlung Muenchen (Germany); Haeusler, Werner [Technische Universitaet Muenchen, Physik-Department E15 (Germany); Mazzola, Cristina; Meissner, Ina [Archaeologische Staatssammlung Muenchen (Germany); Wagner, Friedrich E., E-mail: fwagner@tum.de [Technische Universitaet Muenchen, Physik-Department E15 (Germany)

    2012-03-15

    Archaeological iron objects that were buried in the ground for long times often corrode rapidly once they have been excavated. We have used Moessbauer spectroscopy and X-ray diffraction to elucidate some specific problems of the corrosion of such objects and gain insights that may help to improve the methods of conservation.

  17. Atmospheric Corrosion on Steel Studied by Conversion Electron Moessbauer Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Nakanishi, Akio; Kobayashi, Takayuki [Shiga University of Medical Science, Department of Physics (Japan)

    2004-12-15

    In order to investigate initial products on steel by atmospheric corrosion, conversion electron Moessbauer measurements were carried out at temperatures between 15 K and room temperature. From the results obtained at low temperatures, it was found that the corrosion products on steel consisted of ferrihydrite.

  18. 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.

  19. Moessbauer study of austenite stability and impact fracture in Fe--6Ni steel

    Energy Technology Data Exchange (ETDEWEB)

    Fultz, B.T.

    1978-06-01

    The two phase (..cap alpha.. + ..gamma..) microstructure of a commercial cryogenic alloy steel was studied with regard to possible phase transformations induced by impact fracture. A backscatter Moessbauer spectrometer was constructed for measurements of atomic fractions of the two phases near specimen surfaces. Moessbauer spectra were collected from several types of unpolished and chemically polished surfaces of impact specimens to reveal (for the first time) the depth profile of the observed ..gamma.. ..-->.. ..cap alpha..' transformation near fracture surfaces. It was found that the spatial extent of transformation could be monotonically related to the impact energy absorbed by the specimen. These results are interpreted in light of several models of phase stability and impact toughness. A general description of the Moessbauer effect and methods of spectral analysis is included. The method of linear perturbations in the hyperfine magnetic field is discussed with respect to its general usefulness in obtaining chemical information for Moessbauer spectra of the ..cap alpha.. phase. The procedure adopted for spectral analysis was chosen to provide an accurate phase analysis at the expense of chemical information. Both the Moessbauer equipment and analysis procedures were developed with the primary objective of providing a routine metallurgical phase analysis technique for low alloy steels.

  20. Moessbauer study of steels cooled to dry ice temperature

    Energy Technology Data Exchange (ETDEWEB)

    Boyanov, B S [Plovdiv University ' Paisii Hilendarski' , 24 Tsar Assen St., 4000 Plovdiv (Bulgaria); Paneva, D G [Institute of Catalysis, Bulgarian Academy of Science, 1113 Sofia (Bulgaria); Ivanov, K I, E-mail: boyanb@uni-plovdiv.b [Agricultural University, Department of Chemistry, 12 Mendeleev St., 4000 Plovdiv (Bulgaria)

    2010-03-01

    Based on the change of hardness H{sub B,} the parameter {beta}, the microstructure and Moessbauer spectra of 7 kinds of steels the conclusion is made that in the conditions of CO{sub 2} (dry ice) cleaning, using dry ice for repair and modification of pipes and dry snow for cooling (-78.3 {sup 0}C) no significant change in the mechanical properties of the cleaned surfaces, mechanically processed steels and the steel pipes can be expected.

  1. Lattice dynamic studies from {sup 151}Eu-Moessbauer spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Katada, Motomi [Tokyo Metropolitan Univ., Hachioji (Japan). Faculty of Science

    1997-03-01

    New complexes {l_brace}(Eu(napy){sub 2}(H{sub 2}O){sub 3})(Fe(CN){sub 6})4H{sub 2}O{r_brace}{sub x}, bpy({l_brace}(Eu(bpy)(H{sub 2}O){sub 4})(Fe(CN){sub 6})1.5bpy4H{sub 2}O{r_brace}{sub x}) and ({l_brace}(Eu(phen){sub 2}(H{sub 2}O){sub 2})(Fe(CN){sub 6})2phen{r_brace}{sub x}) etc were synthesized using phenanthroline and bipyridine. Lattice dynamic behaviors of Eu and Fe atom in the complexes were investigated by Moessbauer spectroscopy. By {sup 151}Eu-Moessbauer spectrum and parameters of new complexes, bpy complex showed the largest quadrupole splitting value, indicating bad symmetry of Eu ligand in the environment. Molecular structure of napy, bpy and phen complex were shown. These complexes are consisted of Eu atom coordinated with ligand and water molecule, of which (Fe(CN){sub 6}){sup 3-} ion formed one dimentional polymer chain and naphthyridines formed stacking structure. New complexes were observed by {sup 57}Fe-Moessbauer spectroscopy, too. The quadrupole splitting values were very different each other, indicating change of symmetry of Fe atom in the environment and three valence low spin state of Fe in the complex. (S.Y.)

  2. Early Pottery Making in Northern Coastal Peru. Part I: Moessbauer Study of Clays

    Energy Technology Data Exchange (ETDEWEB)

    Shimada, I. [Southern Illinois University (United States); Haeusler, W.; Hutzelmann, T.; Wagner, U. [Technische Universitaet Muenchen, Physik-Department E15 (Germany)

    2003-09-15

    We report on an investigation of several ancient clays which were used for pottery making in northern coastal Peru at a kiln site from the Formative period (ca. 2000-800 BC) in the Poma Canal and at a Middle Sican pottery workshop in use between ca. AD 950 and 1050 at Huaca Sialupe in the lower La Leche valley. Neutron activation analysis, {sup 57}Fe Moessbauer spectroscopy and X-ray diffraction were used for the characterisation of the clays. The changes that occur in iron-bearing compounds in the clays depending on the kiln atmosphere and on the maximum firing temperature were studied by Moessbauer spectroscopy and X-ray diffraction. Laboratory firing series under varying controlled conditions were performed to obtain a basic understanding of the different reactions taking place in the clays during firing. The results can be used as models in the interpretation of the Moessbauer spectra observed in ancient ceramics from the same context.

  3. Moessbauer Spectroscopic Study of a Mural Painting from Morgadal Grande, Mexico

    Energy Technology Data Exchange (ETDEWEB)

    Kuno, A.; Matsuo, M. [University of Tokyo, Graduate School of Arts and Sciences (Japan); Soto, A. Pascual [Universidad Nacional Autonoma de Mexico, Instituto de Investigaciones Esteticas (Mexico); Tsukamoto, K. [Escuela Nacional de Antropologia e Historia (Mexico)

    2004-12-15

    In this study, {sup 57}Fe Moessbauer spectroscopy has been applied to fragments of a mural painting excavated at Morgadal Grande, Mexico, to characterize the pigments used. A sextet attributable to hematite ({alpha}-Fe{sub 2}O{sub 3}) was clearly detected in the red fragments. The spectra of orange fragments showed a doublet attributable to paramagnetic high-spin Fe{sup 3+}, which presumably originates from goethite ({alpha}-FeOOH) exhibiting superparamagnetic relaxation due to its small particle size. The blue fragments contained little iron. The scattered X-ray Moessbauer spectra revealed that the thickness of the pigments was larger than 20 {mu}m.

  4. Moessbauer Study of Ceramic Finds from the Galeria de las Ofrendas, Chavin de Huantar

    Energy Technology Data Exchange (ETDEWEB)

    Lumbreras, L. G. [Museo Nacional de Antropologia (Peru); Gebhard, R. [Archaeologische Staatssammlung Muenchen (Germany); Haeusler, W. [Technische Universitaet Muenchen, Physik-Department E15 (Germany); Kauffmann-Doig, F. [Universidad Peruana de Ciencias Aplicadas (UPC) (Peru); Riederer, J. [Rathgen-Forschungslabor (Germany); Sieben, G.; Wagner, U. [Technische Universitaet Muenchen, Physik-Department E15 (Germany)

    2003-09-15

    Ceramic finds from the Galeria de las Ofrendas at Chavin de Huantar and surface finds from the settlement of Chavin were characterised by combining the results of archaeological typology with archaeometric studies using neutron activation analysis, Moessbauer spectroscopy, X-ray diffraction and thin-section microscopy. Sherds from the pyramid Tello are included in the study as representative of local material. The analyses show that the vessels were made from different raw materials and that different firing procedures were used in their production. Sherds of certain styles largely exhibit similar types of Moessbauer patterns and in many instances also have similar element compositions. This supports the archaeological notion that the vessels were brought to Chavin from the provinces, perhaps on the occasion of a festivity.

  5. Phase analysis study of copper ferrite aluminates by X-ray diffraction and Moessbauer spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Almokhtar, M. E-mail: almoktar@aun.edu.egalmoktar@acc.aun.eun.eg; Abdalla, A.M.Atef M.; Gaffar, M.A

    2004-05-01

    CuFe{sub 2-x}Al{sub x}O{sub 4} (where x=0.0-0.6) have been synthesized at 950 deg. C, 1000 deg. C, 1050 deg. C and 1100 deg. C using the usual ceramic method. The Moessbauer measurements show reasonable values of magnetic as well as electric hyperfine interactions. At higher sintering temperatures, the spinel ferrite phase is partially dissociated forming delafossite phase in addition to the main matrix. The delafossite phase manifested itself as paramagnetic doublet overlapping the main Moessbauer spectra measured at room temperature. Furthermore, X-ray diffraction studies confirmed the presence of the CuFeO{sub 2} (delafossite) phase of Cu-Al ferrite.

  6. Moessbauer and X-ray study of the firing process for production of improved roofing tiles

    Energy Technology Data Exchange (ETDEWEB)

    Rekecki, R.; Kuzmann, E., E-mail: kuzmann@ludens.elte.hu; Homonnay, Z. [Eoetvoes University, Laboratory of Nuclear Chemistry, Institute of Chemistry (Hungary); Ranogajec, J. [University of Novi Sad, Faculty of Technology (Serbia)

    2013-04-15

    The effects of firing atmosphere parameters on the microstructural characteristics and physical properties of clay roofing tiles were studied. For these investigations, {sup 57}Fe Moessbauer spectroscopy, X-ray diffractometry and dilatometry were used. XRD of the raw material exploited from the clay pit belonging to the roofing tile factory 'Potisje-Kanjiza', revealed the presence of montmorillonite, kaolinite, illite and some chlorite clay minerals, as well as, quartz, albite, calcite and dolomite. Gradual changes were observed both in the {sup 57}Fe Moessbauer spectra and X-ray diffractograms with samples fired in reducing CO/N{sub 2} gas atmosphere at temperatures between 700 and 1060 Degree-Sign C. These changes reflect the dehydroxylation processes, oxide (Fe{sub 3}O{sub 4}) formation, carbonate decomposition, densification and new silicate (plagioclase) formation. The firing conditions in reducing atmosphere were determined to produce roofing tiles with improved properties.

  7. A Moessbauer Spectral Study of the Hull Steel and Rusticles Recovered from the Titanic

    Energy Technology Data Exchange (ETDEWEB)

    Long, Gary J., E-mail: glong@umr.edu; Hautot, Dimitri [University of Missouri-Rolla, Department of Chemistry (United States); Grandjean, Fernande; Vandormael, D. [University of Liege, Institute of Physics, B5 (Belgium); Leighly, H. P. [University of Missouri-Rolla, Department of Metallurgical Engineering (United States)

    2004-09-15

    The recent recovery of steel from the Titanic has permitted a 295 K conversion electron Moessbauer spectral study of the Titanic hull plate steel oriented with the gamma-ray direction either perpendicular or parallel to the microstructural banding directions. The two spectra reveal virtually identical average orientations of the magnetization close to the plane of the plate. The hyperfine parameters are virtually identical to those of {alpha}-iron, a finding which agrees with the chemical analysis which reveals at most 0.21 wt% carbon corresponding to 3 wt% of cementite in pearlite. A 4.2 to 295 K transmission Moessbauer spectral study of the rusticles reveals small particles of geothite undergoing superparamagnetic relaxation with a blocking temperature of ca. 300 K. In addition approximately two percent of the Moessbauer spectral absorption area corresponds to a quadrupole doublet with hyperfine parameters typical of green rust. The identified iron containing components in therusticles agree with the powder X-ray diffraction results which reveal the predominant presence of small particles of poorly crystallized goethite and traces of quartz and green rust. An average size of 20{+-}5 nm for the goethite particles is obtained from both the average hyperfine field and the broadening of the X-ray diffraction peaks. The magnetic anisotropy constant of the goethite particles deduced from the hyperfine field and the particle size is 8x10{sup 3} J/m{sup 3}.

  8. Study of iron valence state and position in sub-site by Moessbauer spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Uhm, Young Rang; Lim, Jae Cheong; KIm, Chul Sung [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of); Son, Kwang Jae [Kookmin Univ., Seoul (Korea, Republic of)

    2014-05-15

    The magnetic ordering temperature and the magnitude of the magnetic fields at the iron sites of YIG can be influenced by substituting, either partially or totally, the Fe{sup 3+} ions at the octahedral and/or the tetrahedral sites with magnetic or diamagnetic ions, and/or by substitution the Y{sup 3+} ions at the dodecahedral sites with magnetic rare earth ions. It has been known for some time that Moessbauer spectroscopy is a powerful method by which iron-containing garnets can be studied. We report here on the synthesis of the compounds with garnet-related structures of composition Y{sub 3}Fe{sub 4.5}Cr{sub 0.5}O{sub 12} and its examination by {sup 57}Fe Moessbauer spectroscopy. The chromium in compounds of the Y{sub 3}Fe{sub 4.5}Cr{sub 0.5}O{sub 12} is distributed at an octahedral site. The Moessbauer spectra can be analyzed using 3 or 4 sets of six Lorentzians with increasing amount of Cr{sup 3+} compounds in this system. It results from the distribution ({sub 4}C{sub n}) of Fe{sup 3+} and Cr{sup 3+} at an octahedral site. A comparative study of ferrous tablets of Dynabi was carried out using Moessbauer spectroscopy. The obtained results revealed the presence of ferrous (Fe{sup 2+}) gluconate and ferrous fumarate in a sample. This observation is important to better control the iron state in such medicaments because their pharmaceutical effect in the body is related to the form and valence of iron. The Cr-containing yttrium iron garnet (YIG), and the exchange interactions and site distributions were studied using {sup 57}Fe Moessbauer spectroscopy. The obtained results revealed the presence of ferrous (Fe{sup 2+}) gluconate and ferrous fumarate in the sample. This observation is important better control the iron state in such medicaments because their pharmaceutical effect in the body is related to the form and valence of iron.

  9. Moessbauer study of iron-carbide growth and Fischer-Tropsch activity

    Energy Technology Data Exchange (ETDEWEB)

    Rao, K.R.P.M.; Huggins, F.E.; Huffman, G.P. [Univ. of Kentucky, Lexington, (United States)] [and others

    1995-12-31

    There is a need to establish a correlation between the Fischer-Tropsch (FT) activity of an iron-based catalyst and the catalyst phase during FT synthesis. The nature of iron phases formed during activation and FT synthesis is influenced by the nature of the gas and pressure apart from other parameters like temperature, flow rate etc., used for activation. Moessbauer investigations of iron-based catalysts subjected to pretreatment at two different pressures in gas atmospheres containing mixtures of CO, H{sub 2}, and He have been carried out. Studies on UCI 1185-57 (64%Fe{sub 2}O{sub 3}/5%CuO/1%K{sub 2}O/30% Kaolin) catalyst indicate that activation of the catalyst in CO at 12 atms. leads to the formation of 100% magnetite and the magnetite formed gets rapidly converted to at least 90% of {chi}-Fe{sub 5}C{sub 2} during activation. The FT activity was found to be good at 70-80% of (H{sub 2}+CO) conversion. On the other hand, activation. The FT activity was found to be good at 70-80% of (H{sub 2}+CO) conversion. On the other hand, activation of the catalyst in synthesis gas at 12 atms. leads to formation of Fe{sub 3}O{sub 4} and it gets sluggishly converted to {chi}-Fe{sub 5}C{sub 2} and {epsilon}-Fe{sub 2.2}C during activation and both continue to grow slowly during FT synthesis. FT activity is found to be poor. Pretreatment of the catalyst, 100fe/3.6Si/0.71K at a low pressure of 1 atms. in syngas gave rise to the formation of {chi}-Fe{sub 5}C{sub 2} and good FT activity. On the other hand, pretreatment of the catalyst, 100Fe/3.6Si/0.71K at a relatively high pressure of 12 atms. in syngas did not give rise to the formation any carbide and FT activity was poor.

  10. Performance studies on high pressure 1-D position sensitive ...

    Indian Academy of Sciences (India)

    Performance studies on high pressure 1-D position sensitive neutron detectors. S S DESAI and A M SHAIKH∗. Solid State Physics Division, Bhabha Atomic Research Centre, Mumbai 400 085, India. *Corresponding author. E-mail: shaikham@barc.gov.in. Abstract. The powder diffractometer and Hi-Q diffractometer at ...

  11. 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

  12. {sup 57}Fe Moessbauer spectroscopy and x-ray diffraction study of some complex metamict minerals

    Energy Technology Data Exchange (ETDEWEB)

    Malczewski, Dariusz, E-mail: malczews@us.edu.pl [University of Silesia, Faculty of Earth Sciences (Poland); Frackowiak, Janusz E., E-mail: jfrack@us.edu.pl [University of Silesia, Faculty of Computer and Materials Science (Poland); Galuskin, Evgeny V., E-mail: galuskin@us.edu.pl [University of Silesia, Faculty of Earth Sciences (Poland)

    2005-11-15

    Metamict minerals are a class of natural amorphous materials which were initially crystalline but self-radiation damage mainly from alpha decays of {sup 238}U and {sup 232}Th series inside the structure can produce partially or fully amorphization (metamictization) of these minerals. This paper reports the results of {sup 57}Fe Moessbauer spectroscopy, gamma-ray spectrometry and X-ray diffraction (XRD) study of some complex metamict minerals like: davidite-(La), gadolinite, steenstrupine-(Ce), vesuvianite and comparatively epidote. The absorbed {alpha}-dose for these minerals varies in wide range from 1.9 x 10{sup 14} {alpha}-decay/mg (epidote) to as high as 2.7 x 10{sup 16} {alpha}-decay/mg (steenstrupine). The Moessbauer spectra show decreasing IS values (except steenstrupine) for Fe{sup 2+} components with absorbed {alpha}-dose. Rather unexpected feature of these spectra is a noticeable decrease of the spectral line widths with increasing absorbed {alpha}-dose both Fe{sup 2+} and Fe{sup 3+} components in gadolinite, davidite and steenstrupine.

  13. Moessbauer Studies of Static and Dynamic Critical Behavior.

    Science.gov (United States)

    Chowdhury, Ataur Rahman

    Two separate studies were made on two distinct problems in the area of critical phenomena in Heisenberg ferromagnets by Mossbauer effect. The first study involves static critical behavior of a Heisenberg ferromagnet, Fe, randomly disordered by non-magnetic Al impurities. For the theoretical model best representing this system, the random exchange model, it is expected that the static critical exponents remain unchanged with addition of impurity. In order to test this prediction Mossbauer measurements were made to determine the critical exponent (beta). It is found that (beta) remains unchanged with addition of disorder, in agreement with the theoretical prediction. By inclusion of correction to scaling terms in the data analysis, a mean value of (beta) = 0.366(2) is found for five measurements on pure Fe and FeAl alloys. This value is in excellent agreement with the renormalization group prediction (beta) = 0.364(2). The second study concerns the dynamic critical behavior of Gd. The q-averaged atomic spin auto-correlation time, (tau)(,c) was measured from the excess broadening, (DELTA)(GAMMA) of the Mossbauer linewidth of ('161)Dy just above T(,c). On the assumption that the spin fluctuations are isotropic and describable by dynamic scaling theory, (DELTA)(GAMMA) is directly proportional to (tau)(,c) and is expressable as a power law, (DELTA)(GAMMA) = Dt('-w), in an exponent w = (nu)(z-1-(eta)), related to the static exponents (nu) and (eta) and the dynamic exponent z. Theory predicts for Heisenberg ferro- magnets that z = 2.5 (2.0) for spin conserved (non-conserved) order parameter. From measurements in the range 3 x 10('-4) < (T - T(,c))/T(,c) < 3 x 10('-2) we deduced 1.30 < z < 1.52. This anomalous value is much lower than any current theoretical predictions.

  14. Muon spin relaxation and Moessbauer studies of iron pnictide superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Klauss, Hans-Henning; Maeter, H.; Dellmann, T. [Technische Universitaet, Dresden (Germany); Luetkens, H.; Khasanov, R.; Amato, A. [PSI, Villigen (Switzerland); Pashkevich, Y. [Donetsk Phystech, NASU (Ukraine); Hess, C.; Klingeler, R.; Buechner, B. [IFW, Dresden (Germany); Leithe-Jasper, A.; Rosner, H.; Geibel, C.; Schnelle, W. [MPI-CPfS, Dresden (Germany); Braden, M. [Universitaet Koeln (Germany); Litterst, J. [Technische Universitaet, Braunschweig (Germany)

    2010-07-01

    We have determined the electronic phase diagrams and order parameters of ReO{sub 1-x}F{sub x}FeAs and (Sr,Eu)Fe{sub 2-x}Co{sub x}As{sub 2} superconductors. The results prove an important role of the structural distortion for the SDW magnetism and reveal two gap multiband superconductivity. We examined the interplay of iron and rare earth magnetic order in ReO{sub 1-x}F{sub x}FeAs. The undoped compounds show different magnetic coupling strength of the rare earth ion to the antiferromagnetic iron layers ranging from independent order to strong polarization of the rare earth moments by the ordered iron. Finally, we present recent studies on (Ca,Sr,Ba,Eu)Fe{sub 2}As{sub 2} and (Fe{sub 2}As{sub 2})(Sr{sub 4}T{sub 2}O{sub 6})based pnictide superconductors.

  15. 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.

  16. Pulsed laser kinetic studies of liquids under high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Eyring, E.M.

    1991-11-25

    A high pressure apparatus constructed for measuring the rates of reactions in liquids under pressures ranging from 1 atm to 2000 atm has been used to measure the complexation kinetics of molybdenum hexacarbonyl reacting with 2,2-bipyridine, 4,4{prime}-dimethyl-2-2{prime}-bipyridine and 4,4{prime}-diphenyl-2-2{prime} bipyridine in toluene. Pentacarbonyl reaction intermediates are created by a 10 nsec flash of frequency tripled Nd:YAG laser light. Measured activation volumes for chelate ligand ring closure indicate a change in mechanism from associative interchange to dissociative interchange as steric hindrance increases. A similar high pressure kinetics study of molybdenum carbonyl complexation by several substituted phenanthrolines is now well advanced that indicates that with the more rigid phenanthroline ligands steric effects from bulky substituents have less effect on the ring closure mechanism than in the case of the bipyridine ligands. An experimental concentration dependence of the fluorescence quantum yield of cresyl violet has been harmonized with previously published contradictory reports. Fluorescence of cresyl violet in various solvents and in micellar systems has also been systematically explored.

  17. Microbial Evolution at High Pressure: Deep Sea and Laboratory Studies

    Science.gov (United States)

    Bartlett, D. H.

    2011-12-01

    Elevated hydrostatic pressures are present in deep-sea and deep-Earth environments where this physical parameter has influenced the evolution and characteristics of life. Piezophilic (high-pressure-adapted) microbes have been isolated from diverse deep-sea settings, and would appear likely to occur in deep-subsurface habitats as well. In order to discern the factors enabling life at high pressure my research group has explored these adaptations at various levels, most recently including molecular analyses of deep-sea trench communities, and through the selective evolution of the model microbe Escherichia coli in the laboratory to progressively higher pressures. Much of the field work has focused on the microbes present in the deeper portions of the Puerto Rico Trench (PRT)and in the Peru-Chile Trench (PCT), from 6-8.5 km below the sea surface (~60-85 megapascals pressure). Culture-independent phylogenetic data on the Bacteria and Archaea present on particles or free-living, along with data on the microeukarya present was complemented with genomic analyses and the isolation and characterization of microbes in culture. Metagenomic analyses of the PRT revealed increased genome sizes and an overrepresentation at depth of sulfatases for the breakdown of sulfated polysaccharides and specific categories of transporters, including those associated with the transport of diverse cations or carboxylate ions, or associated with heavy metal resistance. Single-cell genomic studies revealed several linneages which recruited to the PRT metagenome far better than existing marine microbial genome sequences. analyses. Novel high pressure culture approaches have yielded new piezophiles including species preferring very low nutrient levels, those living off of hydrocarbons, and those adapted to various electron donor/electron acceptor combinations. In order to more specifically focus on functions enabling life at increased pressure selective evolution experiments were performed with

  18. 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...

  19. Moessbauer study of modified iron-molybdenum catalysts for methanol oxidation

    Energy Technology Data Exchange (ETDEWEB)

    Ivanov, K I; Krustev, St V [Agricultural University, Department of Chemistry, 12 Mendeleev St., 4000 Plovdiv (Bulgaria); Mitov, I G [Institute of Catalysis, Bulgarian Academy of Science, 1113 Sofia (Bulgaria); Boyanov, B S, E-mail: kivanov1@abv.b [Plovdiv University ' Paisii Hilendarski' , 24 Tsar Assen St., 4000 Plovdiv (Bulgaria)

    2010-03-01

    The preparation and catalytic properties of mixed Fe-Mo-W catalysts toward methanol oxidation are investigated. Moessbauer spectroscopy, X-ray diffraction and chemical studies revealed the formation of two types of solid solutions with compositions Fe{sub 2}(Mo{sub x}W{sub 1-x}O{sub 4}){sub 3} and (Mo{sub x}W{sub 1-x})O{sub 3}. The solid solutions formed are characterized by high activity and selectivity upon methanol oxidation and are of interest in view of their practical application. Sodium-doped iron-molybdenum catalysts are also investigated and the NaFe(MoO{sub 4}){sub 2} formation was established.

  20. Study on the Radial Diffuser of Multistage High Pressure Pump

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Deok Su; Mamatov, Sanjar [Hyosung goodsprings inc, Seoul (Korea, Republic of); Park, Warn Gyu [Pusan Nat’l Univ., Busan (Korea, Republic of)

    2016-11-15

    In this study, a high-pressure multistage pump used in the combined cycle power plants is analyzed. The pump performance characteristics (differential head and efficiency) are numerically analyzed for different shapes of the radial diffuser. The design variables selected for the radial diffuser are, number of vanes, diameter ratio (D{sub 4}/D{sub 3}), return channel outlet angle(α{sub 6}), and pressure recovery factor (C{sub p}). The numerical analysis results showed that the differential head and efficiency are the highest when the diameter ratio is the highest. Further, it was observed that the differential head was lower when the return channel outlet angle was 60° than when it was 90°, because of pre-swirl at the diffuser outlet.

  1. Moessbauer study of mixed crystalline (Eu sub 2 O sub 3) sub x (Fe sub 2 O sub 3) sub 1 sub - sub x (x=0.45)

    CERN Document Server

    Kim, J G; Kim, Y H; Kim, E C

    1998-01-01

    The crystallography and the temperature dependence of the Moessbauer parameters of mixed crystalline (Eu sub 2 O sub 3) sub x (Fe sub 2 O sub 3) sub 1 sub - sub x (x=0.45) were studied by the method of X-ray diffraction at room temperature and Moessbauer spectroscopy within the temperature range from liquid nitrogen temperature to 540 K. The X-ray diffraction pattern of the sample showed the coexistence of cubic and orthorhombic crystal phases. The Moessbauer spectrum of 540 K indicated a crystal phase which was in good agreement with the X-ray result and gave no indication, within the experimental error, of any other crystal phases. By analyzing the temperature dependence of the Moessbauer parameters by using the spin-wave theory and the Debye model, useful result were obtained for examining the changes in the physical properties in mixed crystalline system.

  2. Pulsed laser kinetic studies of liquids under high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Eyring, E.M.

    1993-06-21

    Experiments have been developed for measuring the rates of chemical reactions liquids and in supercritical Co[sub 2]. A pulsed (Q-switch) Nd:YAG laser at 355 nm was the pump beam for laser flash photolysis studies of molybdenum and tungsten hexacarbonyls undergoing ligand displacement reactions by bidentate chelating agents such as 2,2[prime]-bipyridine in toluene. Experiments were carried out at 0.1 to 150 MPa. In the case of molybdenum complexes, the reaction mechanism for thermal ring closure is found from activation volumes to change from associative interchange to dissociative interchange as substituents on the 2,2[prime]-bipyridine ligands become bulkier. In a similar study of more rigid, substituted phenanthroline bidentate ligands it was found that substituent bulkiness had little effect on the thermal ring closure mechanism. Similar high pressure flash photolysis experiments with tungsten hexacarbonyl have also been completed. The concentration dependence of the fluorescence and nonradiative decay quantum yields for cresyl violet in several solvent have been reported as well as stability constants for the complexation of lithium ion by four different crown ethers dissolved in a room temperature molten salt.

  3. 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}).

  4. High-pressure studies of cycloheptane up to 30 GPa

    Science.gov (United States)

    Ma, Chunli; Cui, Qiliang; Liu, Zhenxian

    2013-06-01

    High-pressure synchrotron angle dispersive x-ray diffraction, Raman scattering and infrared absorption studies have been performed on cycloheptane (C7H14) up to 30 GPa at room temperature by using diamond anvil cell techniques. The synchrotron x-ray diffraction results indicate that the liquid cyclopentane undergoes two phase transitions at around 0.5 and 1.0 GPa, respectively. Then, it gradually turns into glass state starting from 3.0 GPa. The features of the Raman scattering and infrared absorption show no significant changes with increasing pressure below 3 GPa. This implies that the two phases observed by the x-ray diffraction can be attributed to plastic phases in which the cycloheptane molecules are held in an ordered structure while the molecular orientation is disordered. Up on further compression, all Raman and infrared bands begin broadening around 3.0 GPa that provide further evidence on the transition to glass state. Our results also suggest different paths on phase transitions under isothermal compression at room temperature compare to that previously reported under isobaric cooling at ambient pressure. This work was supported by the NSF of China (91014004, 11004074,11074089), the specialized Research Fund for the Doctoral Program of Higher Education (20110061110011, 20100061120093), and the National Basic Research Program of China (2011CB808200).

  5. Raman Studies of Vanadates at Low Temperatures and High Pressures

    NARCIS (Netherlands)

    Siranidi, E.; Lampakis, D.; Palles, D.; Liarokapis, E.; Colin, C.; Palstra, T. T. M.

    The spin and orbital ordering have been examined for high-quality SmVO(3) polycrystalline compound using Raman spectroscopy. Measurements were obtained on individual microcrystallites in the approximate y(zz)y and y(xx)y scattering configurations at low temperatures (down to 20 K) and high pressures

  6. Moessbauer and Electron Microprobe Studies of Density Separates of Martian Nakhlite Mil03346: Implications for Interpretation of Moessbauer Spectra Acquired by the Mars Exploration Rovers

    Science.gov (United States)

    Morris, R. V.; McKay, G. A.; Agresti, D. G.; Li, Loan

    2008-01-01

    Martian meteorite MIL03346 is described as an augite-rich cumulate rock with approx.80%, approx.3%, and approx.21% modal phase proportions of augite (CPX), olivine and glassy mesostasis, respectively, and is classified as a nakhlite [1]. The Mossbauer spectrum for whole rock (WR) MIL 03346 is unusual for Martian meteorites in that it has a distinct magnetite subspectrum (7% subspectral area) [2]. The meteorite also has products of pre-terrestrial aqueous alteration ("iddingsite") that is associated primarily with the basaltic glass and olivine. The Mossbauer spectrometers on the Mars Exploration Rovers have measured the Fe oxidation state and the Fe mineralogical composition of rocks and soils on the planet s surface since their landing in Gusev Crater and Meridiani Planum in January, 2004 [3,4]. The MIL 03346 meteorite provides an opportunity to "ground truth" or refine Fe phase identifications. This is particularly the case for the so-called "nanophase ferric oxide" (npOx) component. NpOx is a generic name for a ferric rich product of oxidative alteration. On Earth, where we can take samples apart and study individual phases, examples of npOx include ferrihydrite, schwertmannite, akagaaneite, and superparamagnetic (small particle) goethite and hematite. It is also possible for ferric iron to be associated to some unknown extent with igneous phases like pyroxene. We report here an electron microprobe (EMPA) and Moessbauer (MB) study of density separates of MIL 03346. The same separates were used for isotopic studies by [5]. Experimental techniques are described by [6,7].

  7. Synthesis, structure, and high temperature Moessbauer and Raman spectroscopy studies of Ba{sub 1.6}Sr{sub 1.4}Fe{sub 2}WO{sub 9} double perovskite

    Energy Technology Data Exchange (ETDEWEB)

    Manoun, B., E-mail: manounb@gmail.co [Laboratoire de Physico-Chimie des Materiaux, Departement de Chimie, FST Errachidia (Morocco); Equipe Materiaux et environnement, laboratoire des Procedes de Valorisation des Ressources Naturelles, des Materiaux et Environnement, FST Settat (Morocco); Benmokhtar, S. [Laboratoire de chimie des Materiaux Solides (LCMS), Departement de Chimie, Faculte des Sciences Ben M' Sik Casablanca (Morocco); Bih, L.; Azrour, M. [Laboratoire de Physico-Chimie des Materiaux, Departement de Chimie, FST Errachidia (Morocco); Ezzahi, A.; Ider, A. [Equipe Materiaux et environnement, laboratoire des Procedes de Valorisation des Ressources Naturelles, des Materiaux et Environnement, FST Settat (Morocco); Azdouz, M. [Laboratoire de Physico-Chimie des Materiaux, Departement de Chimie, FST Errachidia (Morocco); Annersten, H.; Lazor, P. [Department of Earth Sciences, Uppsala University, S-752 36 Uppsala (Morocco)

    2011-01-05

    Research highlights: {yields} Synthesis and characterization of new double perovskites, apatites, orthophosphates and orthovanadates. {yields} High pressure and high temperature studies of double perovskite, orthophosphates, orthovanadates and MAX phases, using XRD, synchrotron radiations, Raman spectroscopy, magnetism, Moessbauer. {yields} Pressure, temperature and compositions induced phase transitions in these materials. {yields} Structural determination/refinement of these compounds as a function of temperature, pressure and composition. - Abstract: Ba{sub 1.6}Sr{sub 1.4}Fe{sub 2}WO{sub 9} has been prepared in polycrystalline form by solid-state reaction method in air, and has been studied by X-ray powder diffraction method (XRPD), and high temperature Moessbauer and Raman spectroscopies. The crystal structure was resolved at room temperature by the Rietveld refinement method, and revealed that Ba{sub 1.6}Sr{sub 1.4}Fe{sub 2}WO{sub 9} crystallizes in a tetragonal system, space group I4/m, with a = b = 5.6489(10)A, c = 7.9833(2)A and adopts a double perovskite-type A{sub 3}B'{sub 2}B''O{sub 9} (A = Ba, Sr; B' = Fe/W, and B'' = Fe/W) structure described by the crystallographic formula (Ba{sub 1.07}Sr{sub 0.93}){sub 4d}(Fe{sub 0.744}W{sub 0.256}){sub 2a}(Fe{sub 0.585}W{sub 0.415}){sub 2b}O{sub 6}. The structure contains alternating [(Fe/W){sub 2a}O{sub 6}] and [(Fe/W){sub 2b}O{sub 6}] octahedra. Moessbauer studies reveal the presence of iron in the 3+ oxidation state. The high temperature Moessbauer measurements showed a magnetic to paramagnetic transition around 405 {+-} 10 K. The transition is gradual over the temperature interval. The decrease in isomer shift is in line with the general temperature dependence. While the isomer shift is rather linear over the whole temperature range, the quadratic dipolar {Delta}E temperature dependence shows an abrupt change at 405 K. The latter results allow concluding that a temperature

  8. A Moessbauer spectroscopy and magnetometry study of magnetic multilayers and oxides

    CERN Document Server

    Bland, J

    2002-01-01

    A study of the magnetic properties of thin films, multilayers and oxides has been performed using Moessbauer spectroscopy and SQUID magnetometry. The systems studied are DyFe sub 2 , HoFe sub 2 and YFe sub 2 cubic Laves Phase thin films, DyFe sub 2 /Dy and DyFe sub 2 /YFe sub 2 multilayers; Ce/Fe and U/Fe multilayers; and iron oxide powders and thin films. CEMS results at room temperature show a low symmetry magnetic easy axis for all of the Laves Phase samples studied. Analysis of the dipolar and contact hyperfine fields show that this axis is close to the [2-bar41] and [3-bar51] directions but cannot be fully determined. The spin moments lie out of plane in all samples by approximately 22 deg, indicating a significant magneto-elastic anisotropy. 2.5 kG inplane applied field measurements indicate a much larger magnitude of magnetocrystalline anisotropy in the DyFe sub 2 system than in the YFe sub 2 system. In the DyFe sub 2 /YFe sub 2 multilayer samples the anisotropy is dominated by the dysprosium single-io...

  9. Moessbauer spectroscopic studies on ultra fine powders of NiZn-ferrite

    Energy Technology Data Exchange (ETDEWEB)

    Michalk, C.; Knese, K. (Leipzig Univ. (Germany, F.R.). Sektion Physik); Fischer, S.; Toepelmann, W.; Scheler, H. (Technische Univ. Dresden (Germany, F.R.). Sektion Chemie)

    1991-01-01

    Mixed ferrite Ni{sub x}Zn{sub 1-x}Fe{sub 2}O{sub 4} was precipitated from a solution containing Ni{sup 2+}, Zn{sup 2+} and Fe{sup 3+} ions in the molecular ratio of 1:1:4. The different aged samples were investigated by X-ray diffractometry and Moessbauer spectroscopy. The substance which was not aged contains {beta}-FeOOH and strongly distorted NiZn ferrite. Ageing leads to the formation of spinel structure. Moessbauer spectra of the aged samples exhibit a typical relaxation shape, which can be explained by occuring of small clusters possessing complete spinel structure. (orig.).

  10. Moessbauer and magnetic studies of parent material from argentine pampas soils

    Energy Technology Data Exchange (ETDEWEB)

    Bidegain, J. C. [Laboratorio de Entrenamiento Multidisciplinario para la Investigacion Tecnologica (Argentina); Bartel, A. A. [Universidad Nacional de La Pampa, Facultad de Ciencias Exactas y Naturales (Argentina); Sives, F. R.; Mercader, R. C., E-mail: mercader@fisica.unlp.edu.ar [Universidad Nacional de La Plata, Departamento de Fisica, Facultad de Ciencias Exactas (Argentina)

    2007-02-15

    In order to establish a correlation between the different types of soils using hyperfine and magnetic parameters as climatic and environmental proxies, we have studied the differentiation of soil developed around 38.5{sup o} south latitude, in the central Pampas of Argentina, by means of Moessbauer spectroscopy and environmental magnetism. The soils transect (climosequence) investigated stretches from the drier west (around 64{sup o} W) to the more humid east (at around 59{sup o} W) in the Buenos Aires Province, covering a distance of 600 km. The soils studied developed during recent Holocene geologic times in a landscape characterized by small relict plateaus, slopes and depressions, dunes and prairies. The parent material consists of eolian sandy silts overlying calcrete layers. The low mean annual precipitation in the western parts of the region gives rise to soils without B-horizons, which limits the agricultural use of land. The preliminary results show an increase of the paramagnetic Fe{sup 3+} relative concentration from west to east in the soils investigated. Magnetite is probably mainly responsible for the observed enhancement in the susceptibility values. The magnetic response of the parent material is similar to that of the loess part of the previously investigated loess-paleosol sequences of the Argentine loess plateau.

  11. 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.

  12. System Study: High-Pressure Coolant 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 coolant injection system (HPCI) at 25 U.S. commercial boiling water reactors. 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 HPCI results.

  13. System Study: High-Pressure Safety Injection 1998–2013

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-02-01

    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 2013 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.

  14. System Study: High-Pressure Safety Injection 1998–2012

    Energy Technology Data Exchange (ETDEWEB)

    T. E. Wierman

    2013-10-01

    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 2012 for selected components were obtained from the Equipment Performance and Information Exchange (EPIX). 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.

  15. System Study: High-Pressure Core Spray 1998–2013

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-01-31

    This report presents an unreliability evaluation of the high-pressure core spray (HPCS) at eight U.S. commercial boiling water reactors. Demand, run hours, and failure data from fiscal year 1998 through 2013 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 HPCS results.

  16. System Study: High-Pressure Coolant Injection 1998–2013

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-01-31

    This report presents an unreliability evaluation of the high-pressure coolant injection system (HPCI) at 25 U.S. commercial boiling water reactors. Demand, run hours, and failure data from fiscal year 1998 through 2013 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 HPCI results.

  17. High-pressure Brillouin study on methane hydrate

    CERN Document Server

    Sasaki, S; Suwa, I; Kume, T; Shimizu, H

    2002-01-01

    Acoustic velocities and adiabatic elastic constants of structure I of methane hydrate (MH) have been determined as a function of pressure up to 0.6 GPa at 23 deg. C by the high-pressure Brillouin spectroscopy developed for a single molecular crystal. The pressure dependence of the acoustic velocities of MH is very similar to that of ice-Ih except for the longitudinal acoustic (LA) velocity. The value of the LA velocity along the (100) direction of MH at 0.02 GPa is 3.63 km s sup - sup 1 which is about 7% lower than the average of the LA velocities in the ice-Ih phase at -35.5 deg. C and atmospheric pressure.

  18. Moessbauer study of glasses in meteorites: the D'Orbigny angrite and Cachari eucrite

    Energy Technology Data Exchange (ETDEWEB)

    Abdu, Y. A.; Souza Azevedo, I. [Centro Brasileiro de Pesquisas Fisicas (Brazil); Stewart, S. J. [Universidad Nacional de La Plata, IFLP, CONICET, Depto. De Fisica, Facultad de Cs. Exactas (Argentina); Lopez, A. [Centro Brasileiro de Pesquisas Fisicas (Brazil); Varela, M. E. [CONICET-UNS, Depto. de Geologia (Argentina); Kurat, G. [Naturhistorisches Museum (Austria); Scorzelli, R. B., E-mail: scorza@cbpf.br [Centro Brasileiro de Pesquisas Fisicas (Brazil)

    2005-11-15

    Moessbauer spectroscopy measurements at room temperature (RT) and at liquid helium temperature (4.2 K) were carried out on bulk and glass samples from the D'Orbigny (angrite) and Cachari (eucrite) meteorites. The RT Moessbauer spectrum of the bulk sample of D'Orbigny shows the presence of Fe{sup 2+} in olivine and pyroxene and that of bulk Cachari contains only pyroxene. Very small amounts of Fe{sup 3+} are also present in the bulk samples, but are attributed to surface contamination. The RT spectra of the D'Orbigny and Cachari glasses are fitted with three doublets, which are assigned to Fe{sup 2+} at three different octahedral positions. No Fe{sup 3+} was detected in the glass samples. The spectra of the glasses measured at 4.2 K show the presence of relaxation effects. The results suggest a certain degree of structural ordering in these glasses.

  19. Moessbauer study of C18N/Fe Langmuir-Blodgett layers

    Energy Technology Data Exchange (ETDEWEB)

    Kuzmann, Erno [Institute of Chemistry, Eoetvoes Lorand University (Hungary); Telegdi, Judit [Institute of Nanochemistry and Catalysis, Chemical Research Center, HAS (Hungary); Nemeth, Zoltan, E-mail: hentes@chem.elte.hu; Vertes, Attila [Institute of Chemistry, Eoetvoes Lorand University (Hungary); Nyikos, Lajos [Institute of Nanochemistry and Catalysis, Chemical Research Center, HAS (Hungary)

    2012-03-15

    Langmuir-Blodgett (LB) films of octadecanoyl hydroxamic acid (C18N) complexed with Fe{sup 3 + } ions have been prepared at various subphase pH values. The LB films consisting of different number of layers were investigated by {sup 57}Fe conversion electron Moessbauer spectroscopy (CEM) at room temperature. The CEM detector contained a piece of {alpha}-iron, enriched with {sup 57}Fe, using as an internal standard. The Moessbauer pattern of the C18N/Fe LB films is a doublet with parameters {delta} = 0.35 mm/s and {Delta} = 0.74 mm/s. A gradual increase of the relative occurrence of the doublet compared to the sextet of the internal standard was observed with the increasing number of layers, indicating the nearly uniform distribution of Fe among the LB layers.

  20. High-pressure optical spectroscopy study of natural siderite

    Science.gov (United States)

    Taran, Michail N.; Müller, Jan; Friedrich, Alexandra; Koch-Müller, Monika

    2017-09-01

    Optical absorption spectra of siderite were taken across the high-spin (HS)-to-low-spin (LS) transition up to a pressure of 70 GPa in the spectral range between 28,500 and 10,000 cm-1. Up to a pressure of 44.5 GPa, a pair of two overlapping broad bands was observed that are caused by the electronic spin-allowed 5 T 2g → 5 E g transition of the octahedrally coordinated Fe2+. Furthermore, eight spin-forbidden bands are observable at high pressures up to 44.5 GPa, but they are gradually overlapped by the increasing high-energy absorption edge to be tracked down over the whole pressure range. Due to the HS-to-LS-spin-state transition of Fe2+ between 44.5 and 47.6 GPa, a new broad intense absorption band appears on the steep background of the edge, which is assigned to the electronic spin-allowed 1 A 1g → 1 T 1g transition of octahedral Fe2+ in LS configuration. We estimated a mean octahedral module K_{oct}^{spectr} of Fe2+ in the LS state for pressure range 47.6-65.5 GPa as 263 (17) GPa. Especially, a strong intensification of the spin-allowed and spin-forbidden bands with increasing pressure is observed in the HS state. This is assumed to be caused by the borrowing of intensity from the UV absorption bands, which are allowed by the Laporte selection rule and are caused by electronic ligand-to-metal charge-transfer transitions.

  1. Neutron in-beam Moessbauer spectroscopic study of iron disulfide at room temperature

    Energy Technology Data Exchange (ETDEWEB)

    Kubo, M. K. [International Christian University, College of Liberal Arts (Japan); Kobayashi, Y., E-mail: kyoshio@riken.jp [RIKEN (Japan); Nonaka, H.; Yamada, Y. [Science University of Tokyo, Department of Chemistry (Japan); Sakai, Y. [Daido Institute of Technology (Japan); Shoji, H. [Tokyo Metropolitan University, Graduate School of Science (Japan); Matsue, H. [Japan Atomic Energy Research Institute (Japan)

    2005-11-15

    An in-beam emission Moessbauer spectrum of {sup 57}Fe arising from the {sup 56}Fe(n, {gamma}) {sup 57}Fe reaction in iron disulfide at room temperature was measured with a parallel plate avalanche counter. It was clearly observed that the nuclear reaction and the following process lead to the production of a new chemical species of iron different from the parent compound.

  2. 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,...

  3. Moessbauer studies of raw materials from Misti volcano of Arequipa (Peru) for its potential application in the ceramic field

    Energy Technology Data Exchange (ETDEWEB)

    Bustamante, Angel, E-mail: angelbd1@gmail.com [Universidad Nacional Mayor de San Marcos (Peru); Capel, Francisco; Barba, Flora, E-mail: flora@icv.csic.es; Callejas, Pio [Consejo Superior de investigaciones Cientificas (CSIC), Instituto de Ceramica y Vidrio (Spain); Guzman, Rivalino [Universidad Nacional de San Agustin de Arequipa (Peru); Trujillo, Alejandro [Universidad Nacional Mayor de San Marcos (Peru)

    2009-04-15

    We would like to introduce, the study of two different colour 'sillar' samples: white and pink, belonging to the Anashuayco quarry in the Arequipa Region (Peru). The X-ray diffraction (XRD) analysis indicates the presence of several mineralogical phases, such as feldpars and biotite for the both white and pink 'sillar' whereas cristobalite and quartz are detected only in the first sample and amorphous phase in the second one. In room temperature, Moessbauer spectroscopy, the presence of hematite ({alpha}-Fe{sub 2}O{sub 3}) was detected as the main phase for both samples, this was not detected in the XRD measurements. Moreover, corresponding doublets in the Moessbauer spectra indicate the presence of iron in the aluminium-silicate minerals. The rates Fe{sup 2+}/Fe{sup 3+} are 0.0752 and 0.0526 to the white and pink samples respectively. The minerals composing the white tuff form a heterogeneous aggregate of uniform aspect. Mining of these materials generates a great amount of waste in the form of lumps of varying size and which are raw materials studied in the present work for potential application in the ceramic field.

  4. Carrier mobility of iron oxide nanoparticles supported on ferroelectrics studied by Moessbauer spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Okamoto, T., E-mail: TAKUMI_OKAMOTO@denso.co.jp [DENSO Corporation (Japan); Kano, J. [Okayama University, Graduate School of Natural Science and Technology (Japan); Nakamura, S. [Teikyo University, Department of Science and Engineering (Japan); Fuwa, A. [Waseda University, Faculty of Science and Engineering (Japan); Otoyama, T.; Nakazaki, Y. [Nano Cube Japan Co., Ltd. (Japan); Hashimoto, H.; Takada, J. [Okayama University, Graduate School of Natural Science and Technology (Japan); Ito, M. [DENSO Corporation (Japan); Ikeda, N. [Okayama University, Graduate School of Natural Science and Technology (Japan)

    2013-04-15

    {sup 57}Fe Moessbauer spectroscopy was performed on two types of Fe oxide nanoparticles supported on a typical ferroelectric, BaTiO3. It was found that the valence state of FeO nanoparticles changed to a mixed 2+/3+ state at high temperature where BaTiO{sub 3} shows paraelectric behaviour. We attribute this phenomenon to the fluctuation of electric dipoles which realizes carrier injection into the Fe oxides. This is the first report which discusses a dynamical valence state of transition metal oxides supported on ferroelectrics.

  5. Moessbauer studies of frataxin role in iron-sulfur cluster assembly and dysfunction-related disease

    Energy Technology Data Exchange (ETDEWEB)

    Garcia-Serres, Ricardo [Universite Joseph Fourier (France); Clemancey, Martin [CNRS, UMR5249 (France); Oddou, Jean-Louis [Universite Joseph Fourier (France); Pastore, Annalisa [Medical Research Council National Institute for Medical Research (United Kingdom); Lesuisse, Emmanuel [Laboratoire Mitochondries, Metaux et Stress oxydant, Institut Jacques Monod, CNRS-Universite Paris (France); Latour, Jean-Marc, E-mail: jean-marc.latour@cea.fr [CEA, iRTSV, LCBM (France)

    2012-03-15

    Friedreich ataxia is a disease that is associated with defects in the gene coding for a small protein frataxin. Several different roles have been proposed for the protein, including iron chaperoning and iron storage. Moessbauer spectroscopy was used to probe these hypotheses. Iron accumulation in mutant mitochondria unable to assemble iron sulfur clusters proved to be insensitive to overexpression of frataxin, ruling out its potential involvement as an iron storage protein similar to ferritin. Rather, it was found that frataxin negatively regulates iron sulfur cluster assembly.

  6. Moessbauer studies of Dy/sub 2/Fesub(17-y)Alsub(y) hydrides

    Energy Technology Data Exchange (ETDEWEB)

    Zukrowski, J.; Barnasik, A.; Krop, K.; Radwanski, R.; Pszczola, J. (Akademia Gorniczo-Hutnicza, Krakow (Poland)); Suwalski, J.; Kucharski, Z.; Lukasiak, M. (Solid State Physics Department, IBJ, Swierk, Poland)

    1983-12-01

    The X-ray and Moessbauer measurements of both /sup 57/Fe and /sup 161/Dy in Dy/sub 2/Fesub(17-y)Alsub(y) (y = 0, 1.5 and 3) compounds and their hydrides are reported. Hydrogenation slightly increases the lattice parameters. An appreciable increase of the isomer shift and the hyperfine field at /sup 57/Fe nuclei is observed after hydrogenation. The hyperfine field for both the parent compound and its hydride decreases with increasing Al content across the series. Only a small variation of the hyperfine field at /sup 161/Dy nuclei is noticeable after hydrogenation.

  7. Reduction of amorphous Fe(III)-hydroxide by binary microbial culture, a Moessbauer study

    Energy Technology Data Exchange (ETDEWEB)

    Chistyakova, N. I., E-mail: nchistyakova@yandex.ru; Rusakov, V. S.; Shapkin, A. A. [M.V. Lomonosov Moscow State University, Faculty of Physics (Russian Federation); Zhilina, T. N.; Zavarzina, D. G. [Russian Academy of Sciences, Winogradsky Institute of Microbiology (Russian Federation)

    2010-04-15

    Moessbauer investigations between 4.5 and 300 K of iron minerals formed during the growth of the binary culture containing two anaerobic alkaliphilic bacteria-dissimilatory iron-reducing Geoalkalibacter ferrihydriticus (strain Z-0531) and organotrophic Anaerobacillus alkalilacustre (strain Z- 0521), have been carried out. Mannitol (2 g/l) as the sole substrate with amorphous Fe(III) hydroxide at final concentration 10 or 100 mM were added to the mineral medium. The formation of siderite and probable magnetite or a mixture of magnetite and maghemite were observed.

  8. 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.

  9. Pulsed laser kinetic studies of liquids under high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Eyring, E.M.

    1992-09-22

    A laser flash photolysis kinetic study of 2,2{prime}-bipyridine bidentate chelating ligands with one claw in the first coordination sphere of a molybdenum carbonyl complex has been completed at pressures up to 150 MPa. The reaction mechanism for thermal ring closure is found from activation volumes to change from associative interchange to dissociative interchange as substituents on the 2,2{prime}-bipyridine ligands become bulkier. In a similar study of more rigid, substituted phenanthroline bidentate ligands it was found that substituent bulkiness had little effect on the thermal ring closure mechanism. Stability constants for lithium ion complexes with crown ethers in a room temperature molten salt, fluorescence quantum yields for cresyl violet and several other dyes in solution, and the oxidation of alcohols by OsO{sub 4} have also been investigated.

  10. The powerful high pressure tool for protein conformational studies

    Directory of Open Access Journals (Sweden)

    Marchal S.

    2005-01-01

    Full Text Available The pressure behavior of proteins may be summarized as a the pressure-induced disordering of their structures. This thermodynamic parameter has effects on proteins that are similar but not identical to those induced by temperature, the other thermodynamic parameter. Of particular importance are the intermolecular interactions that follow partial protein unfolding and that give rise to the formation of fibrils. Because some proteins do not form fibrils under pressure, these observations can be related to the shape of the stability diagram. Weak interactions which are differently affected by hydrostatic pressure or temperature play a determinant role in protein stability. Pressure acts on the 2º, 3º and 4º structures of proteins which are maintained by electrostatic and hydrophobic interactions and by hydrogen bonds. We present some typical examples of how pressure affects the tertiary structure of proteins (the case of prion proteins, induces unfolding (ataxin, is a convenient tool to study enzyme dissociation (enolase, and provides arguments to understand the role of the partial volume of an enzyme (butyrylcholinesterase. This approach may have important implications for the understanding of the basic mechanism of protein diseases and for the development of preventive and therapeutic measures.

  11. 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,

  12. Iron implantation in gadolinium gallium garnet studied by conversion-electron Moessbauer spectroscopy

    CERN Document Server

    Szucs, I; Fetzer, C; Langouche, G

    1998-01-01

    Gadolinium gallium garnet single crystals were implanted with doses of sup 5 sup 7 Fe ions in the range 8x10 sup 1 sup 5 - 6x10 sup 1 sup 6 atoms cm sup - sup 2. Depending on the dose, iron with Fe sup 2 sup + or Fe sup 3 sup + charge states was found to have formed after the implantation. After a subsequent annealing in air, the iron oxidized to Fe sup 3 sup +. The Moessbauer and channelling measurements showed lattice recrystallization taking place at 600 deg. C. After recrystallization, the iron was found to have substituted for gallium ions both at the octahedral and at the tetrahedral positions. The relative concentration of the two types of iron at the two sites shifted towards the equilibrium distribution upon high-temperature annealing. (author)

  13. Stoichiometry of LiNiO{sub 2} Studied by Moessbauer Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Ksenofontov, V.; Reiman, S.; Walcher, D.; Garcia, Y. [Johannes Gutenberg Universitaet, Institut fuer Anorganische Chemie und Analytische Chemie (Germany); Doroshenko, N. [A. A. Galkin Donetsk Physico-Technical Institute NAS of Ukraine (Ukraine); Guetlich, P. [Johannes Gutenberg Universitaet, Institut fuer Anorganische Chemie und Analytische Chemie (Germany)

    2002-03-15

    From the {sup 61}Ni and {sup 57}Fe Moessbauer spectroscopy data follows the cationic site assignment in Li{sub 1-x}Ni{sub 1+x}O{sub 2}. Our data explain the ferromagnetic properties of this material because of the appearance of Ni{sup 2+} (S=1) among Ni{sup 3+} (S=1/2) in Ni{sup 3+}O{sub 2} hexagonal planes. We have no evidence for the ferromagnetic interaction between the NiO{sub 2} layers through the excess Ni{sup 2+} ions substituting the Li{sup +} ions. The presence of Ni{sup 2+} found in the Ni{sup 3+}O{sub 2} planes explains the absence of the Jahn-Teller distortions probably because of the electronic transfer between the Ni{sup 3+} and Ni{sup 2+} ions.

  14. Moessbauer and XRD study of the Fe{sub 65}Si{sub 35} alloy obtained by mechanical alloying

    Energy Technology Data Exchange (ETDEWEB)

    Velez, G. Y., E-mail: giovelez29@gmail.com [Universidad del Valle, Departamento de Fisica (Colombia); Rodriguez, R. R. [Corporacion Universidad Autonoma de Occidente (Colombia); Melo, C. A.; Perez Alcazar, G. A.; Zamora, Ligia E.; Tabares, J. A. [Universidad del Valle, Departamento de Fisica (Colombia)

    2011-11-15

    A study was made on the alloy Fe{sub 65}Si{sub 35} using x-ray diffraction and Moessbauer spectrometry. The alloy was obtained by mechanical alloying in a high energy planetary mill, with milling times of 15, 30, 50, 75 and 100 h. The results show that in the alloys two structural phases are present, a Fe-Si BCC disordered phase and ferromagnetic, and a Fe-Si SC phase, whose nature is paramagnetic and which decreases with milling time. In the temporal evolution of the milling two stages are differentiated: one between 15 and 75 h of milling, in which silicon atoms diffuse into the bcc matrix of iron and its effect is to reduce the hyperfine magnetic field; the other, after 75 h of milling, where the alloy is consolidated, the effect of the milling is only to increase the disorder of the system, increasing the magnetic order.

  15. Magnetic properties of GdPdSb and GdNiSb studied by {sup 155}Gd-Moessbauer spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Bielemeier, B. [Department Physik, Universitaet Paderborn, D-33098 Paderborn (Germany); Wortmann, G. [Department Physik, Universitaet Paderborn, D-33098 Paderborn (Germany)], E-mail: Wortmann@physik.upb.de; Casper, F.; Ksenofontov, V.; Felser, C. [Institut fuer Anorg. und Analyt. Chemie, Johannes Gutenberg-Universitaet, D-55099 Mainz (Germany)

    2009-07-01

    {sup 155}Gd-Moessbauer spectroscopy was applied to study the magnetic properties of GdPdSb with hexagonal LiGaGe structure and of GdNiSb in the cubic MgAgAs-type structure as well as in the hexagonal AlB{sub 2}-type structure. In GdPdSb magnetic ordering is observed at 13.0 K with indications of a tilted spin structure at lower temperatures. In the cubic phase of GdNiSb magnetic ordering is observed at 9.5 K and in the hexagonal phase around 3.5 K. These results are discussed in conjunction with previous investigations of these samples.

  16. Moessbauer study of Cu sub 0 sub . sub 8 Fe sub 2 sub . sub 2 O sub 4

    CERN Document Server

    Kim, S J; An, D H; Kang, K U; Baek, K S; Oak, H N

    2000-01-01

    Cu sub 0 sub . sub 8 Fe sub 2 sub . sub 2 O sub 4 has been studied by using Moessbauer spectroscopy and X-ray diffraction. The crystal is found to have a cubic spinel structure with the lattice constant a sub 0 =8.399 +- 0.005 A. It is noteworthy that a 20% replacement of Cu by Fe in the copper ferrite transforms the crystal structure from tetragonal to cubic and decreases the quadrupole shifts drastically. The iron ions at both A (tetrahedral) and B (octahedral) sites are found to be in ferric states. Atomic migration between A- and B-sites starts near 300 K and increases rapidly with increasing temperature to such a degree that 78% of the ferric ions at the A-sites move over to the B sites at 600 K.

  17. Application of Moessbauer spectroscopy to the study of tannins inhibition of iron and steel corrosion

    Energy Technology Data Exchange (ETDEWEB)

    Jaen, Juan A., E-mail: jjaen@ancon.up.ac.pa [Universidad de Panama, CITEN, Depto. de Quimica Fisica (Panama); Obaldia, J. De; Rodriguez, M. V. [Universidad de Panama, Escuela de Quimica, Facultad de Ciencias Naturales, Exactas y Tecnologia (Panama)

    2011-11-15

    The inhibitory effect of tannins was investigated using, among others, potentiodynamic polarizations and Moessbauer spectroscopy. These techniques confirmed that the nature, pH and concentration of tannic solution are of upmost importance in the inhibitory properties of the solutions. It is observed that at low tannin concentration or pH, both, hydrolizable and condensed tannins, effectively inhibit iron corrosion, due to the redox properties of tannins. At pH Almost-Equal-To 0, Moessbauer spectra of the frozen aqueous solutions of iron(III) with the tannin solutions showed that iron is in the form of a monomeric species [Fe(H{sub 2}O){sub 6}]{sup 3 + }, without coordination with the functional hydroxyl groups of the tannins. The suspended material consisted of amorphous ferric oxide and oxyhydroxides, though with quebracho tannin partly resulted in complex formation and in an iron (II) species from a redox process. Other tannins, such as chestnut hydrolysable tannins, do not complex iron at this low pH. Tannins react at high concentrations or pH (3 and 5) to form insoluble blue-black amorphous complexes of mono-and bis-type tannate complexes, with a relative amount of the bis-ferric tannate generally increasing with pH. Some Fe{sup 2 + } in the form of hydrated polymeric ferrous tannate could be obtained. At pH 7, a partially hydrolyzed ferric tannate complex was also formed. The latter two phases do not provide corrosion protection. Tannin solutions at natural pH react with electrodeposited iron films (approx. 6 {mu}m) to obtain products consisting only on the catecholate mono-complex of ferric tannate. Some aspects of the mechanism of tannins protection against corrosion are discussed.

  18. High pressure studies on hesperitin production with hesperidinase free and immobilized in calcium alginate beads

    Science.gov (United States)

    Furtado, Andreia; Rosário, Pedro M.; Calado, António R. T.; Alfaia, António J. I.; Ribeiro, Maria H. L.

    2012-03-01

    The use of high pressure for the enzymatic synthesis of pharmacologically interesting molecules is a very important tool. Hesperidin and hesperitin exhibit anti-inflammatory, antimicrobial, antioxidant, and anticarcinogenic properties and prevent bone loss. However, hesperidin has a low bioavailability compared with hesperitin, due to the rutinoside moiety attached to the flavonoid. The aim of this work was the enzymatic production of hesperitin from hesperidin (soluble and insoluble) with hesperidinase free and immobilized in Ca-alginate beads, under high pressure conditions. The work was focused on the optimization of enzyme activity, studying the effects: pressure (50-150 MPa), temperature (35-75 °C), concentration of substrate (100-800 mg/L), and immobilization of hesperidinase. An 18-fold increase in hesperidinase residual activity was observed under high pressure conditions of 100 MPa compared to 0.1 MPa. A higher specificity of the hydrolytic reaction under high pressure (100 MPa) with a two-and three-fold increase in the ratio K cat/K M (specificity constant) at 55 °C and 75 °C was observed. A two-fold increase in the maximum activity at 100 MPa was observed with immobilized hesperinase compared to 0.1 MPa. In the second reutilization, almost a four-fold increase was obtained under high pressure conditions in comparison to atmospheric pressure.

  19. Raman study of bromine-doped single-walled carbon nanotubes under high pressure

    CERN Document Server

    Liu Bing Bing; Yu Miao; Zou Guang Tian; Carlsten, J; Wagberg, T; Sundqvist, B

    2002-01-01

    Raman results for different single-walled carbon nanotube bundles doped with Br sub 2 were studied both at ambient pressure and under high pressure up to 6 GPa. Our study indicates that bromine resides in the interstitial channel of nanotube bundles as a form of polymer.

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

    Energy Technology Data Exchange (ETDEWEB)

    Cornelius, Andrew L. [Univ. of Nevada, Las Vegas, NV (United States)

    2016-08-26

    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.

  1. Moessbauer and X-ray diffraction studies of nanostructured Fe{sub 70}Al{sub 30} powders elaborated by mechanical alloying

    Energy Technology Data Exchange (ETDEWEB)

    Kezrane, M., E-mail: mohamedkezrane@yahoo.fr [LMP2M Laboratory, University of Medea, (26000) (Algeria); Guittoum, A. [Nuclear Research Centre of Algiers, 2 Bd Frantz Fanon, BP 399, Algiers (Algeria); Boukherroub, N.; Lamrani, S. [LMMC, M' hamed Bougara University, Boumerdes, 35000 (Algeria); Sahraoui, T. [Laboratory of Materials and Surface Treatments, LTSM, University of Saad Dahleb Blida, BP. 270 route de Soumaa, Blida (09000) (Algeria)

    2012-09-25

    Highlights: Black-Right-Pointing-Pointer Nanocrystalline Fe{sub 70}Al{sub 30} powders were successfully elaborated by mechanical alloying. Black-Right-Pointing-Pointer The Moessbauer spectra show that from 4 h of milling, a disordered ferromagnetic. Black-Right-Pointing-Pointer Fe{sub 70}Al{sub 30} starts to form and dominates after 36 h. - Abstract: We have studied the effect of milling time on the structural and hyperfine properties of Fe{sub 70}Al{sub 30} compound elaborated by mechanical alloying. The elaboration was performed with a vario-planetary ball mill P4 at different milling times. The milled powders were characterized by X-ray diffraction (XRD) and Moessbauer spectroscopy. From XRD diffraction spectra, we show that the bcc Fe(Al) solid solution was completely formed after 27 h of milling time. When the milling time increases, the lattice parameter increases, whereas the grain size decreases and the mean level of microstrains increases. The analysis of Moessbauer spectra shows that from 4 h of milling, a disordered ferromagnetic Fe{sub 70}Al{sub 30} starts to form and dominates after 36 h.

  2. {sup 57}Fe-Moessbauer study of electrically conducting barium iron vanadate glass after heat treatment

    Energy Technology Data Exchange (ETDEWEB)

    Kubuki, Shiro, E-mail: kubuki@ube-k.ac.jp; Sakka, Hiroshi; Tsuge, Kanako [Ube National College of Technology, Department of Chemical and Biological Engineering (Japan); Homonnay, Zoltan [Eoetvoes Lorand University, Laboratory of Nuclear Chemistry (Hungary); Sinko, Katalin [Eoetvoes Lorand University, Institute of Chemistry (Hungary); Kuzmann, Erno [Eoetvoes Lorand University, Laboratory of Nuclear Chemistry, HAS CRC (Hungary); Yasumitsu, Hiroki; Nishida, Tetsuaki [Kinki University, Graduate School of Advanced Technology (Japan)

    2008-07-15

    Local structure and thermal durability of semiconducting xBaO{center_dot}(90 - x)V{sub 2}O{sub 5} {center_dot} 10Fe{sub 2}O{sub 3} glasses (x = 20, 30 and 40), NTA glass{sup TM}, before and after isothermal annealing were investigated by {sup 57}Fe-Moessbauer spectroscopy and differential thermal analysis (DTA). An identical isomer shift ({delta}) of 0.39 {+-} 0.01 mm s{sup -1} and a systematic increase in the quadrupole splitting ({Delta}) were observed from 0.70 {+-} 0.02 to 0.80 {+-} 0.02 mm s{sup -1} with an increasing BaO content, showing an increase in the local distortion of Fe{sup III}O{sub 4} tetrahedra. From the slope of the straight line in the T{sub g}-{Delta} plot of NTA glass{sup TM}, it proved that Fe{sup III} plays a role of network former. Large Debye temperature ({Theta}{sub D}) values of 1000 and 486 K were respectively obtained for 20BaO {center_dot} 70V{sub 2}O{sub 5} {center_dot} 10Fe{sub 2}O{sub 3} glass before and after isothermal annealing at 400 deg. C for 60 min, respectively. This result also suggests that Fe{sup III} atoms constitute the glass network composed of tetrahedral FeO{sub 4}, tetrahedral VO{sub 4} and pyramidal VO{sub 5} units. The electric conductivity of 20BaO {center_dot} 70V{sub 2}O{sub 5} {center_dot} 10Fe{sub 2}O{sub 3} glass increased from 1.6 x 10{sup -5} to 5.8 x 10{sup -2} S cm{sup -1} after isothermal annealing at 450 deg. C for 2,000 min. These results suggest that the drastic increase in the electric conductivity caused by heat treatment is closely related to the structural relaxation of the glass network structure.

  3. Structural and Electronic Properties Study of Colombian Aurifer Soils by Moessbauer Spectroscopy and X-ray Diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Bustos Rodriguez, H., E-mail: hbustos@ut.edu.co; Rojas Martinez, Y.; Oyola Lozano, D. [Universidad del Tolima, Departamento de Fisica (Colombia); Perez Alcazar, G. A.; Fajardo, M. [Universidad del Valle, Departamento de Fisica (Colombia); Mojica, J. [Ingeominas Valle, Departamento de Geologia (Colombia); Molano, Y. J. C. [Universidad Nacional, Departamento de Geologia (Colombia)

    2005-02-15

    In this work a study on gold mineral samples is reported, using optical microscopy, X-ray diffraction (XRD) and Moessbauer spectroscopy (MS). The auriferous samples are from the El Diamante mine, located in Guachavez-Narino (Colombia) and were prepared by means of polished thin sections. The petrography analysis registered the presence, in different percentages that depend on the sample, of pyrite, quartz, arsenopyirite, sphalerite, chalcopyrite and galena. The XRD analysis confirmed these findings through the calculated cell parameters. One typical Rietveld analysis showed the following weight percent of phases: 85.0% quartz, 14.5% pyrite and 0.5% sphalerite. In this sample, MS demonstrated the presence of two types of pyrite whose hyperfine parameters are {delta}{sub 1} = 0.280 {+-} 0.002 mm/s and {Delta}{sub 1} = 0.642 {+-} 0.002 mm/s, {delta}{sub 2} = 0.379 {+-} 0.002 mm/s and {Delta}{sub 2} = 0.613 {+-} 0.002 mm/s.

  4. Experimental study of the ecological impact of hot water/high pressure cleaning on rocky shores

    Energy Technology Data Exchange (ETDEWEB)

    Menot, L.; Chasse, C.; Kerambrun, L. [CEDRE, Plouzane (France)

    1998-09-01

    The efficiency of high pressure/hot water washing for cleaning oiled rocky shores was determined. The study also highlighted the level of tolerance towards high pressure/hot water of different intertidal biota and proposed some operational recommendations for using this technique in regards with the biota sensitivity range. The study showed that pressure, higher than 170 g/m{sup 2} on the substratum, had the most detrimental effects on intertidal biota. Temperatures between 25 and 53 degrees C had only minor effects. The most sensitive taxa were the foliaceous lichens and the barnacles. Crustose lichens and algae were found to be tolerant to both pressure and temperature. Seaweeds protected the underneath epifauna. 12 refs., 1 tab., 4 figs.

  5. Solvated fullerenes, a new class of carbon materials suitable for high-pressure studies: A review

    Science.gov (United States)

    Wang, Lin

    2015-09-01

    As the list of known carbon compounds grows longer, solvated fullerenes have become a more important class of carbon materials. Their general properties and methods of synthesis have both attracted considerable attention. The study of the behavior of these compounds under high-pressure conditions has revealed several new phenomena that have never been observed in pure fullerene. This article is a review of all recent progress in this field.

  6. High pressure x-ray diffraction study of nickel-copper chromites solid solutions

    Science.gov (United States)

    Mikheykin, A. S.; Torgashev, V. I.; Talanov, V. M.; Bush, A. A.; Chernyshov, D.; Yuzyuk, I. Yu; Dmitriev, V. P.

    2014-12-01

    A high-pressure synchrotron radiation diffraction study has been carried out on Ni1-xCuxCr2O4 solid solutions. Observed pressure-controlled phase transitions, along with data previously collected for temperature-induced phase transitions, are analyzed in the framework of the unified phenomenological model that results in mapping of the generic phase diagram for the whole family of Ni1-xCuxCr2O4 solid solutions.

  7. High-pressure electrical resistivity studies for Ba1-xCsxFe2Se3

    Science.gov (United States)

    Kawashima, C.; Soeda, H.; Takahashi, H.; Hawai, T.; Nambu, Y.; Sato, T. J.; Hirata, Y.; Ohgushi, K.

    2017-10-01

    High-pressure electrical resistance measurements were performed for iron-based ladder material Ba1-xCsxFe2Se3 (x = 0.25 and 0.65) using a diamond anvil cell (DAC). Recent high-pressure study revealed that iron-based ladder material BaFe2S3 exhibits an insulator-metal transition and superconductivity, and this discovery would provide important insight for understanding the mechanism of iron-based superconductors. Therefore, it is intriguing to investigate the high-pressure properties for the iron-based ladder material Ba1-xCsxFe2Se3 system. The parent compounds BaFe2Se3 and CsFe2Se3 show insulating and magnetic ordering features. For Ba1-xCsxFe2Se3 system, no magnetic ordering is observed for x = 0.25 and minimum charge gap was estimated for x = 0.65. The insulator-metal transitions are observed in both materials.

  8. Study on the dynamic characteristics, refrigerant and lubricating oil in the high-pressure hermetic compressor.

    Science.gov (United States)

    Okada, Tetsuji

    The dynamics characteristics and refrigerant and lubricating oil in the high-pressure hermeti compressor has been studied. The compressor is 1 HP for the air conditioner of home use. The experiment and the analytic simulation have been researched. As a result, the theoretic compressor model was proposed. This model has three processes inside of compressor. They are the suction process, the compression process, and the discharge process. In each process, mass equations and energy equations are considered. Also, the inlet refrigerant conditions (2-phase refrigerant) were simulated and the dynamic characteristics of refrigerant and refrigerant and lubricating oil at starting was obtaied.

  9. High Pressure X-ray Diffraction Study on Icosahedral Boron Arsenide (B12As2)

    Energy Technology Data Exchange (ETDEWEB)

    J Wu; H Zhu; D Hou; C Ji; C Whiteley; J Edgar; Y Ma

    2011-12-31

    The high pressure properties of icosahedral boron arsenide (B12As2) were studied by in situ X-ray diffraction measurements at pressures up to 25.5 GPa at room temperature. B12As2 retains its rhombohedral structure; no phase transition was observed in the pressure range. The bulk modulus was determined to be 216 GPa with the pressure derivative 2.2. Anisotropy was observed in the compressibility of B12As2-c-axis was 16.2% more compressible than a-axis. The boron icosahedron plays a dominant role in the compressibility of boron-rich compounds.

  10. X-ray diffraction and Moessbauer studies on superparamagnetic nickel ferrite (NiFe{sub 2}O{sub 4}) obtained by the proteic sol–gel method

    Energy Technology Data Exchange (ETDEWEB)

    Nogueira, N.A.S. [Departamento de Engenharia Metalúrgica e de Materiais, Centro de Tecnologia, Campus do Pici, Universidade Federal do Ceará – UFC, 60455-760 Fortaleza, CE (Brazil); Utuni, V.H.S.; Silva, Y.C. [Departamento de Física, Universidade Federal do Ceará – UFC, Campus do Pici, 60440-970 Fortaleza, CE (Brazil); Kiyohara, P.K. [Instituto de Física, Universidade de São Paulo – USP, 05315-970 São Paulo, SP (Brazil); Vasconcelos, I.F. [Departamento de Engenharia Metalúrgica e de Materiais, Centro de Tecnologia, Campus do Pici, Universidade Federal do Ceará – UFC, 60455-760 Fortaleza, CE (Brazil); Miranda, M.A.R., E-mail: marcus.a.r.miranda@gmail.com [Departamento de Física, Universidade Federal do Ceará – UFC, Campus do Pici, 60440-970 Fortaleza, CE (Brazil); Sasaki, J.M. [Departamento de Física, Universidade Federal do Ceará – UFC, Campus do Pici, 60440-970 Fortaleza, CE (Brazil)

    2015-08-01

    Nickel ferrite (NiFe{sub 2}O{sub 4}) nanoparticles were synthesized by the proteic sol–gel method at synthesis temperature of 250 °C, 300 °C and 400 °C, with the objective of obtaining superparamagnetic nanoparticles. Thermogravimetric analysis (TGA) and temperature-programed oxidation (TPO) presented peaks around 290 °C indicating that nickel ferrite was forming at this temperature. X-ray powder diffraction (XRPD) confirmed that the polycrystalline sample was single phased NiFe{sub 2}O{sub 4} with space group Fd3m. Scherrer equation applied to the diffraction patterns and transmission electron microscopy (TEM) images showed that the size of the nanoparticles ranged from 9 nm to 13 nm. TEM images also revealed that the nanoparticles were agglomerated, which was supported by the low values of surface area provided by the Brunauer-Emmet-Teller (BET) method. Moessbauer spectroscopy presented spectra composed of a superposition of three components: a sextet, a doublet and a broad singlet pattern. The sample synthetized at 300 °C had the most pronounced doublet pattern characteristic of superparamagnetic nanoparticles. In conclusion, this method was partially successful in obtaining superparamagnetic nickel ferrite nanoparticles, in which the synthetized samples were a mixture of nanoparticles with blocking temperature above and below room temperature. Magnetization curves revealed a small hysteresis, supporting the Moessbauer results. The sample with the higher concentration of superparamagnetic nanoparticles being the one synthetized at 300 °C. - Highlights: • Superparamagnetic nickel ferrite nanoparticles were grown by the proteic sol–gel method. • The proteic sol–gel method provided superparamagnetic nickel ferrite nanoparticles with sizes in the range of 9–13 nm. • Nickel ferrite nanoparticles were prepared at temperatures as low as 250 °C. • The nickel ferrite nanoparticles were studied by x-ray diffraction and Moessbauer.

  11. 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.

  12. Study of the iron hydroxide in oxidative reaction in base media using Moessbauer spectroscopy; Estudio de reaccion oxidativa del hidroxido ferrico en medio basico empleando espectroscopia Mossbauer

    Energy Technology Data Exchange (ETDEWEB)

    Reyes F, A.A

    1997-12-31

    {sub 4}) and the hematite (Fe{sub 2} O{sub 3}) have the same cubic symmetry but with different atomic arrangement and slightly different lattice parameters. On the other hand, the goethite ({alpha}-FeOOH) posses an orthorhombic symmetry. X-ray diffraction, Moessbauer, surface area and positron annihilation lifetime measurements were performed to characterize the products of oxidation reaction of the Fe(OH){sub 2} in basic medium. The measure of the life times of the positron and the surface areas were realized to know some aspects related to the defects of the studied samples. (Author)

  13. Microstructure of calcite deformed by high-pressure torsion: An X-ray line profile study

    Science.gov (United States)

    Schuster, Roman; Schafler, Erhard; Schell, Norbert; Kunz, Martin; Abart, Rainer

    2017-11-01

    Calcite aggregates were deformed to high strain using high-pressure torsion and applying confining pressures of 1-6 GPa and temperatures between room temperature and 450 °C. The run products were characterized by X-ray diffraction, and key microstructural parameters were extracted employing X-ray line profile analysis. The dominant slip system was determined as r { 10 1 bar 4 } ⟨ 2 bar 021 ⟩ with edge dislocation character. The resulting dislocation density and the size of the coherently scattering domains (CSD) exhibit a systematic dependence on the P-T conditions of deformation. While high pressure generally impedes recovery through reducing point defect mobility, the picture is complicated by pressure-induced phase transformations in the CaCO3 system. Transition from the calcite stability field to those of the high-pressure polymorphs CaCO3-II, CaCO3-III and CaCO3-IIIb leads to a change of the microstructural evolution with deformation. At 450 °C and pressures within the calcite stability field, dislocation densities and CSD sizes saturate at shear strains exceeding 10 in agreement with earlier studies at lower pressures. In the stability field of CaCO3-II, the dislocation density exhibits a more complex behavior. Furthermore, at a given strain and strain rate, the dislocation density increases and the CSD size decreases with increasing pressure within the stability fields of either calcite or of the high-pressure polymorphs. There is, however, a jump from high dislocation densities and small CSDs in the upper pressure region of the calcite stability field to lower dislocation densities and larger CSDs in the low-pressure region of the CaCO3-II stability field. This jump is more pronounced at higher temperatures and less so at room temperature. The pressure influence on the deformation-induced evolution of dislocation densities implies that pressure variations may change the rheology of carbonate rocks. In particular, a weakening is expected to occur at

  14. Rotational dynamics of confined C60 from near-infrared Raman studies under high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Zou, Yonggang; Liu, Bingbing; Wang, Liancheng; Liu, Dedi; Yu, Shidan; Wang, Peng; Li, Xianglin; Wang, Tianyi; Yao, Mingguang; Li, Quanjun; Zou, Bo; Cui, Tian; Zou, Guangtian; Wågberg, Thomas; Sundq, Bertil; Mao, Ho-kwang

    2009-12-29

    Peapods present a model system for studying the properties of dimensionally constrained crystal structures, whose dynamical properties are very important. We have recently studied the rotational dynamics of C60 molecules confined inside single walled carbon nanotube (SWNT) by analyzing the intermediate frequency mode lattice vibrations using near-infrared Raman spectroscopy. The rotation of C60 was tuned to a known state by applying high pressure, at which condition C60 first forms dimers at low pressure and then forms a single-chain, nonrotating, polymer structure at high pressure. In the latter state the molecules form chains with a 2-fold symmetry. We propose that the C60 molecules in SWNT exhibit an unusual type of ratcheted rotation due to the interaction between C60 and SWNT in the “hexagon orientation,” and the characteristic vibrations of ratcheted rotation becomes more obvious with decreasing temperature.

  15. High-pressure study of lithium amidoborane using Raman spectroscopy and insight into dihydrogen bonding absence.

    Science.gov (United States)

    Najiba, Shah; Chen, Jiuhua

    2012-11-20

    One of the major obstacles to the use of hydrogen as an energy carrier is the lack of proper hydrogen storage material. Lithium amidoborane has attracted significant attention as hydrogen storage material. It releases ∼10.9 wt% hydrogen, which is beyond the Department of Energy target, at remarkably low temperature (∼90 °C) without borazine emission. It is essential to study the bonding behavior of this potential material to improve its dehydrogenation behavior further and also to make rehydrogenation possible. We have studied the high-pressure behavior of lithium amidoborane in a diamond anvil cell using in situ Raman spectroscopy. We have discovered that there is no dihydrogen bonding in this material, as the N-H stretching modes do not show redshift with pressure. The absence of the dihydrogen bonding in this material is an interesting phenomenon, as the dihydrogen bonding is the dominant bonding feature in its parent compound ammonia borane. This observation may provide guidance to the improvement of the hydrogen storage properties of this potential material and to design new material for hydrogen storage application. Also two phase transitions were found at high pressure at 3.9 and 12.7 GPa, which are characterized by sequential changes of Raman modes.

  16. The mechanical, electronic and optical properties of KH under high pressure: a density functional theory study

    Science.gov (United States)

    Xinyou, An; Feng, Geng; Weiyi, Ren; Hui, Yang; Ziqi, He; Feiyu, Wang; Tixian, Zeng

    2017-03-01

    The mechanical, electronic and optical properties of KH under high pressure have been studied using the generalized gradient approximation and Heyd-Scuseria-Ernzerh of hybrid method within density functional theory. Based on the usual condition of equal enthalpies, high pressure phase transition of KH from B 1 to B 2 was confirmed, is about 4.1 GPa, and normalized volume collapse ΔV P /V 0 is about 11.09%. The calculated equilibrium structural parameters and elastic modulus are in excellent agreement with the experimental and other theoretical results. At ground states, B 1 KH is elastic stable, but B 2 KH is unstable. C 11 and c‧ are the main factors, which cause the structural phase transition under the pressures. The band structures and density of states of KH were calculated and analyzed in detail. Valance bands are local and conduction bands are continuous. The VBs mainly originate from K 3s, 3p and H 1s states, and the CBs consist of K 3s, 3p states, some hybridized levels are found between K 3s and 3p states. Mulliken population analysis of KH indicate that the charge populations of H 1s and K 3p states are very obvious but K 3s states are relatively weak, the charge transfers are from K to H. The linear response optical properties of KH were emphatically predicted combing with the band structures and frequency-dependent and dielectric function ε(ω).

  17. Thermal treatment of the Fe{sub 78}Si{sub 9}B{sub 13} alloy in it amorphous phase studied by means of Moessbauer spectroscopy; Tratamiento termico de la aleacion Fe{sub 78}Si{sub 9}B{sub 13} en su fase amorfa estudiado por medio de la espectroscopia Moessbauer

    Energy Technology Data Exchange (ETDEWEB)

    Cabral P, A. [ININ, 52045 Ocoyoacac, Estado de Mexico (Mexico); Lopez, A.; Garcia S, F. [Facultad de Ciencias, UAEM, 50000 Toluca, Estado de Mexico (Mexico)

    2003-07-01

    The magnetic and microhardness changes, dependents of the temperature that occur in the Fe{sub 78}Si{sub 9}B{sub 13} alloy in it amorphous state were studied by means of the Moessbauer spectroscopy and Vickers microhardness. According to the Moessbauer parameters and in particular that of the hyperfine magnetic field, this it changes according to the changes of the microhardness; i.e. if the microhardness increases, the hyperfine magnetic field increases. The registered increment of hardness in the amorphous state of this alloy should be considered as anomalous, according to the prediction of the Hall-Petch equation, the one that relates negative slopes with grain sizes every time but small. (Author)

  18. High-pressure study on borides, nanocrystals and negative thermal expansion materials

    Science.gov (United States)

    Chen, Bin

    2001-07-01

    By the use of Mao-Bell diamond anvil cell, employed with x-ray diffraction, optical absorption, Raman and Fourier Transform Infrared (FTIR) spectroscopy, iron borides, nanocrystalline Ni, Fe, Ni3Fe, Al2O 3, Negative Thermal Expansion (NTE) materials such as HfW2O 8, ZrW2O8, ZrMo2O8 have been studied under high pressure. The results of a synchrotron x-ray diffraction study of Fe2B under quasi-hydrostatic conditions from 0 to 50 GPa are reported. Over this pressure range, no phase change or disproportionation has been observed. A value of the bulk modulus, K, of 192 +/- 14 GPa and the first pressure derivative of the bulk modulus, K', of 2.6 +/- 0.6, are obtained. The compression is found to be anisotropic, with the a-axis being more incompressible than the c-axis. X-ray diffraction data of nanocrystalline Ni, Fe and Ni3Fe, using a synchrotron source, was collected under nonhydrostatic and quasi-hydrostatic conditions up to 60 GPa. The bulk moduli, of 185.4 +/- 10 GPa, 171 +/- 5 GPa, 179.4 +/- 8.1 GPa, 168.3 +/- 2.6 GPa, are determined from quasi-hydrostatic compression data of nanocrystalline Ni, alpha-Fe, epsilon-Fe and Ni3Fe, respectively, which are found similar to those of large-grained counterparts. Their phase transformations are studied and compared with their bulk counterparts. A new phase of Al2O3 formed by compression of the nanocrystalline gamma-phase has been detected. This high-pressure phase is metastable upon decompression to ambient pressure, and has a bulk modulus of 251 +/- 10 GPa for Al2O3 of 67 nm. From hydrostatic compression, bulk moduli of K67 = 238 +/- 3 GPa and K37 = 172 +/- 3 GPa are obtained for the 67 nm and 37 nm gamma-Al2O3 particles, respectively, which are significantly higher than that found in a previous study of smaller sized nanocrystals of gamma-alumina (K20 = 162 +/- 14 GPa for 20 nm crystallites). High pressure optical absorption, Raman and FTIR measurements are carried out on negative thermal expansion materials: HfW2O8, ZrW2O

  19. Study of the thermohydraulics of CO2 discharge from a high pressure reservoir

    NARCIS (Netherlands)

    Ahmad, M.; Osch, M.B.V.; Buit, L.; Florisson, O.; Hulsbosch-Dam, C.; Spruijt, M.; Davolio, F.

    2013-01-01

    An experimental test set up has been constructed to carry out controlled CO2 release experiments from a high pressure vessel. The test set up is made up of a 500l stainless steel vessel where CO2 can be introduced up to high pressures and where controlled releases can be conducted. The work

  20. 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

  1. Feasibility study of underground energy storage using high-pressure, high-temperature water. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Dooley, J.L.; Frost, G.P.; Gore, L.A.; Hammond, R.P.; Rawson, D.L.; Ridgway, S.L.

    1977-01-01

    A technical, operational and economic feasibility study on the storage of energy as heated high pressure water in underground cavities that utilize the rock overburden for containment is presented. Handling peak load requirements of electric utility power networks is examined in some detail. The cavity is charged by heating water with surplus steaming capacity during periods of low power requirement. Later this hot water supplies steam to peaking turbines when high load demands must be met. This system can be applied to either new or existing power plants of nuclear or fossil fuel type. The round trip efficiency (into storage and back) is higher than any other system - over 90%. Capital costs are competitive and the environmental impact is quite benign. Detailed installation and design problems are studied and costs are estimated. The continental United States is examined for the most applicable geology. Formations favorable for these large cavities exist in widespread areas.

  2. Theoretical Study on Electronic, Optical Properties and Hardness of Technetium Phosphides under High Pressure

    Directory of Open Access Journals (Sweden)

    Shiquan Feng

    2017-06-01

    Full Text Available In this paper, the structural properties of technetium phosphides Tc3P and TcP4 are investigated by first principles at zero pressure and compared with the experimental values. In addition, the electronic properties of these two crystals in the pressure range of 0–40 GPa are investigated. Further, we discuss the change in the optical properties of technetium phosphides at high pressures. At the end of our study, we focus on the research of the hardness of TcP4 at different pressures by employing a semiempirical method, and the effect of pressure on the hardness is studied. Results show that the hardness of TcP4 increases with the increasing pressure, and the influence mechanism of pressure effect on the hardness of TcP4 is also discussed.

  3. 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%.

  4. Implementation of micro-ball nanodiamond anvils for high-pressure studies above 6 Mbar.

    Science.gov (United States)

    Dubrovinsky, Leonid; Dubrovinskaia, Natalia; Prakapenka, Vitali B; Abakumov, Artem M

    2012-01-01

    Since invention of the diamond anvil cell technique in the late 1950s for studying materials at extreme conditions, the maximum static pressure generated so far at room temperature was reported to be about 400 GPa. Here we show that use of micro-semi-balls made of nanodiamond as second-stage anvils in conventional diamond anvil cells drastically extends the achievable pressure range in static compression experiments to above 600 GPa. Micro-anvils (10-50 μm in diameter) of superhard nanodiamond (with a grain size below ∼50 nm) were synthesized in a large volume press using a newly developed technique. In our pilot experiments on rhenium and gold we have studied the equation of state of rhenium at pressures up to 640 GPa and demonstrated the feasibility and crucial necessity of the in situ ultra high-pressure measurements for accurate determination of material properties at extreme conditions.

  5. Moessbauer-Borrmann superradiance

    Energy Technology Data Exchange (ETDEWEB)

    Baldwin, G.C.; Feld, M.S.; Hannon, J.P.; Hutton, J.T.; Trammell, G.T.

    1986-01-01

    The kinetic behavior of a gamma-ray laser is comprised of an array of isomeric nuclei located at regular lattice sites in a perfect single crystal of dimensions and structure so chosen as to favor anomalous emission into that Borrmann mode having the maximum possible number of component Bragg-reflected beams, which greatly reduces the excitation requirements. The analysis of several hypothetical systems shows that superradiance, rather than amplified spontaneous emission, will then be the preferred mode of deexcitation, provided the nuclei can be pumped rapidly to a short-lived Moessbauer level while preserving crystal integrity. This warrants a search for solutions to the major problems: candidate nuclides, preparation of a storage isomer, and interlevel transfer from storage to lasing state. 10 refs., 8 figs., 2 tabs.

  6. 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

  7. Moessbauer spectroscopy study of a mineral sample from Oshno Hill, District of Chavin de Pariarca, Huanuco Region, Peru

    Energy Technology Data Exchange (ETDEWEB)

    Bustamante, A., E-mail: abustamanted@unmsm.edu.pe [Universidad Nacional Mayor de San Marcos, Laboratorio de Ceramicos y Nanomateriales, Facultad de Ciencias Fisicas (Peru); Lovera, D. [Universidad Nacional Mayor de San Marcos, Facultad de Ingenieria Geologica, Minera, Metalurgica y Geografica (Peru); Quille, R. [Universidad Nacional Mayor de San Marcos, Laboratorio de Ceramicos y Nanomateriales, Facultad de Ciencias Fisicas (Peru); Arias, A. V.; Quinones, J. [Universidad Nacional Mayor de San Marcos, Facultad de Ingenieria Geologica, Minera, Metalurgica y Geografica (Peru)

    2010-01-15

    The analysis by X-ray diffraction of a mining sample collected from Oshno hill, which is located in the District of Chavin de Pariarca, Huamalies Province, Huanuco, Peru, indicates the presence of lepidocrocite ({gamma}-FeOOH) and goethite ({alpha}-FeOOH). The room temperature Moessbauer spectrum (MS) doublet with broad lines displays hyperfine parameters corresponding to the presence of particles of iron hydroxides smaller than 100 A in a superparamagnetic regime. The measurement of a MS at 4.2 K allowed confirming the presence of goethite and lepidocrocite (with average magnetic fields of 49.21 T and 44.59 T, respectively).

  8. Moessbauer studies of one representative hydromorphic soil of the coastal area of the Rio de La Plata

    Energy Technology Data Exchange (ETDEWEB)

    Guichon, B. A. [Universidad Nacional de La Plata, Instituto de Geomorfologia y Suelos (Argentina); Desimoni, J.; Mercader, R. C., E-mail: mercader@fisica.unlp.edu.ar [Universidad Nacional de La Plata, Departamento de Fisica, IFLP-CONICET, Facultad de Ciencias Exactas (Argentina); Imbellone, P. A. [Universidad Nacional de La Plata, Instituto de Geomorfologia y Suelos (Argentina)

    2010-01-15

    In the present work, we have applied Moessbauer spectroscopy as well as the traditional chemical analyses to assess the contents of different states of Fe in oxides and hydroxides in an Entisol soil from the Argentine coastal plain of the Rio de La Plata. Tentative assignments for the different Fe ion sites are proposed. Our findings show that the isomer shift and quadrupole splitting are sensitive to the changes detected in the Fe{sup 2+} contents of the soluble phase while others remain constant within the experimental uncertainties.

  9. High-pressure Raman study of microcrystalline WO{sub 3} tungsten oxide

    Energy Technology Data Exchange (ETDEWEB)

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

    2002-06-17

    A high-pressure Raman study of microcrystalline tungsten oxide was performed in the 0.1 MPa-30 GPa pressure range under hydrostatic and non-hydrostatic conditions. Two phase transitions are evidenced; they take place below 0.1 GPa and at about 22 GPa and are of first order. Two spectral anomalies are observed at about 3 and 10 GPa; they may be related to diffuse weak structural transitions. The number of observed Raman bands remains practically unchanged in the 0.1-30 GPa range and thus the symmetry changes are likely to be small. Surprisingly, the non-hydrostatic conditions do not induce inhomogeneous band broadening and do not modify the transition sequence observed in hydrostatic conditions. The compressibilities of the different observed phases are estimated from spectral data and discussed within Hazen's polyhedral approach. (author)

  10. High-pressure Raman study of microcrystalline WO3 tungsten oxide

    Science.gov (United States)

    Boulova, M.; Rosman, N.; Bouvier, P.; Lucazeau, G.

    2002-06-01

    A high-pressure Raman study of microcrystalline tungsten oxide was performed in the 0.1 MPa-30 GPa pressure range under hydrostatic and non-hydrostatic conditions. Two phase transitions are evidenced; they take place below 0.1 GPa and at about 22 GPa and are of first order. Two spectral anomalies are observed at about 3 and 10 GPa they may be related to diffuse weak structural transitions. The number of observed Raman bands remains practically unchanged in the 0.1-30 GPa range and thus the symmetry changes are likely to be small. Surprisingly, the non-hydrostatic conditions do not induce inhomogeneous band broadening and do not modify the transition sequence observed in hydrostatic conditions. The compressibilities of the different observed phases are estimated from spectral data and discussed within Hazen's polyhedral approach.

  11. 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...... with thermodynamic properties that depend on the distance from the solid surface (or position in the porous space). The description involves the two kinds of interactions present in the adsorbed fluid, i.e. the fluid-fluid and fluid-solid interactions. accounted for by means of an equation of state (Eo......S) and interaction potential functions, respectively. This makes it possible to generate the different MPTA models by combination of the relevant EoS/potentials. In the present work, the simplified perturbed-chain statistical associating fluid theory (sPC-SAFT) EoS is used for the thermodynamic description of both...

  12. High pressure infrared spectroscopy study on C60∗CS2 solvates

    Science.gov (United States)

    Du, Mingrun; Zhou, Miao; Yao, Mingguang; Ge, Peng; Chen, Shuanglong; Yang, Xigui; Liu, Ran; Liu, Bo; Cui, Tian; Sundqvist, Bertil; Liu, Bingbing

    2017-02-01

    High pressure IR study has been carried out on C60∗CS2 solvates up to 34.8 GPa. It is found that the intercalated CS2 molecules significantly affect the transformations of C60 molecules under pressure. As a probe, the intercalated CS2 molecules can well detect the orientational ordering transition and deformation of C60 molecules under pressure. The chemical stability of CS2 molecules under pressure is also dramatically enhanced due to the spacial shielding effet from C60 molecules around in the solvated crystal. These results provide new insight into the effect of interactions between intercalants and fullerenes on the transformations in fullerene solvates under pressure.

  13. 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 ...

  14. 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...

  15. High Pressure Study of Structural and Electronic Properties of PbSe

    Directory of Open Access Journals (Sweden)

    P. Bhambhani

    2014-01-01

    Full Text Available High pressure structural phase transition and electronic properties have been investigated using the linear combination of atomic orbitals (LCAO method with two exchange-correlation approximations, the generalized gradient approximation (GGA and local density approximation (LDA. The present study shows phase transitions from B1 to B27 and B27 to B2 at 6.24 GPa and 16.39 GPa, respectively. Lattice constant, bulk modulus, and energy gap of pressure-induced PbSe are found to be in good agreement with previous theoretical and experimental results. Variation of electronic band structure with pressure shows direct band gap along L point of the Brillouin zone.

  16. Electronic phase diagrams and competing ground states of complex iron pnictides and chalcogenides. A Moessbauer spectroscopy and muon spin rotation/relaxation study

    Energy Technology Data Exchange (ETDEWEB)

    Kamusella, Sirko

    2017-03-01

    In this thesis the superconducting and magnetic phases of LiOH(Fe,Co)(Se,S), CuFeAs/CuFeSb, and LaFeP{sub 1-x}As{sub x}O - belonging to the 11, 111 and 1111 structural classes of iron-based arsenides and chalcogenides - are investigated by means of {sup 57}Fe Moessbauer spectroscopy and muon spin rotation/relaxation (μSR). Of major importance in this study is the application of high magnetic fields in Moessbauer spectroscopy to distinguish and characterize ferro- (FM) and antiferromagnetic (AFM) order. A user-friendly Moessbauer data analysis program was developed to provide suitable model functions not only for high field spectra, but relaxation spectra or parameter distributions in general. In LaFeP{sub 1-x}As{sub x}O the reconstruction of the Fermi surface is described by the vanishing of the Γ hole pocket with decreasing x. The continuous change of the orbital character and the covalency of the d-electrons is shown by Moessbauer spectroscopy. A novel antiferromagnetic phase with small magnetic moments of ∼ 0.1 μ{sub B} state is characterized. The superconducting order parameter is proven to continuously change from a nodal to a fully gapped s-wave like Fermi surface in the superconducting regime as a function of x, partially investigated on (O,F) substituted samples. LiOHFeSe is one of the novel intercalated FeSe compounds, showing strongly increased T{sub C} = 43 K mainly due to increased interlayer spacing and resulting two-dimensionality of the Fermi surface. The primary interest of the samples of this thesis is the simultaneously observed ferromagnetism and superconductivity. The local probe techniques prove that superconducting sample volume gets replaced by ferromagnetic volume. Ferromagnetism arises from magnetic order with T{sub C} = 10 K of secondary iron in the interlayer. The tendency of this system to show (Li,Fe) disorder is preserved upon (Se,S) substitution. However, superconductivity gets suppressed. The results of Moessbauer spectroscopy

  17. 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.

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

    Indian Academy of Sciences (India)

    20

    High pressure studies of superconductivity in BiO0.75F0.25BiS2. Zeba Haque1, Gohil S Thakur1, Ganesan Kalai Selvan2, Sonachalam Arumugam2, L C. Gupta. 1†. , and A K Ganguli1,3*. 1 Department of Chemistry, Indian Institute of Technology Delhi, New Delhi 110016, India. 2Centre for High Pressure Research, School ...

  19. High-pressure NMR techniques for the study of protein dynamics, folding and aggregation

    Science.gov (United States)

    Nguyen, Luan M.; Roche, Julien

    2017-04-01

    High-pressure is a well-known perturbation method used to destabilize globular proteins and dissociate protein complexes or aggregates. The heterogeneity of the response to pressure offers a unique opportunity to dissect the thermodynamic contributions to protein stability. In addition, pressure perturbation is generally reversible, which is essential for a proper thermodynamic characterization of a protein equilibrium. When combined with NMR spectroscopy, hydrostatic pressure offers the possibility of monitoring at an atomic resolution the structural transitions occurring upon unfolding and determining the kinetic properties of the process. The recent development of commercially available high-pressure sample cells greatly increased the potential applications for high-pressure NMR experiments that can now be routinely performed. This review summarizes the recent applications and future directions of high-pressure NMR techniques for the characterization of protein conformational fluctuations, protein folding and the stability of protein complexes and aggregates.

  20. Moessbauer effect study of iron(III)-inidazolidine nitroxyl-free radical ligand complex

    Energy Technology Data Exchange (ETDEWEB)

    Mulaba, A. [Technikon Witwatersrand, Metallurgy Department (South Africa); Kiremire, E. [University of the Witwatersrand, Chemistry Department (South Africa); Pollak, H. [University of the Witwatersrand, Physics Department (South Africa); Boeyens, J. [University of the Witwatersrand, Chemistry Department (South Africa)

    1999-09-15

    A new complex, [Fe(acac)L{sub 2}], bearing inidazolidine nitroxyl-free radical ligand (L{sup -}) was recently synthesised for biological studies. It proved to be biologically active against African sleeping sickness, plasmodium falciparum (malaria), leishmaniasis and chaga disease causative agents. Three ESR well resolved peaks indicated the presence of a free (unpaired) and chemically active electron in the complex. The structural complex ferric iron was found at the centre of two electric gradient whose the biggest is suggested to be initiated by the unpaired charge. No distinction between different cis isomers could be made.

  1. Early Pottery Making in Northern Coastal Peru. Part IV: Moessbauer Study of Ceramics from Huaca Sialupe

    Energy Technology Data Exchange (ETDEWEB)

    Shimada, I. [Southern Illinois University (United States); Haeusler, W.; Jakob, M. [Technische Universitaet Muenchen, Physik-Department E15 (Germany); Montenegro, J. [Southern Illinois University (United States); Riederer, J. [Rathgen-Forschungslabor (Germany); Wagner, U. [Technische Universitaet Muenchen, Physik-Department E15 (Germany)

    2003-09-15

    We report on an interdisciplinary study of ceramic material excavated in 1999 and 2001 at a 1000-year old ceramic and metal production site, located at Huaca Sialupe in the La Leche valley on the north coast of Peru and dating to the Middle Sican period (AD 900-1100). Sherds of Sican red- and blackware, numerous moulds, several kilns and other evidence of pottery making were found. The pottery, in particular, is famous for its fine texture and perfect black surface finish. In addition, some clay lumps and sherds of unfired Sican pottery were excavated. Within the same workshop several large inverted ceramic urns used as furnaces were found together with Middle Sican metal working tools and debris. Various physical methods were applied to investigate this material. The ancient firing procedures could be elucidated by comparing the spectra observed for the ancient sherds with model spectra of laboratory and field fired clay samples. This shows that the fine ware made at Huaca Sialupe was intentionally fired under strongly reducing conditions at temperatures up to 900{sup o}C. Reoxidation at the end of the reducing firing took place only occasionally. Less care was taken in firing moulds used for pottery making.

  2. Anelastic Relaxation Mechanisms Characterization by Moessbauer Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Soberon Mobarak, Martin Jesus, E-mail: msoberon@sep.gob.mx [Secretaria de Educacion Publica (Mexico)

    2005-02-15

    Anelastic behavior of crystalline solids is generated by several microstructural processes. Its experimental study yields valuable information about materials, namely: modulus, dissipation mechanisms and activation enthalpies. However, conventional techniques to evaluate it are complicated, expensive, time consuming and not easily replicated. As a new approach, in this work a Moessbauer spectrum of an iron specimen is obtained with the specimen at repose being its parameters the 'base parameters'. After that, the same specimen is subjected to an alternated stress-relaxation cycle at frequency {omega}{sub 1} and a new Moessbauer spectrum is obtained under this excited condition; doing the same at several increasing frequencies {omega}{sub n} in order to scan a wide frequencies spectrum. The differences between the Moessbauer parameters obtained at each excitation frequency and the base parameters are plotted against frequency, yielding an 'anelastic spectrum' that reveals the different dissipation mechanisms involved, its characteristic frequency and activation energy. Results are in good agreement with the obtained with other techniques

  3. The history of the Moessbauer effect

    CERN Document Server

    Miglierini, M

    2003-01-01

    The background of the discovery of the Moessbauer effect and the development of Moessbauer spectrometry as an analytical technique are highlighted. The basic principles and instrumentation, application fields, and trends of future progress and outlined and discussed

  4. Comparative study of the iron cores in human liver ferritin, its pharmaceutical models and ferritin in chicken liver and spleen tissues using Moessbauer spectroscopy with a high velocity resolution

    Energy Technology Data Exchange (ETDEWEB)

    Alenkina, I.V.; Semionkin, V.A. [Faculty of Physical Techniques and Devices for Quality Control, Ural Federal University, Ekaterinburg (Russian Federation); Faculty of Experimental Physics, Ural Federal University, Ekaterinburg (Russian Federation); Oshtrakh, M.I. [Faculty of Physical Techniques and Devices for Quality Control, Ural Federal University, Ekaterinburg (Russian Federation); Klepova, Yu.V.; Sadovnikov, N.V. [Faculty of Physiology and Biotechnology, Ural State Agricultural Academy, Ekaterinburg, (Russian Federation); Dubiel, S.M. [Faculty of Physics and Applied Computer Science, AGH University of Science and Technology, Krakow (Poland)

    2011-07-01

    Full text: Application of the Moessbauer spectroscopy with a high velocity resolution (4096 channels) for a study of iron-containing biological species is of great interest. Improving the velocity resolution allows to reveal small variations in the electronic structure of iron, and to obtain hyperfine parameters with smaller instrumental (systematic) errors in comparison with measurements performed in 512 channels or less. It also allows a more reliable fitting of complex Moessbauer spectra. In the present study the Moessbauer spectroscopy with the high velocity resolution was used for a comparative analysis of ferritin and its pharmaceutically important models as well as iron storage proteins in a chicken liver and a spleen. The ferritin, an iron storage protein, consists of a nanosized polynuclear iron core formed by a ferrihydrite surrounded by a protein shell. Iron-polysaccharide complexes contain {beta}-FeOOH iron cores coated with various polysaccharides. The Moessbauer spectra of the ferritin and commercial products Imferon, MaltoferR and Ferrum Lek as well as those of the chicken liver and spleen tissues were measured with the high velocity resolution at 295 and 90 K. They were fitted using two models: (1) with a homogeneous iron core (an approximation using one quadrupole doublet), and (2) with a heterogeneous iron core (an approximation using several quadrupole doublets). The model (1) can be used as the first approximation fit to visualize small variations in the hyperfine parameters. Using this model, differences in the Moessbauer hyperfine parameters were obtained in both 295 and 90 K Moessbauer spectra. However, this model was considered as a rough approximation because the measured Moessbauer spectra had non-Lorentzian line shapes. Therefore, the spectra of the ferritin, Imferon, MaltoferR and Ferrum Lek as well as those of the liver and spleen tissues were fitted again using the model (2) in which a different number of the quadrupole doublets was

  5. 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.

  6. {sup 57}Fe Moessbauer and X-ray Rietveld studies of ferrian prehnite from Kouragahana, Shimane Peninsula, Japan

    Energy Technology Data Exchange (ETDEWEB)

    Akasaka, Masahide; Hashimoto, Hideaki [Shimane Univ., Matsue (Japan). Dept. of Geoscience, Interdisciplinary Faculty of Science and Engineering; Makino, Kuniaki [Shinshu Univ., Matsumoto, Nagano (Japan). Dept. of Geology, Faculty of Science; Hino, Ryozi [Shimane Univ., Matsue (Japan). Dept. of Material Science, Interdisciplinary Faculty of Science and Engineering

    2003-02-01

    Fe-bearing prehnite, Ca{sub 2}Al{sub 2-p}Fe{sub p}Si{sub 3}O{sub 10} (OH){sub 2} (Z - 2), from Kouragahana, Shimane Peninsula, Japan, was investigated using {sup 57}Fe Moessbauer spectroscopy and X-ray Rietveld method. Iron and aluminum contents of the prehnite are variable, with p ranging from 0.003 to 0.425 (n = 97). Fe-poor and Al-rich prehnites generally grow over clusters of Fe-rich prehnite crystals. Intergrowth texture of Fe-poor and Fe-rich crystals is also common in spherical aggregates. The {sup 57}Fe Moessbauer spectrum consists of one doublet with isomer shift = 0.360 mm/s, quadrupole splitting = 0.276 mm/s and peak width = 0.310 mm/s. The doublet is assigned to Fe{sup 3+} in the octahedral site. X-ray Rietveld refinement was carried out using two structural models of space groups Pmna and Pma2. Results of the refinement are characterized by R-weighted pattern (R{sub wp}) = 9.30 %, 'Goodness-of-fit' indicator (S) = 1.276 and Durbin-Watson statistic d(D-W d) of 1.485 for the refinement in space group Pmna, and by R{sub wp} = 10.00 %, S = 1.367 and D-W d of 1.383 in space group Pma2, indicating that the fit of the former refinement is better than the latter. The refined Fe occupancies at the octahedral site in space groups Pmna and Pma2 are 0.16{+-}0.01 and 0.20{+-}0.01, respectively. In the Pmma-structure, the T2 site is occupied by Si{sub 0.5}Al{sub 0.5} with disordering scheme, and average T2-O distance is 1.668 A. In contrast, in the Pma2-structure, Al and Si are distributed in an ordered state in the T2 site, and average Al{sub T2}-O and Si{sub T2}-O distances are 1.72 and 1.61 A, respectively. Absence of Fe{sup 3+} from the tetrahedral site may be attributed to the small size for the cation and inflexible character of the T2 site. A very small quadrupole splitting of the Moessbauer doublet by Fe{sup 3+} in the octahedral site suggests the octahedral site has a highly symmetrical site-geometry. This is consistent with a more symmetrical

  7. High-pressure high-temperature rheological studies of colloidal suspensions with carbon nanotube

    Science.gov (United States)

    Baby, Anoop; Sadr, Reza; Yarc, Rommel; Amani, Mahmood

    2017-11-01

    Selection of the drilling fluid, drilling mud, is vital in minimizing the cost and time required for the drilling in oil fields. Drilling mud aids in cooling, lubricating drilling bit, removing the debries from the drill bore and maintaining the wellbore stability. Owing to the enhanced thermo-physical properties and stable nature, suspensions of nanoparticles have been suggested for drilling fluids. High-pressure and high-temperature rheology of a nanomud suspension (nano particles suspended in a mud solution) is studied here. The nanomud is prepared by dispersing a water-based drilling mud suspension (water with 1% Bentonite and 7% Barite particles) with multi-walled carbon nanotubes, MWCNT. The effect of pressure, temperature, and shear rate are independently studied for the various particle loading of the nanoparticles. Viscosity values are measured at a maximum pressure of 170MPa with temperatures ranging from ambient to 180oC. The effect of MWCNT concentration and variation in shear rate are also investigated A shear thinning non-Newtonian behavior is observed for the basemud and the nanomud samples for all cases. The basemud showed an increase in viscosity with an increase in pressure. However, with MWCNT particle addition, this trend is observed to have reversed.

  8. 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)

  9. 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.

  10. Modeling and Experimental Studies on Phase and Chemical Equilibria in High-Pressure Methanol Synthesis

    NARCIS (Netherlands)

    van Bennekom, Joost G.; Winkelman, Jozef G. M.; Venderbosch, Robertus H.; Nieland, Sebastiaan D. G. B.; Heeres, Hero J.

    2012-01-01

    A solution method was developed to calculate the simultaneous phase and chemical equilibria in high-pressure methanol synthesis (P = 20 MPa, 463

  11. High-pressure studies with x-rays using diamond anvil cells

    Energy Technology Data Exchange (ETDEWEB)

    Shen, Guoyin; Mao, Ho Kwang

    2016-11-22

    Pressure profoundly alters all states of matter. The symbiotic development of ultrahigh-pressure diamond anvil cells, to compress samples to sustainable multi-megabar pressures; and synchrotron x-ray techniques, to probe materials' properties in situ, has enabled the exploration of rich high-pressure (HP) science. In this article, we first introduce the essential concept of diamond anvil cell technology, together with recent developments and its integration with other extreme environments. We then provide an overview of the latest developments in HP synchrotron techniques, their applications, and current problems, followed by a discussion of HP scientific studies using x-rays in the key multidisciplinary fields. These HP studies include: HP x-ray emission spectroscopy, which provides information on the filled electronic states of HP samples; HP x-ray Raman spectroscopy, which probes the HP chemical bonding changes of light elements; HP electronic inelastic x-ray scattering spectroscopy, which accesses high energy electronic phenomena, including electronic band structure, Fermi surface, excitons, plasmons, and their dispersions; HP resonant inelastic x-ray scattering spectroscopy, which probes shallow core excitations, multiplet structures, and spin-resolved electronic structure; HP nuclear resonant x-ray spectroscopy, which provides phonon densities of state and time-resolved Mössbauer information; HP x-ray imaging, which provides information on hierarchical structures, dynamic processes, and internal strains; HP x-ray diffraction, which determines the fundamental structures and densities of single-crystal, polycrystalline, nanocrystalline, and non-crystalline materials; and HP radial x-ray diffraction, which yields deviatoric, elastic and rheological information. Integrating these tools with hydrostatic or uniaxial pressure media, laser and resistive heating, and cryogenic cooling, has enabled investigations of the structural, vibrational, electronic, and

  12. High-pressure studies with x-rays using diamond anvil cells

    Science.gov (United States)

    Shen, Guoyin; Mao, Ho Kwang

    2017-01-01

    Pressure profoundly alters all states of matter. The symbiotic development of ultrahigh-pressure diamond anvil cells, to compress samples to sustainable multi-megabar pressures; and synchrotron x-ray techniques, to probe materials’ properties in situ, has enabled the exploration of rich high-pressure (HP) science. In this article, we first introduce the essential concept of diamond anvil cell technology, together with recent developments and its integration with other extreme environments. We then provide an overview of the latest developments in HP synchrotron techniques, their applications, and current problems, followed by a discussion of HP scientific studies using x-rays in the key multidisciplinary fields. These HP studies include: HP x-ray emission spectroscopy, which provides information on the filled electronic states of HP samples; HP x-ray Raman spectroscopy, which probes the HP chemical bonding changes of light elements; HP electronic inelastic x-ray scattering spectroscopy, which accesses high energy electronic phenomena, including electronic band structure, Fermi surface, excitons, plasmons, and their dispersions; HP resonant inelastic x-ray scattering spectroscopy, which probes shallow core excitations, multiplet structures, and spin-resolved electronic structure; HP nuclear resonant x-ray spectroscopy, which provides phonon densities of state and time-resolved Mössbauer information; HP x-ray imaging, which provides information on hierarchical structures, dynamic processes, and internal strains; HP x-ray diffraction, which determines the fundamental structures and densities of single-crystal, polycrystalline, nanocrystalline, and non-crystalline materials; and HP radial x-ray diffraction, which yields deviatoric, elastic and rheological information. Integrating these tools with hydrostatic or uniaxial pressure media, laser and resistive heating, and cryogenic cooling, has enabled investigations of the structural, vibrational, electronic, and

  13. Modeling studies on divorced eutectic formation of high pressure die cast magnesium alloy

    Directory of Open Access Journals (Sweden)

    Meng-wu Wu

    2018-01-01

    Full Text Available The morphology and content of the divorced eutectic in the microstructure of high pressure die casting (HPDC magnesium alloy have a great influence on the final performance of castings. Based on the previous work concerning simulation of the nucleation and dendritic growth of primary α-Mg during the solidification of magnesium alloy under HPDC process, an extension was made to the formerly established CA (Cellular Automaton model with the purpose of modeling the nucleation and growth of Mg-Al eutectic. With a temperature field and solute field obtained during simulation of the primary α-Mg dendrites as the initial condition of the modified CA model, modeling of the Mg-Al eutectic with a divorced morphology was achieved. Moreover, the simulated results were in accordance with the experimental ones regarding the distribution and content of the divorced eutectic. Taking a "cover-plate" die casting with AM60 magnesium alloy as an example, the rapid solidification with a high cooling rate at the surface layer of the casting led to a fine and uniform grain size of primary α-Mg, while the divorced eutectic at the grain boundary revealed a more dispersed and granular morphology. Islands of divorced eutectic were observed at the central region of the casting, due to the existence of ESCs (Externally Solidified Crystals which contributed to a coarse and non-uniform grain size of primary α-Mg. The volume percentage of the eutectic β-Mg17Al12 phase is about 2%-6% in the die casting as a whole. The numerical model established in this study is of great significance to the study of the divorced eutectic in the microstructure of die cast magnesium alloy.

  14. Structural evolution behavior of manganese monophosphide under high pressure: experimental and theoretical study

    Science.gov (United States)

    Yu, Zhenhai; Wu, Wei; Lu, Pengchao; Zhao, Jinggeng; Cheng, Jinguang; Hu, Qingyang; Yuan, Ye; Li, Xin; Pei, Cuiying; Chen, Fengjiao; Yan, Zhipeng; Yan, Shuai; Yang, Ke; Sun, Jian; Luo, Jianlin; Wang, Lin

    2017-06-01

    The influence of external pressure on the structural properties of manganese monophosphides (MnP) at room temperature has been studied using in situ angle dispersive synchrotron x-ray powder diffraction (AD-XRD) with a diamond anvil cell. The crystal structure of MnP is stable between 0 to 15 GPa. However, the compressibility of b-axis is much larger than those of a- and c-axes. From this result we suggested that the occurrence of superconductivity in MnP was induced by suppression of the long-range antiferromagnetically ordered state rather than a structural phase transition. Furthermore, the present experimental results show that the Pnma phase of MnP undergoes a pressure-induced structural phase transition at ~15.0 GPa. This finding lighted up-to-date understanding of the common prototype B31 structure (Strukturbericht Designation: B31) in transition metal monophosphides. No additional structural phase transition was observed up to 35.1 GPa (Run 1) and 40.2 GPa (Run 2) from the present AD-XRD results. With an extensive crystal structure searching and ab initio calculations, we predict that MnP underwent two pressure-induced structural phase transitions of Pnma  →  P213 and P213  →  Pm-3m (CsCl-type) at 55.0 and 92.0 GPa, respectively. The structural stability and the electronic structures of manganese monophosphides under high pressure are also briefly discussed.

  15. Using high pressure to study thermal transport and phonon scattering mechanisms

    Science.gov (United States)

    Hohensee, Gregory Thomas

    defects are alike in how they scatter phonons and reduce the thermal conductivity of mixed crystals. Heat-carrying phonons in iron (Fe) doped MgO, or [Mg,Fe]O ferropericlase, are known to be resonantly scattered by interaction with a 3.3 THz electronic transition in the high-spin state of the Fe impurities. At sufficiently high pressures, the Fe atoms transition from a high-spin to a low-spin state, which eliminates the resonant interaction and reduces the Fe atoms to simpler point defect phonon scatterers. To study the behavior of phonon-defect scattering with and without this resonant scattering process, I measured the thermal conductivity of Mg0.92Fe0.08 O ferropericlase up to and above the 40--60 GPa spin transition. Fe-doped MgO (ferropericlase) is also a model system relevant to geophysical modeling of the Earth's core-mantle boundary, so data on its thermal transport under pressure is valuable in itself. (Abstract shortened by UMI.).

  16. Study on loading path optimization of internal high pressure forming process

    Science.gov (United States)

    Jiang, Shufeng; Zhu, Hengda; Gao, Fusheng

    2017-09-01

    In the process of internal high pressure forming, there is no formula to describe the process parameters and forming results. The article use numerical simulation to obtain several input parameters and corresponding output result, use the BP neural network to found their mapping relationship, and with weighted summing method make each evaluating parameters to set up a formula which can evaluate quality. Then put the training BP neural network into the particle swarm optimization, and take the evaluating formula of the quality as adapting formula of particle swarm optimization, finally do the optimization and research at the range of each parameters. The results show that the parameters obtained by the BP neural network algorithm and the particle swarm optimization algorithm can meet the practical requirements. The method can solve the optimization of the process parameters in the internal high pressure forming process.

  17. [Study of quartz's Roman spectrum at high pressure and room temperature].

    Science.gov (United States)

    Li, Yue; Yan, Shi-Yong; Chen, Yong

    2011-08-01

    Phase transition of quartz is widely used in the high pressure experiment as the standard of pressure correcting of the laboratory instrument. And the quartz is usually used as the pressure sensor in the experiment when the pressure is low. Christian S et al discussed the function between the pressure and the shift of quartz's Raman spectrum peak when the shift isn't exceeding 20 cm(-1). In order to extend the applying range, the authors discussed the function again using the diamond anvil cell, and used ruby as the pressure sensor which is widely used in the high pressure experiment. After discussing the function, we obtained a new function that is P(MPa) = -1.094 83E7 + 67 495.237 31 X DeltaV-138.706 91(DeltaV)2 + 0.095 04 (DeltaV)3 which is different from the Christian's function.

  18. High pressure structural changes in aluminium triiodide: A first principles study

    Science.gov (United States)

    Majumdar, Arnab; Klug, Dennis D.; Yao, Yansun

    2016-03-01

    First principles calculations identified a phase transition in aluminium triiodide (AlI3) and predicted its physical and spectroscopic properties under high pressure conditions. A high pressure monoclinic phase is predicted to exist above 1.3 GPa accompanied with a coordination change of aluminium resulting from a transformation from the ambient pressure 4-coordinated primitive monoclinic phase with space group P21/c to the monoclinic 6-coordinated structure with space group C2/m. Density functional phonon calculations predicted its dynamical and mechanical stability. Infrared effective charge intensities and Raman scattering tensors were obtained to characterize its spectroscopic properties. First-principles metadynamics simulations were employed to reconstruct this phase transition and provide the mechanism details for energetically favourable path from the ambient pressure P21/c structure to the predicted C2/m structure.

  19. High-pressure studies on Ba-doped cobalt perovskites by neutron diffraction

    Science.gov (United States)

    Cao, Huibo; Garlea, Vasile; Wang, Fangwei; Dos Santos, Antonio; Cheng, Zhaohua

    2012-02-01

    Cobalt perovskite possess rich structural, magnetic and electrical properties depending on the subtle balance of the interactions among the spin, charge, and orbital degrees of freedom. Divalent hole-doped cobalt perovskites LaA^2+CoO3 exhibit structural phase transitions, metal-insulator transitions, and multi-magnetic phase transitions. High-pressure measurement is believed to mimic the size effects of the doped ions. We performed neutron diffraction experiments on selected Ba-doped LaCoO3 under pressures up to 6.3 GPa at SNAP at Spallation Neutron Source of ORNL. This work focuses on the high-pressure effects of the selected Ba-doped samples and the change of the phase diagram with pressure.

  20. Raman and IR studies of polymorphism in n-hexanol at high pressure and low temperature

    Science.gov (United States)

    Ren, Yufen; Cheng, Xuerui; Zhu, Xiang; Yang, Kun; Wang, Yongqiang; Yuan, Chaosheng

    2017-09-01

    As one important organic molecule, the structure stability and polymorphism of n-hexanol (C6H14O) have been investigated at low temperature and high pressure using in situ Raman and infrared spectroscopy. The existence of three polymorphs is observed for n-hexanol in this work. The liquid n-hexanol converts to the monoclinic γ-phase structure at 203 K and 0.8 GPa respectively. Additional changes are observed in spectra at 3.0 and 7.3 GPa, because of two additional phase transitions to monoclinic β-phase structures. In addition, conformational change between trans and gauche is also observed accompanied by the phase transitions. Moreover, hydrogen-bond formation and its response to the external pressure are confirmed from infrared spectra. Finally, the phase transitions under high pressure and low temperature are reversible. These results are helpful for understanding of structure transition under external condition for n-alcohols and other organic molecules.

  1. 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

  2. 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...

  3. First-principles study of ternary Li-Al-Te compounds under high pressure

    Science.gov (United States)

    Wang, Youchun; Tian, Fubo; Li, Da; Duan, Defang; Xie, Hui; Liu, Bingbing; Zhou, Qiang; Cui, Tian

    2018-02-01

    The ternary Li-Al-Te compounds were investigated by the first-principle evolutionary calculation based on density function theory. Apart from the known structure, I-42d LiAlTe2 and P3m1 LiAlTe2, several new structures were discovered, P-3m1 LiAlTe2, Pnma LiAlTe2, C2/c Li9AlTe2, Immm Li9AlTe2 and P4/mmm Li6AlTe. We determined that the I-42d LiAlTe2 firstly changed to P-3m1 phase at 6 GPa, and then into the Pnma structure at 65 GPa, Pnma phase was stable up at least to 120 GPa. I-42d LiAlTe2 was a pseudo-direct band gap semiconductor, but P-3m1 LiAlT2 was an indirect band gap semiconductor. This may be caused by the pressure effect. Subsequently, it was metallized under pressure. Pnma LiAlTe2 was also metallic at the pressure we studied. C2/c Li9AlTe2 was stable above 4 GPa, then turned into Immm phase at 60 GPa. C2/c Li9AlTe2 was an indirect band gap semiconductor. The results show that P4/mmm Li6AlTe was stable and metallized in the pressure range of 0.7-120 GPa. The calculations of DOS and PDOS indicate that the arrangement of electrons near Fermi energy can be affected by the increase of Li. The calculated ELF results and Bader charge analysis indicate that there was no covalent bond between Al and Te atoms for high-pressure Pnma LiAlTe2, Li9AlTe2 and Li6AlTe. For Li9AlTe2 and Li6AlTe, different from LiAlTe2, Al atoms not connect with Te atoms, but link with Li atoms. The results were further proved by Mulliken population analysis. And the weak covalent bonds between Li and Al atoms stem from the hybridization of Li s and Al p presented in PDOS diagrams. We further deduced that the pressure effect and the increase of Li content may result in the disappearance of Al-Te bonds for Li-Al-Te compound under extreme pressure.

  4. A numerical study on high-pressure water-spray cleaning for CSP reflectors

    Science.gov (United States)

    Anglani, Francesco; Barry, John; Dekkers, Willem

    2016-05-01

    Mirror cleaning for concentrated solar thermal (CST) systems is an important aspect of operation and maintenance (O&M), which affects solar field efficiency. The cleaning process involves soil removal by erosion, resulting from droplet impingement on the surface. Several studies have been conducted on dust accumulation and CSP plant reflectivity restoration, demonstrating that parameters such as nozzle diameter, jet impingement angle, interaxial distance between nozzles, standoff distance, water velocity, nozzle pressure and others factors influence the extent of reflectance restoration. In this paper we aim at identifying optimized cleaning strategies suitable for CST plants, able to restore mirror reflectance by high-pressure water-spray systems through the enhancement of shear stress over reflectors' surface. In order to evaluate the forces generated by water-spray jet impingement during the cleaning process, fluid dynamics simulations have been undertaken with ANSYS CFX software. In this analysis, shear forces represent the "critical phenomena" within the soil removal process. Enhancing shear forces on a particular area of the target surface, varying the angle of impingement in combination with the variation of standoff distances, and managing the interaxial distance of nozzles can increase cleaning efficiency. This procedure intends to improve the cleaning operation for CST mirrors reducing spotted surface and increasing particles removal efficiency. However, turbulence developed by adjacent flows decrease the shear stress generated on the reflectors surface. The presence of turbulence is identified by the formation of "fountain regions" which are mostly responsible of cleaning inefficiency. By numerical analysis using ANSYS CFX, we have modelled a stationary water-spray system with an array of three nozzles in line, with two angles of impingement: θ = 90° and θ = 75°. Several numerical tests have been carried out, varying the interaxial distance of

  5. High pressure experimental study of eclogite with varying H2O contents

    Science.gov (United States)

    Rosenthal, A.; Frost, D. J.; Petitgirard, S.; Yaxley, G. M.; Berry, A.; Woodland, A. B.; Pinter, Z.; Vasilyev, P.; Ionov, D. A.; Jacob, D. E.; Pearson, G. D.; Kovacs, I.; Padron-Navarta, A.

    2014-12-01

    Given the strong influence of volatiles on mantle melting processes, it is critical to understand the behaviour of volatiles (such as H2O) in subducted oceanic crustal material (eclogite) during subduction and subsequent recycling and mantle melting processes, and their impacts on volcanism. As natural samples from subduction zones from the deep Earth's interior are largely inaccessible, the only way to determine the H2O content of eclogite is to simulate high pressure (P) and temperature (T) conditions equivalent to conditions of the Earth's interior using high-P experimental facilities. A particular interest is to determine the H2O content of eclogitic nominally anhydrous minerals (NAMs; such as garnet, clinopyroxene) at the conditions where hydrous phases (such as phengite) are breaking down to release H2O that would then leave the slab. As a starting material, we use average oceanic basalt (GA1, representative of recycled oceanic crust [1]) with varying bulk %H2O (≤7 wt.%). We conducted experiments using GA1 at different P's (6-10 GPa), T's (850-1500°C) and bulk %H2O (up to 7 wt.%) using multi anvil apparatuses. The run products at each P, T, and bulk H2O contents show well-equilibrated eclogitic phase assemblages of garnet ± clinopyroxene ± coesite/stishovite ± rutile ± phengite ± melt ± vapour. Runs (>0.5 wt.% H2O) at 6 GPa and up to ~950°C, and at 8-9 GPa and up to ~1050°C are subsolidus, while towards higher T small melt fractions appear. Similar to previous studies [e.g. 2-6], the stability of phengite varies as a function of P, T, buffering mineral paragenesis and bulk H2O concentration. Phengite breaks down >9 GPa. Eclogitic NAMs and phengite also break down at subsolidus conditions in the presence of excess of hydrous fluids. For instance, K2O in phengite and clinopyroxene decrease with increasing bulk H2O content at subsolidus conditions at given P, T, suggesting a leaching role of K2O by a vapour-rich fluid. [1] Yaxley, G. M. & Green, D. H

  6. Relativistic coupled-cluster and density-functional studies of argon at high pressure

    Science.gov (United States)

    Schwerdtfeger, Peter; Steenbergen, Krista G.; Pahl, Elke

    2017-06-01

    The equation of state P (V ,T ) for solid argon is determined by the calculation of accurate static and vibrational terms in the free energy. The static component comes from a quantum theoretical many-body expansion summing over all energetic contributions from two-, three-, and four-body fragments treated with relativistic coupled cluster theory, while the lattice vibrations are described at an anharmonic level including two- and three-body forces as well as temperature effects. The dynamic part is calculated within the Debye and Einstein approximation, as well as by a more accurate phonon treatment where the vibrational motions in the lattice are coupled. Our results are in good agreement with room-temperature high-pressure experimental data up to ˜20 GPa. In the 20-100 GPa pressure range, however, we see considerable deviations between experiment and theory, perhaps indicating missing four-body contributions (beyond the quadruple dipole terms included here), missing five and higher-body effects, and the need to go beyond the coupled cluster singles-doubles with perturbative triples treatment in such higher-body forces. This contrasts with the results for solid neon, where excellent agreement has been achieved taking only two- and three-body forces into account [P. Schwerdtfeger and A. Hermann, Phys. Rev. B 80, 064106 (2009), 10.1103/PhysRevB.80.064106]. We demonstrate that the phase transition from fcc to hcp cannot account for the large discrepancies observed. Density functional calculations give very mixed results in the high-pressure region, but some functionals such as optB88-vdW (proposed by Lundqvist and co-workers) describe the many-body forces in argon reasonably well over the range of pressures investigated. Theoretical investigations of the heavier rare gas solids reaching experimental accuracy in the high-pressure regime therefore remain a significant challenge.

  7. 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.

  8. Study of the drift properties of high pressure drift tubes for the ATLAS muon spectrometer

    CERN Document Server

    Branchini, Paolo; Ceradini, Filippo; Graziani, Enrico; Iodice, Mauro; Orestano, Domizia; Passeri, Antonio; Petrucci, Fabrizio; Tagliaventi, S; Tonazzo, Alessandra

    2004-01-01

    High pressure drift tubes chambers, MDT, are used as precision tracking detectors in the muon spectrometer of the ATLAS experiment at the Large Hadron Collider. MDT chambers, operated at 3 bar absolute pressure with 93% argon 7% carbon dioxide gas mixture, were tested with cosmic rays at the Roma TRE test site and their properties upon variations of the operating conditions are discussed. The possibility to improve the tube spatial resolution measuring a fraction of the collected charge, exploiting the final version of the MDT read-out electronics, is considered.

  9. High pressure in situ diffraction studies of metal-hydrogen systems

    Energy Technology Data Exchange (ETDEWEB)

    Yartys, V.A., E-mail: volodymyr.yartys@ife.no [Institute for Energy Technology, Kjeller NO 2027 (Norway); Norwegian University of Science and Technology, Trondheim NO 7491 (Norway); Denys, R.V. [Institute for Energy Technology, Kjeller NO 2027 (Norway); Karpenko Physico-Mechanical Institute, NAS of Ukraine, Lviv 79601 (Ukraine); Webb, C.J. [Queensland Micro- and Nanotechnology Centre, Griffith University (Australia); Maehlen, J.P. [Institute for Energy Technology, Kjeller NO 2027 (Norway); Gray, E. MacA.; Blach, T. [Queensland Micro- and Nanotechnology Centre, Griffith University (Australia); Isnard, O. [Institute Neel, CNRS/UJF, 38042 Grenoble (France); Barnsley, L.C. [Queensland Micro- and Nanotechnology Centre, Griffith University (Australia)

    2011-09-15

    Research highlights: > CeNi{sub 5}-D{sub 2} and Zr(Fe,Al){sub 2}-D{sub 2} systems were studied by in situ NPD at P up to 1000 bar. > In the hexagonal CeNi{sub 5}D{sub 6.3} deuterium atoms fill three types of interstices. > In the Zr(Fe,Al){sub 2}-based deuterides D atoms occupy the Zr(Fe,Al){sub 2} tetrahedra only D/Zr(Fe,Al){sub 2}, hysteresis and hydrides stability systematically change with Al content. - Abstract: 'Hybrid' hydrogen storage, where hydrogen is stored in both the solid material and as a high pressure gas in the void volume of the tank can improve overall system efficiency by up to 50% compared to either compressed hydrogen or solid materials alone. Thermodynamically, high equilibrium hydrogen pressures in metal-hydrogen systems correspond to low enthalpies of hydrogen absorption-desorption. This decreases the calorimetric effects of the hydride formation-decomposition processes which can assist in achieving high rates of heat exchange during hydrogen loading-removing the bottleneck in achieving low charging times and improving overall hydrogen storage efficiency of large hydrogen stores. Two systems with hydrogenation enthalpies close to -20 kJ/mol H{sub 2} were studied to investigate the hydrogenation mechanism and kinetics: CeNi{sub 5}-D{sub 2} and ZrFe{sub 2-x}Al{sub x} (x = 0.02; 0.04; 0.20)-D{sub 2}. The structure of the intermetallics and their hydrides were studied by in situ neutron powder diffraction at pressures up to 1000 bar and complementary X-ray diffraction. The deuteration of the hexagonal CeNi{sub 5} intermetallic resulted in CeNi{sub 5}D{sub 6.3} with a volume expansion of 30.1%. Deuterium absorption filled three different types of interstices, Ce{sub 2}Ni{sub 2} and Ni{sub 4} tetrahedra, and Ce{sub 2}Ni{sub 3} half-octahedra and was accompanied by a valence change for Ce. Significant hysteresis was observed between deuterium absorption and desorption which profoundly decreased on a second absorption cycle. For the Al

  10. 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.

  11. 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...

  12. Very High Pressure Single Pulse Shock Tube Studies of Aromatic Species

    Energy Technology Data Exchange (ETDEWEB)

    Brezinsky, K.

    2006-11-28

    The principal focus of this research program is aimed at understanding the oxidation and pyrolysis chemistry of primary aromatic molecules and radicals with the goal of developing a comprehensive kinetic model at conditions that are relevant to practical combustion devices. A very high pressure single pulse shock tube is used to obtain experimental data over a wide pressure range in the high pressure regime, 5-1000 bars, at pre-flame temperatures for fuel pyrolysis and oxidation over a broad spectrum of equivalence ratios. Stable species sampled from the shock tube are analyzed using standard chromatographic techniques using GC/MS-PDD and GC/TCD-FID. Experimental data from the HPST (stable species profiles) and data from other laboratories (if available) are simulated using kinetic models (if available) to develop a comprehensive model that can describe aromatics oxidation and pyrolysis over a wide range of experimental conditions. The shock tube has been heated (1000C) recently to minimize effects due to condensation of aromatic, polycyclic and other heavy species. Work during this grant period has focused on 7 main areas summarized in the final technical report.

  13. Trimethylamine-N-oxide's effect on polypeptide solvation at high pressure: a molecular dynamics simulation study.

    Science.gov (United States)

    Sarma, Rahul; Paul, Sandip

    2013-08-01

    The solvation characteristics of a 15-residue polypeptide and also the structure of the solution in the presence and absence of trimethylamine-N-oxide (TMAO), one of the strongest known protein stabilizers among the natural osmolytes both at low and high pressures, are investigated under high pressure conditions by employing the molecular dynamics simulation technique. The goal is to provide a molecular level understanding of how TMAO protects proteins at elevated pressures. Two different conformations of the polypeptide are used: helix and extended. Analysis of peptide hydration characteristics reveals that the pressure-induced enhancement of hydration number is higher for the extended state as compared to the helix. TMAO shows an opposite effect and causes more dehydration of the extended state. The total number of atomic sites that solvate peptide residues increases in the presence of TMAO, whereas the number of hydrogen bonds formed by peptide with solution species reduces due to the inability of TMAO to donate its hydrogen to peptide hydrogen bonding sites. In solution, both hydrophobic and hydrogen bonding sites of TMAO are found to be well solvated by water molecules and solvation of TMAO enhances water structure and reduces the number of nearest identical neighbors for water. Pressure and TMAO are seen to have counteracting effects on water structural properties. Implications of these results for counteracting mechanism of TMAO are discussed.

  14. The Miniaturized Moessbauer Spectrometer MIMOS II for the Asteroid Redirect Mission(ARM): Quantative Iron Mineralogy And Oxidation States

    Science.gov (United States)

    Schroeder, C.; Klingelhoefer, G; Morris, R. V.; Yen, A. S.; Renz, F.; Graff, T. G.

    2016-01-01

    The miniaturized Moessbauer spectrometer MIMOS II is an off-the-shelf instrument with proven flight heritage. It has been successfully deployed during NASA’s Mars Exploration Rover (MER) mission and was on-board the UK-led Beagle 2 Mars lander and the Russian Phobos-Grunt sample return mission. A Moessbauer spectrometer has been suggested for ASTEX, a DLR Near-Earth Asteroid (NEA) mission study, and the potential payload to be hosted by the Asteroid Redirect Mission (ARM). Here we make the case for in situ asteroid characterization with Moessbauer spectroscopy on the ARM employing one of three available fully-qualified flight-spare Moessbauer instruments.

  15. (Gamma scattering in condensed matter with high intensity Moessbauer radiation)

    Energy Technology Data Exchange (ETDEWEB)

    1992-01-01

    This report discusses: quasielastic scattering studies on glycerol; gamma-ray scattering from alkali halides; lattice dynamics in metals; Moessbauer neutron scattering, x-ray diffraction, and macroscopic studies of high {Tc} superconductors containing tungsten; NiAl scattering studies; and atomic interference factors and nuclear Casimir effect.

  16. A Numerical and Experimental Study of Flow Behavior in High Pressure Die Casting

    Science.gov (United States)

    Saeedipour, Mahdi; Schneiderbauer, Simon; Pirker, Stefan; Bozorgi, Salar

    High pressure die casting (HPDC) is one of the most important and yet little known manufacturing methods especially during liquid metal injection and filling phase. During its application different problems can arise: on the one hand, wavy disintegration of the jet might result in cold shut defect in the final product, on the other hand a high degree of atomization may strongly increase the porosity defect. A numerical simulation using volume of fluid approach (VOF), is carried out to model the global spreading of liquid metal jet. The formation of droplets, which are usually smaller than the grid spacing in computational domain, is determined by a surface energy-based criterion. An Eulerian-Lagrangian framework is introduced to track and model the droplets after formation. Since liquid metal is hardly to access, we performed experiments based on water analogy to capture the flow regime changes and drop formation. The comparison between numerical results and experiments shows a very good agreement.

  17. High pressure Raman scattering study on Sm2Mo4O15 system

    Science.gov (United States)

    Silva Santos, S. D.; Paraguassu, W.; Maczka, M.; Freire, P. T. C.

    2017-03-01

    High-pressure Raman experiments were performed on Sm2Mo4O15 system up to 7.9 GPa. We show that this system exhibits an irreversible structural amorphization at 5.0 GPa. In contrast to any other molybdates and tungstates experiencing pressure-induced amorphization, this structural change in Sm2Mo4O15 has strongly first-order character. This amorphous phase can be originated from the hindrance of a crystalline structural phase transition from the P 1 bar to P2/m structure. Additionally, the assignment of Raman modes of the ambient-pressure phase of Sm2Mo4O15 was proposed based on lattice dynamics calculations.

  18. High-pressure x-ray absorption spectroscopy study of tin tungstates

    Science.gov (United States)

    Kuzmin, A.; Anspoks, A.; Kalinko, A.; Timoshenko, J.; Kalendarev, R.; Nataf, L.; Baudelet, F.; Irifune, T.

    2015-09-01

    Room-temperature pressure-dependent (0-25 GPa) x-ray absorption spectroscopy at the W {L}{1,3}-edges of α-SnWO4 and β-SnWO4 was performed using a dispersive setup and a high-pressure nanodiamond anvil cell. The detailed analysis of experimental x-ray absorption near-edge structure and extended x-ray absorption fine structure data suggests that upon increasing pressure, a displacement of tungsten atoms by about 0.2 Å toward the center of the WO6 octahedra occurs in α-SnWO4, whereas the coordination of tungsten atoms changes from tetrahedral to distorted octahedral in β-SnWO4.

  19. Comparative Study of Reynolds Averaged and Embedded Large Eddy Simulations of a High Pressure Turbine Stage

    Science.gov (United States)

    Jones, Sam; Jemcov, Aleksandar; Corke, Thomas

    2016-11-01

    An Embedded Large Eddy Simulation (ELES) approach is used to simulate the flow path through a high pressure turbine stage that includes the entry duct, stationary inlet and exit guide vanes, and a rotor. The flowfield around the rotor is simulated using LES. A Reynolds Averaged Simulation (RAS) is used for the rest of the flow domain. The interface between RAS and LES domains uses the RAS turbulence quantities as a means of obtaining length scales that are used in computing the vorticity required to trigger a proper energy cascade within the LES part of the flow field. The objective is to resolve the unsteady vortical motions that eminate from the gap between the rotor tip and duct walls that are presumably under-resolved in a RAS approach. A comparative analysis between RAS and ELES approaches for this turbomachinery problem is then presented. APS Fellow.

  20. 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).

  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...... 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. Volumetric properties underlying ligand binding in a monomeric hemoglobin: a high-pressure NMR study.

    Science.gov (United States)

    Dellarole, Mariano; Roumestand, Christian; Royer, Catherine; Lecomte, Juliette T J

    2013-09-01

    The 2/2 hemoglobin of the cyanobacterium Synechococcus sp. PCC 7002, GlbN, coordinates the heme iron with two histidines and exists either with a b heme or with a covalently attached heme. The binding of exogenous ligands displaces the distal histidine and induces a conformational rearrangement involving the reorganization of internal void volumes. The formation of passageways within the resulting conformation is thought to facilitate ligand exchange and play a functional role. Here we monitored the perturbation induced by pressure on the ferric bis-histidine and cyanide-bound states of GlbN using (1)H-(15)N HSQC NMR spectroscopy. We inspected the outcome with a statistical analysis of 170 homologous 2/2 hemoglobin sequences. We found that the compression landscape of GlbN, as represented by the variation of an average chemical shift parameter, was highly sensitive to ligand swapping and heme covalent attachment. Stabilization of rare conformers was observed at high pressures and consistent with cavity redistribution upon ligand binding. In all states, the EF loop was found to be exceptionally labile to pressure, suggesting a functional role as a semi-flexible hinge between the adjacent helices. Finally, coevolved clusters presented a common pattern of compensating pressure responses. The high-pressure dissection combined with protein sequence analysis established locations with volumetric signatures relevant to residual communication of 2/2 hemoglobins. This article is part of a Special Issue entitled: Oxygen Binding and Sensing Proteins. Copyright © 2013 Elsevier B.V. All rights reserved.

  3. Moessbauer spectroscopy of Fe-B based amorphous alloys

    Energy Technology Data Exchange (ETDEWEB)

    Kreislerova, Y.; Zemcik, T. (Ceskoslovenska Akademie Ved, Brno. Ustav Fyzikalni Metalurgie)

    1984-01-01

    The influence of heat treatment on structure changes of amorphous alloy Fe/sub 83/B/sub 17/ was studied by /sup 57/Fe Moessbauer spectroscopy. At 613 K a change in the magnetization direction was detected and at 633 K the precipitation of ..cap alpha..-Fe quantitatively determined.

  4. 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.

  5. Experimental and Simulation Studies of Strength and Fracture Behaviors of Wind Turbine Bearing Steel Processed by High Pressure Torsion

    Directory of Open Access Journals (Sweden)

    Ning Wang

    2016-12-01

    Full Text Available White structure flaking (WSF has been found to be one of the failure modes in bearing steels under rolling contacts through the formation of cracks associated with a microstructural change called white etching area (WEA. In the present research, the effects of the high-pressure torsion (HPT process on the microstructure and mechanical properties of an AISI 52100 alloy are studied. An annealed AISI 52100 was subjected to high-pressure torsion at room temperature under a pressure of up to ~6 GPa for up to three turns. Finite-element modeling (FEM was used to simulate the process under high-pressure torsion and quasi-constrained conditions to reveal the material property changes occurring in HPT. Scanning electron microscopy and microhardness testing after processing were used to investigate the microstructural and mechanical property evolution of the steel. Strain induced microstructural transformations occur and affect the mechanical properties in a similar way to the well-known white etching area (WEA found beneath the surface of wind turbine bearings. Here, HPT is used to study the feasibility of creating microstructural changes that are similar to WEA. This paper presents the preliminary results of using HPT to produce WEAs.

  6. Phonon transport in Na2He at high pressure from a first-principles study

    Science.gov (United States)

    Guo, San-Dong; Zhang, Ai-Xia

    2017-04-01

    Phonon transport of recently fabricated Na2He at high pressure is investigated from a combination of first-principles calculations and the linearized phonon Boltzmann equation within the single-mode relaxation time approximation. The calculated room-temperature lattice thermal conductivity is 149.19 W m-1 K-1, which is very close to that of Si. It is found that low-frequency optical modes comprise 16% of the lattice thermal conductivity, while high-frequency optical modes have negligible contribution. The high lattice thermal conductivity is due to large group velocities, small Grüneisen parameters, and long phonon lifetimes. The size effects on lattice thermal conductivity are considered by cumulative thermal conductivity with respect to the phonon mean free path. To significantly reduce the lattice thermal conductivity, the characteristic length smaller than 100 nm is required and can reach a decrease of 36%. These results may be useful to understand thermal transport processes that occur inside giant planets.

  7. 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 (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.

  8. High-pressure X-ray and Raman study of a ferrian magnesian spodumene

    Science.gov (United States)

    Gatta, G. Diego; Ballaran, Tiziana Boffa; Iezzi, Gianluca

    2005-06-01

    The high-pressure behaviour of a synthetic P21/c ferrian magnesian spodumene, M2 (Li0.85Mg0.09Fe2+ 0.06)M1(Fe3+ 0.85Mg0.15)Si2O6, has been investigated using in situ single-crystal X-ray diffraction and Raman spectroscopy. No phase transition has been observed within the pressure range investigated. The isothermal equation of state up to 7 GPa was determined. V0, KT0 and K’, simultaneously refined with a Murnaghan equation of state, are: V0= 415.66(7) Å3, KT0=83(1) GPa and K’=9.6(6). The magnitudes of the principal unit-strain coefficients were calculated and their ratios ɛ1:ɛ2:ɛ3=1.00:1.85:2.81 at P=6.83 GPa indicate a very strong anisotropy. Monitoring of the intensity of b-type reflections (h+k= 2n+1) confirms that from room conditions up to 7 GPa the primitive lattice is maintained. Raman spectra have been collected up to 7.4 GPa. No change in the number of observed vibrational modes occurs in the pressure range investigated. At high frequency, the Raman doublet relative to the Si O Si vibrations of the two distinct tetrahedral chains is a broad band at room pressure, however, the frequency difference between the two modes increases with increasing pressure.

  9. Crystallization and Moessbauer studies of the Fe sub 7 sub 8 Al sub 4 Nb sub 5 B sub 1 sub 2 Cu sub 1 alloy

    CERN Document Server

    Kim, C S; Kim, S B; Park, J Y; Kim, K Y; Noh, T H; Oak, H N

    1998-01-01

    A melt-spun Fe sub 7 sub 8 Al sub 4 Nb sub 5 B sub 1 sub 2 Cu sub 1 alloy with an ultra-thin ribbon has been studied by x-ray diffraction, Moessbauer spectroscopy, and vibrating sample magnetometry. The average hyperfine field H sub h sub f (T) of the amorphous state shows temperature dependence of [H sub h sub f (T) - H sub h sub f (0)]/H sub h sub f (0) -0.53(T/T sub c) sup 3 sup / sup 2 - 0.21(T/T sub c < 0.7, indicative of spin-wave excitation. The quadrupole splitting just above the Curie temperature Tc is 0.42 mm/s, whereas the quadrupole shift below T sub c is zero. The Curie and the crystallization temperature are T sub c = 450 K and T sub x = 703 K, respectively, for a heating rate of 5 K/min. The occupied area ratio of the alpha-Fe phase flash-annealed at 723 K is 59% and remains unchanged. The crystallization temperature of the flash-annealed alloy becomes lower, and the formation of an alpha-Fe is easier than that of the conventional alloy. The flash-annealing technique is effective in improvin...

  10. Moessbauer and NMR study of Heusler alloy Co{sub 2}Mn{sub 1-x}Fe{sub x}Si

    Energy Technology Data Exchange (ETDEWEB)

    Ksenofontov, Vadim; Kandpal, Hem C.; Balke, Benjamin; Felser, Claudia [Institut fuer Anorganische Chemie und Analytische Chemie, Johannes Gutenberg Univ. Mainz (Germany); Wojcik, Marek [Institute of Physics, Polish Academy of Sciences, Warszawa (Poland)

    2007-07-01

    The Heusler alloys Co{sub 2}Mn{sub 1-x}Fe{sub x}Si have recently attracted particular interest due to the unique possibility to tune the spin polarization by varying the Mn/Fe fraction. The calculated band structures show the shift of the Fermi energy from the top of the minority valence band for Co{sub 2}MnSi to the bottom of the minority conduction band for Co{sub 2}FeSi upon Fe doping. From computational results it has been predicted that a compound with an intermediate Fe concentration of about 50% should be best suited for spintronic applications. These theoretical findings still require experimental proofs. We report on 57 Fe Moessbauer spectroscopic, {sup 59}Co and {sup 55}Mn NMR studies of hyperfine magnetic fields (HFF) in Co{sub 2}Mn{sub 1-x}Fe{sub x}Si (0{<=}x{<=}1). The hyperfine magnetic field on Fe atoms is non-monotonic and shows maximum at x=0.5. We argue that the maximum value of the HFF found on Fe and Co atoms at x=0.5 is due to the existence of maximal spin-polarization in Co{sub 2}Mn{sub 0.5}Fe{sub 0.5}Si. Experimentally found HFF values are compared with results following from electronic band structure calculations taking into account electronic correlations (LDA+U).

  11. Does pressure antagonize anesthesia? High-pressure stopped-flow study of firefly luciferase and anatomy of initial flash.

    Science.gov (United States)

    Ueda, I; Minami, H; Matsuki, H; Inoue, T

    1999-01-01

    The antagonizing effect of high pressure against anesthesia is well known. With purified firefly luciferase, however,. Biophys. J. 60:1309-1314) reported that high pressure did not affect the initial flash intensity. Firefly luciferase emits a burst of light when the substrates luciferin and ATP are added in the presence of O2. The light intensity decays rapidly and the weak light lasts for hours. The initial flash is a transient event and is not in a steady state. The steady state is represented by the slope of the linear part of the integral of the light output. The present study used a high-pressure stopped-flow system to compare the pressure effects on the initial flash intensity and the steady-state light intensity. The flash intensity did not change by the application of hydrostatic pressure in the presence or absence of chloroform or 1-octanol. In contrast, high pressure increased the steady-state light intensity. The application of 12 MPa pressure increased the steady-state light intensity of firefly luciferase inhibited by 5 mM chloroform or 0.7 mM 1-octanol by 19.7% and 18.8%, respectively. When analyzed by the rapid reaction kinetics of the transition state theory, the initial peak intensity represents the total amount of active enzyme and is unrelated to the reaction rate. Anesthetics inhibited the initial flash by unfolding the protein, thereby decreasing the concentration of the active enzyme. Pressure affected the steady-state light intensity by changing the reaction rates.

  12. Creating Binary Cu–Bi Compounds via High-Pressure Synthesis: A Combined Experimental and Theoretical Study

    Energy Technology Data Exchange (ETDEWEB)

    Clarke, Samantha M.; Amsler, Maximilian; Walsh, James P.S.; Yu, Tony; Wang, Yanbin; Meng, Yue; Jacobsen, Steven D.; Wolverton, Chris; Freedman, Danna E. (UC); (CIW); (NWU)

    2017-06-13

    Exploration beyond the known phase space of thermodynamically stable compounds into the realm of metastable materials is a frontier of materials chemistry. The application of high pressure in experiment and theory provides a powerful vector by which to explore this uncharted phase space, allowing discovery of complex new structures and bonding in the solid state. We harnessed this approach for the Cu–Bi system, where the realization of new phases offers potential for exotic properties such as superconductivity. This potential is due to the presence of bismuth, which, by virtue of its status as one of the heaviest stable elements, forms a critical component in emergent materials such as superconductors and topological insulators. To fully investigate and understand the Cu–Bi system, we welded theoretical predictions with experiment to probe the Cu–Bi system under high pressures. By employing the powerful approach of in situ X-ray diffraction in a laser-heated diamond anvil cell (LHDAC), we thoroughly explored the high-pressure and high-temperature (high-PT) phase space to gain insight into the formation of intermetallic compounds at these conditions. We employed density functional theory (DFT) calculations to calculate a pressure versus temperature phase diagram, which correctly predicts that CuBi is stabilized at lower pressures than Cu11Bi7, and allows us to uncover the thermodynamic contributions responsible for the stability of each phase. Detailed comparisons between the NiAs structure type and the two high-pressure Cu–Bi phases, Cu11Bi7 and CuBi, reveal the preference for elemental segregation within the Cu–Bi phases, and highlight the unique channels and layers formed by ordered Cu vacancies. The electron localization function from DFT calculations account for the presence of these “voids” as a manifestation of the lone pair orientation on the Bi atoms. Our study demonstrates the power of joint experimental–computational work in exploring the

  13. Tunable high pressure lasers

    Science.gov (United States)

    Hess, R. V.

    1976-01-01

    Atmospheric transmission of high energy CO2 lasers is considerably improved by high pressure operation which, due to pressure broadening, permits tuning the laser lines off atmospheric absorption lines. Pronounced improvement is shown for horizontal transmission at altitudes above several kilometers and for vertical transmission through the entire atmosphere. Applications of tunable high pressure CO2 lasers to energy transmission and to remote sensing are discussed along with initial efforts in tuning high pressure CO2 lasers.

  14. 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.

  15. In situ high pressure infrared study of the carbon environment in (Mg,Fe)CO3 carbonate

    Science.gov (United States)

    Boulard, E.; Pan, D.; Galli, G.; Mao, W. L.

    2013-12-01

    Carbonates are likely to be the main carbon-bearing phase in the Earth's mantle, and therefore knowledge of their mineral physics down to core mantle boundary conditions is critical for understanding the deep carbon cycle. (Mg,Fe)CO3 has been the focus of many recent high pressure studies which indicate several crystallographic changes. An electronic spin transition in the iron end-member has been reported at approximately 45 GPa. As a result, a change in the volume and the equation of state, and moreover a change in the rate of C-O bond distortion were described by X-ray diffraction (XRD) studies (B. Lavina et al., 2009; 2010). At higher pressures, above 80 GPa, we have observed the transformation of (Mg,Fe)CO3 carbonate into a new high-pressure high-temperature phase by in situ XRD (Boulard et al., 2011). Investigation of the carbon environment had previously been limited to ex situ studies at ambient conditions after releasing the pressure on the sample. Spectroscopy on the carbon C-k edge indicated a potential change in the carbon environment, and a transformation of the carbonate trigonal CO3 groups into CO4 tetrahedra had been proposed (Boulard et al., 2011). However this interpretation is still under debate. To follow the evolution of C-O bonds and clarify the existence of CO4 tetrahedra in high-pressure carbonate phases, we combined in-situ infrared spectroscopy with theoretical calculations. Mid-infrared spectroscopy, performed at high pressure before and after laser heating at U2A, NSLS, BNL show several changes in the (Mg,Fe)CO3 spectrum after laser heating at 103 GPa. We will discuss the interpretation of these new spectroscopic signatures and the possibility of a dramatic change in the carbon environment. References: Boulard, E. et al., (2011). New host for carbon in the deep Earth. PNAS, 108(13), 5184-5187. Lavina, B. et al., (2009). Siderite at lower mantle conditions and the effects of the pressure-induced spin-pairing transition. Geophysical

  16. 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

    2017-06-01

    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).

  17. Kinetic study of the thermal transformation of limonite to hematite by X-ray diffraction, {mu}-Raman and Moessbauer spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Palacios, P. R., E-mail: roggerpr@gmail.com; Bustamante, Angel [Universidad Nacional Mayor de San Marcos, Laboratorio de Ceramicos y Nanomateriales, Facultad de Ciencias Fisicas (Peru); Romero-Gomez, P.; Gonzalez, J. C. [Instituto de Ciencia de Materiales de Sevilla - CSIC - Univ. Sevilla, Grupo de Investigacion de Superficies, Intercaras y Laminas Delgadas (Spain)

    2011-11-15

    A kinetic study about the phase limonite (FeO(OH)-nH{sub 2}O) was performed through X-ray diffraction, {mu}-Raman spectroscopy and Moessbauer spectroscopy. The oxide powder sample was extracted from Taraco district, Huancane province of Puno (Peru). X-ray diffraction identified the phase goethite as the main mineralogical component, and then the sample was subjected to in-situ heat treatment in the temperature range: 100 to 500 Degree-Sign C in oxidizing (air) and inert (nitrogen) atmospheres. The goethite phase remains stable in this range: room temperature to 200 Degree-Sign C. Between 200 Degree-Sign C to 250 Degree-Sign C there is a phase transition: {alpha}-Fe{sup 3 + }O(OH) {yields} {alpha}-Fe{sub 2}O{sub 3}, i.e., from goethite to hematite phase, taking as evidence the evolution of the diffraction profiles. At 200 Degree-Sign C spectra shows the start of broadened magnetic component and it was adjusted through of a magnetic distribution giving a mean field of 38.6T and a relative area of 52.9%, which is a characteristic of goethite. Also, it is noticed the presence of a small amount of hematite with a mean field of 49.0T linked with a superparamagnetic broadened doublet of relative area of 47.1% where the domains of the particles have sizes smaller than 100 A and it is evidence the superparamagnetic limit; i.e., the superparamagnetic effect tends toward a distribution of magnetic fields. Moreover, the Raman spectra of the in-situ thermal treatment, support the transition at 290 Degree-Sign C through the transformation of characteristic bands of goethite to hematite phase at the frequency range from 200 to 1,800 cm{sup - 1}.

  18. Moessbauer-Spectrometer MIMOS II: Future applications

    Energy Technology Data Exchange (ETDEWEB)

    Klingelhoefer, Goestar; Blumers, Mathias; Schroeder, Christian; Fleischer, Iris; Lopez, Jordi G.; Sanchez, Jose F.; Hahn, Michaela; Upadhyay, Chandan [Institut fuer Anorganische Chemie und Analytische Chemie, Johannes Gutenberg Universitaet, Staudinger Weg 9, 55128 Mainz (Germany); Rodionov, Daniel [Institut fuer Anorganische Chemie und Analytische Chemie, Johannes Gutenberg Universitaet, Staudinger Weg 9, 55128 Mainz (Germany); Space Research Institute IKI, 117997 Moskau (Russian Federation)

    2007-07-01

    The Miniaturized Moessbauer Spectrometer MIMOS II operates on the surface of Mars for the last three years (part of NASA Mars Exploration Rovers scientific payload). Successful application of MIMOS II as a tool for detection/analysis of Fe-bearing minerals on the extraterrestrial surfaces has proven its use for other missions. Currently MIMOS II is a part of ExoMars and Phobos-Grunt missions. ExoMars is managed by the European Space Agency and planned to be launched in 2013. It involves the development of a sophisticated Mars rover with set of instruments to further characterize the biological environment on Mars in preparation for robotic missions and human exploration. Data from the mission should provide an input for broader studies of exobiology. Phobos-Grunt is developed by Russian Space Agency. Currently, launch is planned in 2009. The main goals of the mission are Phobos regolith sample return, Phobos in situ study and Mars/Phobos remote sensing.

  19. Moessbauer spectroscopy in neptunium compounds

    Energy Technology Data Exchange (ETDEWEB)

    Nakamoto, Tadahiro; Nakada, Masami; Masaki, Nobuyuki; Saeki, Masakatsu [Japan Atomic Energy Research Inst., Tokyo (Japan)

    1997-03-01

    Moessbauer effects are observable in seven elements of actinides from {sup 232}Th to {sup 247}Cm and Moesbauer spectra have been investigated mainly with {sup 237}Np and {sup 238}U for the reasons of availability and cost of materials. This report describes the fundamental characteristics of Moessbauer spectra of {sup 237}Np and the correlation between the isomer shift and the coordination number of Np(V) compounds. The isomer shifts of Np(V) compounds had a tendency to increase as an increase of coordination number and the isomer shifts of Np(V) compounds showed broad distribution as well as those of Np(VI) but {delta} values of the compounds with the same coordination number were distributed in a narrow range. The {delta} values of Np(VI) complexes with O{sub x} donor set suggest that the Np atom in its hydroxide (NpO{sub 2}(OH){center_dot}4H{sub 2}O)might have pentagonal bipyramidal structure and at least, pentagonal and hexagonal bipyramidal structures might coexist in its acetate and benzoate. Really, such coexistence has been demonstrated in its nitrate, (NpO{sub 2}){sub 2}(NO{sub 3}){sub 2}{center_dot}5H{sub 2}O. (M.N.)

  20. Study of the Laser-Induced Decomposition of HNO3/2-NITROPROPANE Mixture at Static High Pressure

    Science.gov (United States)

    Bouyer, V.; Hébert, P.; Doucet, M.

    2007-12-01

    The objective of the work presented here is to study the laser-induced decomposition of a condensed HNO3/2-nitropropane mixture containing 58% nitric acid. On the macroscopic scale, this energetic material detonates. Under static high pressure, the formation of an H-bonded complex with that particular composition was demonstrated in a previous study. The high pressure behavior of the complex showed the presence of a solid-solid phase transition around 18 GPa. The combustion front propagation velocity was recorded between 6 and 31 GPa. The analysis of the optical properties of the reaction products as well as the recording of their Raman spectra showed two different combustion regimes. Below 18 GPa, total combustion takes place in the sample and a black residue only composed of soot remains in the cell. Above 18 GPa, the combustion leads to a clear residue with little carbon present. However, the Raman spectra of the remaining sample show new features indicating the presence of species which are not yet clearly identified. The pressure limit between these two behaviors corresponds to the phase transition pressure measured for the complex.

  1. Pulsed laser kinetic studies of liquids under high pressure. Progress report, November 29, 1990--November 25, 1991

    Energy Technology Data Exchange (ETDEWEB)

    Eyring, E.M.

    1991-11-25

    A high pressure apparatus constructed for measuring the rates of reactions in liquids under pressures ranging from 1 atm to 2000 atm has been used to measure the complexation kinetics of molybdenum hexacarbonyl reacting with 2,2-bipyridine, 4,4{prime}-dimethyl-2-2{prime}-bipyridine and 4,4{prime}-diphenyl-2-2{prime} bipyridine in toluene. Pentacarbonyl reaction intermediates are created by a 10 nsec flash of frequency tripled Nd:YAG laser light. Measured activation volumes for chelate ligand ring closure indicate a change in mechanism from associative interchange to dissociative interchange as steric hindrance increases. A similar high pressure kinetics study of molybdenum carbonyl complexation by several substituted phenanthrolines is now well advanced that indicates that with the more rigid phenanthroline ligands steric effects from bulky substituents have less effect on the ring closure mechanism than in the case of the bipyridine ligands. An experimental concentration dependence of the fluorescence quantum yield of cresyl violet has been harmonized with previously published contradictory reports. Fluorescence of cresyl violet in various solvents and in micellar systems has also been systematically explored.

  2. High-pressure and doping studies of the superconducting antiperovskite SrPt3P

    Science.gov (United States)

    Jawdat, BenMaan I.; Lv, Bing; Zhu, Xiyu; Xue, Yuyi; Chu, Ching-wu

    2015-03-01

    We report the results of our investigation of SrPt3P , a recently discovered strong-coupling superconductor with Tc=8.4 K, by application of high physical pressure and by chemical doping. We study hole-doped SrPt3P , which was theoretically predicted to have a higher Tc, resistively, magnetically, and calorimetrically. Here we present the results of these studies and discuss their implications.

  3. HoB4 at high pressure and low temperature: an experimental and theoretical study

    DEFF Research Database (Denmark)

    Olsen, J. Staun; Waśkowska, A.; Gerward, Leif

    2011-01-01

    Single crystals of HoB4 have been grown and used for synchrotron X-ray diffraction studies at pressures up to 23GPa and temperatures down to 100K. The experimental bulk modulus 195 ± 6GPa is in good agreement with 188.4 and 198.2GPa values calculated in the LSDA and LSDA+U approximations, indicat...

  4. 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...

  5. 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

  6. 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

    structure of ferromagnetic TbN has been studied using the linearized augmented plane-wave method. The calculated equilibrium volume and equation of state (EOS) for TbN agree poorly with experiment when the LDA and GGA versions of DFT were used. The agreement between the experimental and theoretical EOS...... to be itinerant and well described by standard DFT functionals. No pressure-induced phase transitions were found below 250 GPa with the LDA + U and GGA + U methods....

  7. Potassium as a Radioactive Heat Source in the Core? A High Pressure Experimental Study

    Science.gov (United States)

    Corgne, A.; Keshav, S.; Fei, Y.

    2004-12-01

    The presence of potassium (K) in the core as a significant heat source was suggested over three decades ago. Experimental studies on K partitioning between metal and silicate have provided ambiguous results, because of experimental and analytical artefacts. It has been recognized that polishing of a run product for chemical analysis using water or oil lubricants results in substantial K loss from the metallic phase [Murthy et al., 2003, Nature 423]. Using a dry polishing technique, Murthy et al showed that K enters sulfide-rich metallic liquids with a strong dependence on temperature and silicate melt composition, but without a significant dependence on pressure over the range of their study (1-3 GPa). Extrapolating their data to conditions of pressure, temperature and melt structure, appropriate to core segregation, Murthy et al concluded that K is a substantial radioactive heat source in planetary cores. Their extrapolation technique is debatable, however, notably concerning the effects of composition and pressure on the partitioning. The aim of our study is therefore to reexamine the factors that can affect K partitioning between metallic liquid and silicate melt. We have performed multi-anvil experiments on a relatively wide pressure range, between 3 and 8 GPa, using graphite capsule. In contrast to Murthy et al who used compositions with high S and K contents, we used a CI-chondrite model composition (containing about 4000 ppm K) as starting material in order to obtain partitioning data directly applicable to planetary differentiation processes. Run products were analyzed by electron microprobe. Time-series experiments at 8 GPa reveal that equilibrium conditions are reached rapidly, within 10 s. The effect of temperature was investigated at 8 GPa on the 2000-2200 C temperature range. Results shows that over this temperature range, partition coefficients for K (DK) remain almost identical. The influence of pressure was investigated at 2000 C (3-8 GPa range

  8. 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

    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......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...

  9. High-pressure Raman study of mono-L-alaninium nitrate crystals

    Science.gov (United States)

    Soares, R. A.; Lima, R. J. C.; Façanha Filho, P. F.; Freire, P. T. C.; Lima, J. A.; da Silva Filho, J. G.

    2017-09-01

    Single-crystal samples of mono-L-alaninium nitrate, known for its non-linear optical properties, have been studied by Raman spectroscopy in a diamond-anvil cell up to pressures of 7.4 GPa. The data acquired in this study are consistent with the hypothesis that a phase transition takes place between 3.5 and 4.1 GPa, as suggested by the change of Raman profile in both the low wavenumber and the internal modes spectral regions. A detailed analysis of the vibrational properties in the wavenumber region below 130 cm-1 including the dependence of the wavenumber of the observed modes as a function of pressure as well a comparison with previous papers reporting the Raman spectra of the L-alanine is presented. Correlation between hydrogen bond at room pressure and the occurrence of the phase transition with pressure variation was proposed giving new insights about the problem. Upon decompression to ambient pressure the original spectra were recovered indicating that the phase transition is reversible.

  10. First-principles study on the high-pressure behavior of the zone-center modes of lonsdaleite silicon

    Science.gov (United States)

    Wu, B. R.

    2000-01-01

    Using a first-principles method, I have studied the static and vibrational properties of the lonsdaleite-silicon. The frequencies of the Raman active modes of the lonsdaleite-Si at ambient pressure agree very well with the experimental results. Among these Raman active modes, the E2g mode can be an indication mode of the lonsdaleite-Si. The high-pressure behavior of the zone-center modes of the lonsdaleite-Si is first studied and a pressure-induced mode softening is found. The E2u mode of the lonsdaleite-Si exhibits red shift under compression and its frequency decreases to zero as the applied pressure increases to around 14 GPa. The pressure-induced mode softening of the E2u mode indicates that the lonsdaleite-Si has a phase transition before the applied pressure reaches 14 GPa.

  11. 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

    2 OH ⇌ CH 2O+H, CH 3O⇌ CH 2O+H, CH 3O⇌ CH 2 OH , and CH 3O+O2⇌ CH 2O+ HO 2. The experiments, involving CH3OH/O2 mixtures diluted in N2, were carried out in a high‐pressure flow reactor at 600–900 K and 20–100 bar, varying the reaction stoichiometry from very lean to fuel‐rich conditions. Under...... 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...

  12. Flow microreactor for study of high-pressure catalytic hydroprocessing reactions

    Energy Technology Data Exchange (ETDEWEB)

    Eliezer, K.F.; Bhinde, M.; Houalla, M.; Broderick, D.; Gates, B.C.; Katzer, J.R.; Olson, J.H.

    1977-08-01

    A flow microreactor has been designed for study of kinetics of hydroprocessing reactions and the accompanying catalyst aging. It operates at temperatures up to 450/sup 0/C and pressures up to 300 atm. Liquid reactant (containing dissolved hydrogen) can be fed steadily at 0.5 to 600 cm/sup 3//h or as pulses injected into a stream of liquid carrier. The design is specified, and the operation is illustrated by conversion data for hydrodesulfurization of dibenzothiophene and of 4-methyldibenzothiophene catalyzed by sulfided cobalt molybdate at 300/sup 0/C and 104 atm and for hydrodenitrogenation of quinoline catalyzed by sulfided nickel molybdate at 342/sup 0/C and 165 atm.

  13. 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

  14. Experimental study of CO2 dissolution a convection phenomenon at high pressure

    Science.gov (United States)

    Ben Salem, Imen; Chevalier, Sylvie; Faisal, Titly Farhana; Abderrahmane, Hamid; Sassi, Mohamed

    2016-05-01

    The density driven convection phenomenon has a significant role in enhancing the CO2 geological storage capacity. Deep saline aquifers are targeted for large scale geological sequestration. Once the CO2 is injected in saline aquifer, the supercritical CO2 rises up, forms a thin layer of free phase CO2, and the dissolution and molecular diffusion of the dissolved CO2 in brine begins. The CO2 saturated brine is denser than the original brine leading to gravitational convection of CO2 saturated brine. Convection accelerates the dissolution process and thus improves the safety and the efficiency of the sequestration. Laboratory experiments have been previously performed with experimental set-ups allowing the visualization of the phenomenon (1) eventually combined to the measurements of the dissolved CO2 mass transfer (2) as a function of the permeability of the medium. The visualization of the process was possible as Hele-Shaw cells at atmospheric pressure were used. Pressurized cylindrical vessel containing porous media allows measuring mass transfer of CO2 using the pressure decay concept (3) but visualization of the convection/dissolution was not possible for these setups. In this work, we performed experiments in a pressurized transparent cell similar to a Hele-Shaw cell but with bigger aperture. Permeability was varied by changing the size of the glass beads filling the cell. Bromocrysol green was used as a dye to track the pH change due to the presence of dissolved CO2 (1). The phenomenon is captured by a high resolution camera. We studied the effect of the pressure and of the permeability on the fingering pattern, the onset and the timescale of the phenomenon and the quantitative mass transfer of dissolved CO2. Experiments were validated on numerical simulations performed using STOMP (Subsurface Transport Over Multiple Phases) developed by the PNNL (Pacific Northwest National Laboratory) Hydrology group of the Department of Energy, USA. (1) Kneafsey, T

  15. Spectroscopic study of partially-ordered semiconductor heterojunction under high pressure and high magnetic field

    Energy Technology Data Exchange (ETDEWEB)

    Yu, P.Y.; Martinez, G.; Zeman, J.; Uchida, K.

    2000-12-31

    Photoluminescence upconversion (PLU) is a phenomenon in which a sample emits photons with energy higher than that of the excitation photon. This effect has been observed in many materials including rare earth ions doped in insulating hosts and semiconductor heterostructures without using high power lasers as the excitation source. Recently, this effect has been observed also in partially CuPt-ordered GaInP{sub 2} epilayers grown on GaAs substrates. As a spectroscopic technique photoluminescence upconversion is particularly well suited for studying band alignment at heterojunction interface. The value of band-offset has been determined with meV precision using magneto-photoluminescence. Using the fact that the pressure coefficient of electrons in GaAs is higher than those in GaInP{sub 2} they have been able to manipulate the band-offset at the GaInP/GaAs interface. By converting the band-offset from Type I to Type II they were able to demonstrate that the efficiency of the upconversion process is greatly enhanced by a Type II band-offset.

  16. Cage occupancies in the high pressure structure H methane hydrate: a neutron diffraction study.

    Science.gov (United States)

    Tulk, C A; Klug, D D; dos Santos, A M; Karotis, G; Guthrie, M; Molaison, J J; Pradhan, N

    2012-02-07

    A neutron diffraction study was performed on the CD(4) : D(2)O structure H clathrate hydrate to refine its CD(4) fractional cage occupancies. Samples of ice VII and hexagonal (sH) methane hydrate were produced in a Paris-Edinburgh press and in situ neutron diffraction data collected. The data were analyzed with the Rietveld method and yielded average cage occupancies of 3.1 CD(4) molecules in the large 20-hedron (5(12)6(8)) cages of the hydrate unit cell. Each of the pentagonal dodecahedron (5(12)) and 12-hedron (4(3)5(6)6(3)) cages in the sH unit cell are occupied with on average 0.89 and 0.90 CD(4) molecules, respectively. This experiment avoided the co-formation of Ice VI and sH hydrate, this mixture is more difficult to analyze due to the proclivity of ice VI to form highly textured crystals, and overlapping Bragg peaks of the two phases. These results provide essential information for the refinement of intermolecular potential parameters for the water-methane hydrophobic interaction in clathrate hydrates and related dense structures.

  17. High Pressure Study of Electrical Resistivity of CeB6 to 136 GPa

    Science.gov (United States)

    Forouzani, Neda; Lim, Jinhyuk; Schilling, James; Fabbris, Gilberto; Fisk, Zachary

    2014-03-01

    Since the 1960's the dense Kondo compound cerium hexaboride (CeB6) has attracted a great deal of interest. To investigate whether this material might evolve into a topological insulator under sufficient pressure, we have carried out four-point electrical resistivity measurements on CeB6 over the temperature range 1.3 K to 295 K in a diamond anvil cell to 136 GPa. Although a transition into an insulating phase is not observed, the evolution of the initial dense Kondo state under such extreme pressures is of considerable interest. As reported in earlier studies to 13 GPa, the temperature of the resistivity maximum near 3 K initially increases with pressure. We observe that between 33 and 53 GPa the resistivity maximum disappears and by 83 GPa CeB6 appears to have settled into a Fermi liquid state. The marked changes observed under pressure suggest that a change in valence and/or a structural transition may have occurred. Synchrotron x-ray diffraction measurements are being carried out to investigate possible changes in crystal structure under extreme pressures. Work at Washington Univ. supported by NSF DMR-1104742 and Carnegie/DOE/NNSA DE-FC52-08NA28554.

  18. 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.

  19. High pressure Laue diffraction and its application to study microstructural changes during the α → β phase transition in Si.

    Science.gov (United States)

    Popov, D; Park, C; Kenney-Benson, C; Shen, G

    2015-07-01

    An approach using polychromatic x-ray Laue diffraction is described for studying pressure induced microstructural changes of materials under pressure. The advantages of this approach with respect to application of monochromatic x-ray diffraction and other techniques are discussed. Experiments to demonstrate the applications of the method have been performed on the α → β phase transition in Si at high pressures using a diamond anvil cell. We present the characterization of microstructures across the α-β phase transition, such as morphology of both the parent and product phases, relative orientation of single-crystals, and deviatoric strains. Subtle inhomogeneous strain of the single-crystal sample caused by lattice rotations becomes detectable with the approach.

  20. Destruction of hazardous waste in supercritical water. Part 2, A study of high-pressure methanol oxidation kinetics

    Energy Technology Data Exchange (ETDEWEB)

    Schmitt, R.G.; Butler, P.B. [Iowa Univ., Iowa City, IA (United States); Bergan, N.E. [Sandia National Labs., Livermore, CA (United States); Pitz, W.J.; Westbrook, C.K. [Lawrence Livermore National Lab., CA (United States)

    1991-12-31

    In supercritical water oxidation, dilute aqueous organic wastes are oxidized at temperatures and pressures above the critical point of water. This process has been successfully demonstrated to treat waste streams of interest to the Department of Energy production facilities. In this paper we present a numerical study on the oxidation kinetics of a waste containing 98% water and 2% methanol under supercritical conditions. The plug-flow reactor model is similar to that presented in an earlier publication. We have corrected the chemistry in this model by changing the reaction rates of unimolecular reactions to their high-pressure limits. Our results show that the decomposition step of H{sub 2}O{sub 2} into the OH radical is the dominant reaction step controlling the destruction of methanol under supercritical conditions. Using the corrected chemistry model, we calculate the characteristic destruction times of methanol as a function of reactor inlet conditions.

  1. Surface Interactions and Confinement of Methane: A High Pressure Magic Angle Spinning NMR and Computational Chemistry Study

    Energy Technology Data Exchange (ETDEWEB)

    Ok, Salim; Hoyt, David W.; Andersen, Amity; Sheets, Julie; Welch, Susan A.; Cole, David R.; Mueller, Karl T.; Washton, Nancy M.

    2017-01-18

    Characterization and modeling of the molecular-level behavior of simple hydrocarbon gases, such as methane, in the presence of both nonporous and nano-porous mineral matrices allows for predictive understanding of important processes in engineered and natural systems. In this study, changes in local electromagnetic environments of the carbon atoms in methane under conditions of high pressure (up to 130 bar) and moderate temperature (up to 346 K) were observed with 13C magic-angle spinning (MAS) NMR spectroscopy while the methane gas was mixed with two model solid substrates: a fumed non-porous, 12 nm particle size silica and a mesoporous silica with 200 nm particle size and 4 nm average pore diameter. Examination of the interactions between methane and the silica systems over temperatures and pressures that include the supercritical regime was allowed by a novel high pressure MAS sample containment system, which provided high resolution spectra collected under in situ conditions. For pure methane, no significant thermal effects were found for the observed 13C chemical shifts at all pressures studied here (28.2 bar, 32.6 bar, 56.4 bar, 65.1 bar, 112.7 bar, and 130.3 bar). However, the 13C chemical shifts of resonances arising from confined methane changed slightly with changes in temperature in mixtures with mesoporous silica. The chemical shift values of 13C nuclides in methane change measurably as a function of pressure both in the pure state and in mixtures with both silica matrices, with a more pronounced shift when meso-porous silica is present. Molecular-level simulations utilizing GCMC, MD and DFT confirm qualitatively that the experimentally measured changes are attributed to interactions of methane with the hydroxylated silica surfaces as well as densification of methane within nanopores and on pore surfaces.

  2. Combined high-pressure and high-temperature vibrational studies of dolomite: phase diagram and evidence of a new distorted modification

    Science.gov (United States)

    Efthimiopoulos, I.; Jahn, S.; Kuras, A.; Schade, U.; Koch-Müller, M.

    2017-07-01

    A combined high-pressure mid-infrared absorption and Raman spectroscopy study on a natural CaMg0.98Fe0.02(CO3)2 dolomite sample was performed both at ambient and high temperatures. A pressure-temperature phase diagram was constructed for all the reported dolomite ambient- and high-pressure polymorphs. In addition, a local distortion of the ambient-pressure dolomite structure was identified close to 11 GPa, just before the transition toward the first known high-pressure phase. All the Clausius-Clapeyron slopes are found to be positive with similar magnitudes. Complementary first-principles calculations suggest a metastable nature of the high-pressure dolomite polymorphs. Finally, theoretical spectroscopy is used to interpret and discuss the observed changes in the measured vibrational spectra.

  3. High-pressure microfluidics

    Science.gov (United States)

    Hjort, K.

    2015-03-01

    When using appropriate materials and microfabrication techniques, with the small dimensions the mechanical stability of microstructured devices allows for processes at high pressures without loss in safety. The largest area of applications has been demonstrated in green chemistry and bioprocesses, where extraction, synthesis and analyses often excel at high densities and high temperatures. This is accessible through high pressures. Capillary chemistry has been used since long but, just like in low-pressure applications, there are several potential advantages in using microfluidic platforms, e.g., planar isothermal set-ups, large local variations in geometries, dense form factors, small dead volumes and precisely positioned microstructures for control of reactions, catalysis, mixing and separation. Other potential applications are in, e.g., microhydraulics, exploration, gas driven vehicles, and high-pressure science. From a review of the state-of-art and frontiers of high pressure microfluidics, the focus will be on different solutions demonstrated for microfluidic handling at high pressures and challenges that remain.

  4. A high pressure study of the eigenvectors of the infra-red active vibrational modes of crystalline adenosine.

    Science.gov (United States)

    Starkey, Carl A; Lee, Scott A; Anderson, Anthony

    2016-01-01

    High-pressure infrared spectroscopy has been used to study the eigenvectors and eigenvalues of the vibrational modes of crystalline adenosine at 298 K by evaluating the logarithmic derivative of the vibrational frequency with respect to pressure: [Formula: see text]. Crystalline samples of molecular materials such as adenosine have vibrational modes that are localized within a molecular unit ("internal" modes) as well as modes in which the molecular units vibrate against each other ("external" modes). The value of the logarithmic derivative is that it is a diagnostic probe of the nature of the eigenvector of these vibrational modes. Stretching modes, which are predominantly internal to the molecule, have low logarithmic derivatives while external modes have higher logarithmic derivatives. Particular attention is paid to modes in the 800-1000 cm(-1) range since modes in that region of the vibrational spectrum are found to be sensitive to the conformation of double-helical DNA. Since the sugar pucker is different for the various conformations of DNA, this fact suggests that these modes involve the motion of atoms in the sugar group. The vibrations of the hydrogen atoms are also of interest to study since the vibrational frequency of hydrogen atoms involved in hydrogen bonds has a negative pressure derivative. Such behavior clearly shows which hydrogen atoms are involved in hydrogen bonding.

  5. High-Pressure Study of the Ground- and Superconducting-State Properties of CeAu2Si2

    Science.gov (United States)

    Scheerer, Gernot W.; Giriat, Gaétan; Ren, Zhi; Lapertot, Gérard; Jaccard, Didier

    2017-06-01

    The pressure-temperature phase diagram of the new heavy-fermion superconductor CeAu2Si2 is markedly different from those studied previously. Indeed, superconductivity emerges not on the verge but deep inside the magnetic phase, and mysteriously Tc increases with the strengthening of magnetism. In this context, we have carried out ac calorimetry, resistivity, and thermoelectric power measurements on a CeAu2Si2 single crystal under high pressure. We uncover a strong link between the enhancement of superconductivity and quantum-critical-like features in the normal-state resistivity. Non-Fermi-liquid behavior is observed around the maximum of superconductivity and enhanced scattering rates are observed close to both the emergence and the maximum of superconductivity. Furthermore we observe signatures of pressure- and temperature-driven modifications of the magnetic structure inside the antiferromagnetic phase. A comparison of the features of CeAu2Si2 and its parent compounds CeCu2Si2 and CeCu2Ge2 plotted as function of the unit-cell volume leads us to propose that critical fluctuations of a valence crossover play a crucial role in the superconducting pairing mechanism. Our study illustrates the complex interplay between magnetism, valence fluctuations, and superconductivity.

  6. Pulsed laser kinetic studies of liquids under high pressure. Final technical report, April 1, 1990--March 31, 1993

    Energy Technology Data Exchange (ETDEWEB)

    Eyring, E.M.

    1993-06-21

    Experiments have been developed for measuring the rates of chemical reactions liquids and in supercritical Co{sub 2}. A pulsed (Q-switch) Nd:YAG laser at 355 nm was the pump beam for laser flash photolysis studies of molybdenum and tungsten hexacarbonyls undergoing ligand displacement reactions by bidentate chelating agents such as 2,2{prime}-bipyridine in toluene. Experiments were carried out at 0.1 to 150 MPa. In the case of molybdenum complexes, the reaction mechanism for thermal ring closure is found from activation volumes to change from associative interchange to dissociative interchange as substituents on the 2,2{prime}-bipyridine ligands become bulkier. In a similar study of more rigid, substituted phenanthroline bidentate ligands it was found that substituent bulkiness had little effect on the thermal ring closure mechanism. Similar high pressure flash photolysis experiments with tungsten hexacarbonyl have also been completed. The concentration dependence of the fluorescence and nonradiative decay quantum yields for cresyl violet in several solvent have been reported as well as stability constants for the complexation of lithium ion by four different crown ethers dissolved in a room temperature molten salt.

  7. Implementation of micro-ball nanodiamond anvils for high-pressure studies above 6 Mbar

    Science.gov (United States)

    Dubrovinsky, Leonid; Dubrovinskaia, Natalia; Prakapenka, Vitali B; Abakumov, Artem M

    2012-01-01

    Since invention of the diamond anvil cell technique in the late 1950s for studying materials at extreme conditions, the maximum static pressure generated so far at room temperature was reported to be about 400 GPa. Here we show that use of micro-semi-balls made of nanodiamond as second-stage anvils in conventional diamond anvil cells drastically extends the achievable pressure range in static compression experiments to above 600 GPa. Micro-anvils (10–50 μm in diameter) of superhard nanodiamond (with a grain size below ∼50 nm) were synthesized in a large volume press using a newly developed technique. In our pilot experiments on rhenium and gold we have studied the equation of state of rhenium at pressures up to 640 GPa and demonstrated the feasibility and crucial necessity of the in situ ultra high-pressure measurements for accurate determination of material properties at extreme conditions. PMID:23093199

  8. Spin density wave in (Fe{sub x}V{sub 3-x})S{sub 4} and the coexistence of normal and condensate states: A Moessbauer study

    Energy Technology Data Exchange (ETDEWEB)

    Embaid, B.P., E-mail: pembaid@fisica.ciens.ucv.ve [Laboratorio de Magnetismo, Escuela de Fisica, Universidad Central de Venezuela, Apartado 47586, Los Chaguaramos, Caracas 1041-A (Venezuela, Bolivarian Republic of); Gonzalez-Jimenez, F. [Laboratorio de Magnetismo, Escuela de Fisica, Universidad Central de Venezuela, Apartado 47586, Los Chaguaramos, Caracas 1041-A (Venezuela, Bolivarian Republic of)

    2013-03-15

    Iron-vanadium sulfides of the monoclinic system Fe{sub x}V{sub 3-x}S{sub 4} (1.0{<=}x{<=}2.0) have been investigated by {sup 57}Fe Moessbauer Spectroscopy in the temperature range 30-300 K. Incommensurate spin density waves (SDW) have been found in this system. An alternative treatment of the spectra allows a direct measurement of the temperature evolution of condensate density of the SDW state which follows the Maki-Virosztek formula. For composition (x=1.0) the SDW condensate is unpinned while for compositions (x>1.0) the SDW condensate is pinned. Possible causes of the pinning-unpinning SDW will be discussed. - Highlights: Black-Right-Pointing-Pointer Fe{sub x}V{sub 3-x}S{sub 4}(1.0{<=}x{<=}2.0) system was investigated by {sup 57}Fe Moessbauer Spectroscopy. Black-Right-Pointing-Pointer Incommensurate spin density wave (SDW) has been found in this system. Black-Right-Pointing-Pointer We report the temperature evolution of the condensate density of SDW state. Black-Right-Pointing-Pointer For composition (x=1.0) the SDW is unpinned while for (x>1.0) is pinned.

  9. Moessbauer spectroscopic study on valence-detrapping and trapping of mixed-valence trinuclear iron(III, III, II) fluorine-substituted benzoate complexes

    Energy Technology Data Exchange (ETDEWEB)

    Sakai, Yoichi, E-mail: yocsakai@daido-it.ac.jp; Onaka, Satoru [Daido University (Japan); Takahashi, Masashi [Toho University (Japan); Ogiso, Ryo; Takayama, Tsutomu [Daido University (Japan); Nakamoto, Tadahiro [Toray Research Center (Japan)

    2012-03-15

    Four mixed-valence trinuclear iron(III, III, II) fluorine-substituted benzoate complexes were synthesized; Fe{sub 3}O(C{sub 6}F{sub 5}COO){sub 6}(C{sub 5}H{sub 5}N){sub 3}{center_dot}CH{sub 2}Cl{sub 2} (1), Fe{sub 3}O(C{sub 6}F{sub 5}COO){sub 6}(C{sub 5}H{sub 5}N){sub 3} (2), Fe{sub 3}O(2H-C{sub 6}F{sub 4}COO){sub 6}(C{sub 5}H{sub 5}N){sub 3} (3), and Fe{sub 3}O(4H-C{sub 6}F{sub 4}COO){sub 6}(C{sub 5}H{sub 5}N){sub 3} (4), in which valence-detrapping and trapping phenomena have been investigated by {sup 57}Fe- Moessbauer spectroscopy. The valence state of the three iron ions is trapped at lower temperatures while it is fully detrapped at higher temperatures for 1. Valence detrapping is not observed for 2, 3, and 4 even at room temperature, although Moessbauer spectra for 3 and 4 show complicated temperature dependence.

  10. Neutron and high-pressure X-ray diffraction study of hydrogen-bonded ferroelectric rubidium hydrogen sulfate.

    Science.gov (United States)

    Binns, Jack; McIntyre, Garry J; Parsons, Simon

    2016-12-01

    The pressure- and temperature-dependent phase transitions in the ferroelectric material rubidium hydrogen sulfate (RbHSO4) are investigated by a combination of neutron Laue diffraction and high-pressure X-ray diffraction. The observation of disordered O-atom positions in the hydrogen sulfate anions is in agreement with previous spectroscopic measurements in the literature. Contrary to the mechanism observed in other hydrogen-bonded ferroelectric materials, H-atom positions are well defined and ordered in the paraelectric phase. Under applied pressure RbHSO4 undergoes a ferroelectric transition before transforming to a third, high-pressure phase. The symmetry of this phase is revised to the centrosymmetric space group P21/c, resulting in the suppression of ferroelectricity at high pressure.

  11. A study of the eigenvectors of the low-frequency vibrational modes in crystalline adenosine via high pressure Raman spectroscopy.

    Science.gov (United States)

    Lee, Scott A; Pinnick, David A; Anderson, A

    2014-12-01

    High-pressure Raman spectroscopy has been used to study the eigenvectors and eigenvalues of the vibrational modes of crystalline adenosine at 295 K by evaluating the logarithmic derivative of the vibrational frequency with respect to pressure: [Formula: see text]. Crystalline samples of molecular materials such as adenosine will have vibrational modes that are localized within a molecular unit ("internal" modes) as well as modes in which the molecular units vibrate against each other ("external" modes). The value of the logarithmic derivative is found to be a diagnostic probe of the nature of the eigenvector of the vibrational modes. Stretching modes which are predominantly internal to the molecule have low logarithmic derivatives while external modes have higher logarithmic derivatives. Particular interest is paid to the low-frequency (≤150 cm(-1)) modes. Based on the pressure dependence of its logarithmic derivative, a mode near 49 cm(-1) is identified as internal mode. The other modes below 400 cm(-1) have pressure dependences of their logarithmic derivatives consistent with being either (1) modes which are mainly external, meaning that the molecules of the unit cell vibrate against each other in translational or librational motions (or linear combinations thereof), or (2) torsional or bending modes involving a large number of atoms, mainly within a molecule. The modes above 400 cm(-1) all have pressure dependences of their logarithmic derivatives consistent with being mainly internal modes.

  12. The Hydrothermal Diamond Anvil Cell (HDAC) for raman spectroscopic studies of geologic fluids at high pressures and temperatures

    Science.gov (United States)

    Schmidt, Christian; Chou, I-Ming; Dubessy, Jean; Caumon, Marie-Camille; Pérez, Fernando Rull

    2012-01-01

    In this chapter, we describe the hydrothermal diamond-anvil cell (HDAC), which is specifically designed for experiments on systems with aqueous fluids to temperatures up to ⬚~1000ºC and pressures up to a few GPa to tens of GPa. This cell permits optical observation of the sample and the in situ determination of properties by ‘photon-in photon-out’ techniques such as Raman spectroscopy. Several methods for pressure measurement are discussed in detail including the Raman spectroscopic pressure sensors a-quartz, berlinite, zircon, cubic boron nitride (c-BN), and 13C-diamond, the fluorescence sensors ruby (α-Al2O3:Cr3+), Sm:YAG (Y3Al5O12:Sm3+) and SrB4O7:Sm2+, and measurements of phase-transition temperatures. Furthermore, we give an overview of published Raman spectroscopic studies of geological fluids to high pressures and temperatures, in which diamond anvil cells were applied.

  13. Chapter 7: The hydrothermal diamond anvil cell (HDAC) for Raman spectroscopic studies of geological fluids at high pressures and temperatures

    Science.gov (United States)

    Schmidt, Christian; Chou, I-Ming; Dubessy, J.; Caumon, M.-C.; Rull, F.

    2012-01-01

    In this chapter, we describe the hydrothermal diamond-anvil cell (HDAC), which is specifically designed for experiments on systems with aqueous fluids to temperatures up to ~1000ºC and pressures up to a few GPa to tens of GPa. This cell permits optical observation of the sample and the in situ determination of properties by ‘photon-in photon-out’ techniques such as Raman spectroscopy. Several methods for pressure measurement are discussed in detail including the Raman spectroscopic pressure sensors a-quartz, berlinite, zircon, cubic boron nitride (c-BN), and 13C-diamond, the fluorescence sensors ruby (α-Al2O3:Cr3+), Sm:YAG (Y3Al5O12:Sm3+) and SrB4O7:Sm2+, and measurements of phase-transition temperatures. Furthermore, we give an overview of published Raman spectroscopic studies of geological fluids to high pressures and temperatures, in which diamond anvil cells were applied.

  14. Synthesis, structure, chemical doping and high pressure studies of the SrPt3 P with unique structure features

    Science.gov (United States)

    Jawdat, Benmaan; Lv, Bing; Zhu, Xiyu; Xue, Yuyi; Chu, Ching

    2013-03-01

    Superconductivity up to 8.4K was reported by Takayama et al.[3] in APt3P (A =Sr, Ca and La) in 2012 with structural information based only on X-ray powder refinement. The compounds are suggested to crystallize in an antiperovskite-based structure closely related to that of the heavy fermion superconductor CePt3Si but are nonpolar unlike CePt3Si. Both small single crystals and polycrystalline samples of SrPt3P, the compound with the highest Tc of this class of materials, are synthesized through solid state reactions. In this presentation, full and detailed structural information will be revealed based on X-ray single crystal analysis. Different chemical doping on different sites and high pressure studies have been carried out on the compound of SrPt3P. The results and its implication will be presented and discussed. Research at Houston is supported in part by US AFOSR, the State of Texas, T.L.L. Temple Foundation and John and Rebecca Moores Endowment.

  15. Neutron Diffraction and Electrical Transport Studies on Magnetic Transition in Terbium at High Pressures and Low Temperatures

    Science.gov (United States)

    Thomas, Sarah; Montgomery, Jeffrey; Tsoi, Georgiy; Vohra, Yogesh; Weir, Samuel; Tulk, Christopher; Moreira Dos Santos, Antonio

    2013-06-01

    Neutron diffraction and electrical transport measurements have been carried out on the heavy rare earth metal terbium at high pressures and low temperatures in order to elucidate its transition from a helical antiferromagnetic to a ferromagnetic ordered phase as a function of pressure. The electrical resistance measurements using designer diamonds show a change in slope as the temperature is lowered through the ferromagnetic Curie temperature. The temperature of the ferromagnetic transition decreases at a rate of -16.7 K/GPa till 3.6 GPa, where terbium undergoes a structural transition from hexagonal close packed (hcp) to an α-Sm phase. Above this pressure, the electrical resistance measurements no longer exhibit a change in slope. In order to confirm the change in magnetic phase suggested by the electrical resistance measurements, neutron diffraction measurements were conducted at the SNAP beamline at the Oak Ridge National Laboratory. Measurements were made at pressures to 5.3 GPa and temperatures as low as 90 K. An abrupt increase in peak intensity in the neutron diffraction spectra signaled the onset of magnetic order below the Curie temperature. A magnetic phase diagram of rare earth metal terbium will be presented to 5.3 GPa and 90 K based on these studies.

  16. A study of the eigenvectors of the vibrational modes in crystalline cytidine via high-pressure Raman spectroscopy.

    Science.gov (United States)

    Lee, Scott A; Pinnick, David A; Anderson, A

    2015-01-01

    Raman spectroscopy has been used to study the eigenvectors and eigenvalues of the vibrational modes of crystalline cytidine at 295 K and high pressures by evaluating the logarithmic derivative of the vibrational frequency ω with respect to pressure P: [Formula: see text]. Crystalline samples of molecular materials have strong intramolecular bonds and weak intermolecular bonds. This hierarchy of bonding strengths causes the vibrational optical modes localized within a molecular unit ("internal" modes) to be relatively high in frequency while the modes in which the molecular units vibrate against each other ("external" modes) have relatively low frequencies. The value of the logarithmic derivative is a useful diagnostic probe of the nature of the eigenvector of the vibrational modes because stretching modes (which are predominantly internal to the molecule) have low logarithmic derivatives while external modes have higher logarithmic derivatives. In crystalline cytidine, the modes at 85.8, 101.4, and 110.6 cm(-1) are external in which the molecules of the unit cell vibrate against each other in either translational or librational motions (or some linear combination thereof). All of the modes above 320 cm(-1) are predominantly internal stretching modes. The remaining modes below 320 cm(-1) include external modes and internal modes, mostly involving either torsional or bending motions of groups of atoms within a molecule.

  17. 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......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....... High-pressure crystallography is the perfect method for studying intermolecular interactions, by forcing the molecules closer together. In all three studied hydroquinone clathrates, new pressure induced phase transitions have been discovered using a mixture of pentane and isopentane as the pressure...... transmitting medium. Through careful structural analysis combined with theoretical calculations, the structures of all the new high-pressure phases identified herein were determined. In the hydroquinone - methanol and hydroquinone - acetonitrile clathrate structures the phase transitions break the host...

  18. 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.

  19. High pressure direct injection

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, J. [Cummins Westport Inc., Vancouver, BC (Canada)

    2002-07-01

    A brief overview of Cummins Westport was provided, indicating that Westport originated in the 1980s through a research team at the University of British Columbia, and the hiring of the first employees began in 1996. The joint venture between Cummins and Westport was formed in March 2001. Cummins is the largest builder of commercial diesels in the world, and Westport is a small incubation technology company with emphasis on natural gas. The contribution of each company benefits the joint venture. Cummins brings traditional expertise in product and process development and distribution system, while Westport contributes new high pressure direct injection (HPDI) technology, funding and enthusiasm. The same base engine is kept and only the fuel system is changed. HPDI uses diesel cycle combustion and diesel pilot ignites natural gas. It allows for low emissions, high performance, high efficiency and economic payback. The pilot-ignited HPDI technology was explained, and its application to large class-8 trucks was discussed. The efficiency and performance of diesel engines is maintained by HPDI technology, there are 40 per cent reductions in nitrous oxide emissions, particulate matter emissions are reduced by 60 per cent, and carbon dioxide emissions are reduced by 20 per cent. A field demonstration was reviewed, and the major test at Norcal in San Francisco was discussed. The key success factors were found to be: formalized customer support plan, on-site technical support, parts availability, driver support and interaction, and training. Liquid natural gas fuel contamination was found to cause component wear. The emphasis has now been placed on three issues: injector life improvements, fuel debris and liquid natural gas pump/dome regulator life, and fuel economy improvements. The accomplishments for 2001 were identified, such as rapidly improving reliability, 17 HPDI trucks are upfit and in-service to name a few. The goals for 2002 include the placement of permanent fuel

  20. Superconductivity under high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Amaya, K.; Shimizu, K.; Takeda, K.; Tateiwa, N.; Muramatsu, T.; Ishizuka, M.; Kobayashi, T.C

    2003-05-01

    In part 1, we review techniques developed in our laboratory for producing the complex extreme condition of very low temperature and ultra-high pressure and those for measuring electrical resistance and magnetization of the sample confined in the extremely small space of the used pressure cell. In part 2, we review our experimental results in search for pressure-induced superconductivity, which have been obtained by the use of developed techniques. Typical examples are shown in the case of simple inorganic and organic molecular crystals, ionic crystals, and magnetic metals.

  1. High pressure induced superconductivity

    Energy Technology Data Exchange (ETDEWEB)

    Amaya, K.; Shimizu, K

    2003-10-15

    We have developed complex extreme condition of very low temperature down to 30 mK and ultra high pressure exceeding 200 GPa by assembling compact diamond anvil cell (DAC) on a powerful {sup 3}He/{sup 4}He dilution refrigerator. We have also developed measuring techniques of electrical resistance, magnetization and optical measurement for the sample confined in the sample space of the DAC. Using the newly developed apparatus and techniques, we have searched for superconductivity in various materials under pressure. In this paper, we will shortly review our newly developed experimental apparatus and techniques and discuss a few examples of pressure induced superconductivity which were observed recently.

  2. Tem Study of Recrystallization in Ultra-Fine Grain AA3104 Alloy Processed by High-Pressure Torsion

    Directory of Open Access Journals (Sweden)

    Paul H.

    2015-04-01

    Full Text Available The effect of annealing on the microstructure and the texture development was investigated in a particle containing AA3104 aluminium alloy. The samples were processed at room temperature by high-pressure torsion (HPT up to ten turns. The nucleation of new grains was analyzed by a transmission electron microscope equipped with a system for local orientation measurements and a heating holder.

  3. A BEAMLINE FOR HIGH PRESSURE STUDIES AT THE ADVANCED LIGHT SOURCE WITH A SUPERCONDUCTING BENDING MAGNET AS THE SOURCE

    Energy Technology Data Exchange (ETDEWEB)

    Kunz, M; MacDowell, A A; Caldwell, W A; Cambie, D; Celestre, R S; Domning, E E; Duarte, R M; Gleason, A; Glossinger, J; Kelez, N; Plate, D W; Yu, T; Zaug, J M; Padmore, H A; Jeanloz, R; Alivisatos, A P; Clark, S M

    2005-04-19

    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 Tesla 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 (M1), followed by a Kohzu monochromator vessel with a Si(111) crystals (E/{Delta}E {approx} 7000) and a W/B{sub 4}C multilayer (E/{Delta}E {approx} 100), and then a toroidal focusing mirror (M2) 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 detectors (CCD or image-plate detector). Future developments aim at the installation of a second end station dedicated for in situ laser-heating on one hand and a dedicated high-pressure single-crystal station, applying both monochromatic as well as polychromatic techniques.

  4. A Beamline for High-Pressure Studies at the Advanced Light Sourcewith a Superconducting Bending Magnet as the Source

    Energy Technology Data Exchange (ETDEWEB)

    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.

    2005-06-30

    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 Tesla 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 (M1), followed by a Kohzu monochromator vessel with a Si(111) crystals (E/DE {approx}7000) and a W/B4C multilayers (E/DE {approx} 100), and then a toroidal focusing mirror (M2) 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 detectors (CCD or image-plate detector). Future developments aim at the installation of a second end station dedicated for in situ laser-heating on one hand and a dedicated high-pressure single-crystal station, applying both monochromatic as well as polychromatic techniques.

  5. 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

  6. Inelastic scattering in condensed matter with high intensity Moessbauer radiation

    Energy Technology Data Exchange (ETDEWEB)

    Yelon, W.B.; Schupp, G.

    1990-10-01

    We give a progress report for the work which has been carried out in the last three years with DOE support. A facility for high-intensity Moessbauer scattering is now fully operational at the University of Missouri Research Reactor (MURR) as well as facility at Purdue, using special isotopes produced at MURR. High precision, fundamental Moessbauer effect studies have been carried out using scattering to filter the unwanted radiation. These have led to a new Fourier transform method for describing Moessbauer effect (ME) lineshape and a direct method of fitting ME data to the convolution integral. These methods allow complete correction for source resonance self absorption (SRSA) and the accurate representation of interference effects that add an asymmetric component to the ME lines. We have begun applying these techniques to attenuated ME sources whose central peak has been attenuated by stationary resonant absorbers, to more precisely determine interference parameters and line-shape behavior in the resonance asymptotic region. This analysis is important to both the fundamental ME studies and to scattering studies for which a deconvolution is essential for extracting the correct recoilless fractions and interference parameters. A number of scattering studies have been successfully carried out including a study of the thermal diffuse scattering in Si, which led to an analysis of the resolution function for gamma-ray scattering. Also studied was the anharmonic motion in Na and the satellite reflection Debye-Waller factor in TaS{sub 2}, which indicate phason rather than phonon behavior. We have begun quasielastic diffusion studies in viscous liquids and current results are summarized. These advances, coupled to our improvements in MIcrofoil Conversion Electron spectroscopy lay the foundation for the proposed research outlined in this request for a three-year renewal of DOE support.

  7. Gamma scattering in condensed matter with high intensity Moessbauer radiation

    Energy Technology Data Exchange (ETDEWEB)

    1990-01-01

    We give a progress report for the work which has been carried out in the last three years with DOE support. A facility for high-intensity Moessbauer scattering is now fully operational at the University of Missouri Research Reactor (MURR) as well as a facility at Purdue, using special isotopes produced at MURR. High precision, fundamental Moessbauer effect studies have been carried out using scattering to filter the unwanted radiation. These have led to a new Fourier transform method for describing Moessbauer effect (ME) lineshape and a direct method of fitting ME data to the convolution integral. These methods allow complete correction for source resonance self absorption (SRSA) and the accurate representation of interference effects that add an asymmetric component to the ME lines. We have begun applying these techniques to attenuated ME sources whose central peak has been attenuated by stationary resonant absorbers, to more precisely determine interference parameters and line-shape behavior in the resonance asymptotic region. This analysis is important to both the fundamental ME studies and to scattering studies for which a deconvolution is essential for extracting the correct recoilless fractions and interference parameters. A number of scattering studies have been successfully carried out including a study of the thermal diffuse scattering in Si, which led to an analysis of the resolution function for gamma-ray scattering. Also studied was the anharmonic motion in Na and the satellite reflection Debye-Waller factor in TaS{sub 2}, which indicate phason rather than phonon behavior. We have begun quasielastic diffusion studies in viscous liquids and current results are summarized. These advances, coupled to our improvements in MIcrofoil Conversion Electron spectroscopy lay the foundation for the proposed research outlined in this request for a three-year renewal of DOE support.

  8. 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...

  9. Determination of Spin State in Dinuclear Iron(II) Coordination Compounds Using Applied Field Moessbauer Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Ksenofontov, V.; Spiering, H.; Reiman, S.; Garcia, Y. [Johannes-Gutenberg Universitaet, Institut fuer Anorganische Chemie und Analytische Chemie (Germany); Gaspar, A. B.; Real, J. A. [Universitat de Valencia, Departament de Quimica Inorganica (Spain); Guetlich, P. [Johannes-Gutenberg Universitaet, Institut fuer Anorganische Chemie und Analytische Chemie (Germany)

    2002-06-15

    So far there has been no direct method to determine the spin state of molecules in dinuclear iron(II) compounds. The molecular fractions of high spin (HS) and low spin (LS) species have been deduced from magnetic susceptibility and zero field Moessbauer spectroscopy data irrespective of whether they belong to LS-LS, LS-HS and HS-HS pairs. However, the distinction of pairs becomes possible if Moessbauer measurements are carried out in an external magnetic field. The proposed method opens new possibilities in the study of spin crossover phenomena in dinuclear compounds.

  10. 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.

  11. A novel high-pressure precipitation tandem homogenization technology for drug nanocrystals production - a case study with ursodeoxycholic acid.

    Science.gov (United States)

    Li, Yu; Wang, Yong; Yue, Peng-Fei; Hu, Peng-Yi; Wu, Zhen-Feng; Yang, Ming; Yuan, Hai-Long

    2014-09-01

    To overcome the limitations of the conventional particle size reduction technologies, a novel combinative particle size reduction method for the effective production of homogeneous nanosuspensions was investigated. Ursodeoxycholic acid, a poorly soluble drug representative, was tried to prepare nanosuspension by homogenization technology and high-pressure precipitation tandem homogenization technology. It was shown that the combinative approach could significantly improve the particle size reduction effectiveness over conventional homogenization approach. The Box-Behnken design analysis for process optimization revealed that the acceptable UDCA-NS was obtained wherein the optimal values of A, B, C and D were 10%, 500 bar, 0.125 and 600 bar, respectively. SEM results demonstrated that no significant aggregation or crystals growth could be observed in the freeze-dried UDCA nanocrystals. The DSC and XRD results showed that UDCA remained in a crystalline state. Dissolution velocities of the freeze-dried UDCA-NS powder were distinctly superior compared to those of the crude powder and physical mixture. The high-pressure precipitation tandem homogenization technology can be a good choice for nanosuspension preparation of poorly soluble UDCA, due to high efficiency of particle size reduction.

  12. 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

  13. 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).

  14. Moessbauer study of epitaxial Co{sub 2}Cr{sub 0.6}Fe{sub 0.4}Al thin films.

    Energy Technology Data Exchange (ETDEWEB)

    Ksenofontov, Vadim; Felser, Claudia [Institute of Inorganic and Analytical Chemistry, Johannes Gutenberg - University, 55099 Mainz (Germany); Herbort, Christian; Jourdan, Martin [Institute of Physics, Johannes Gutenberg - University, 55099 Mainz (Germany)

    2008-07-01

    Epitaxial thin films of the promising for spintronic applications Heusler half-metallic compound Co{sub 2}Cr{sub 0.6}Fe{sub 0.4}Al (CCFA) were investigated using conversion electron Moessssbauer spectroscopy (CEMS) in order to get insight into the structural and magnetic properties. Thin films of 100 nm thickness were deposited by rf magnetron sputtering on MgO substrates without and with 10 nm Fe buffer layer. We discuss a correlation between the annealing temperature and the structural disorder and hyperfine fields on Fe atoms measured by Moessbauer spectroscopy. Samples prepared at the optimum annealing temperature as determined by tunneling magnetoresistance measurements show the optimum degree of order on the Fe sites as determined by CEMS. Additionally, we observed evidence for a diffusion of Cr atoms from the CCFA thin film into the Fe buffer layer and the related diffusion of Fe atoms from the buffer into the CCFA film. Thus the thermal treatment changes the Fe to Cr ratio of the Heusler compound additional to influencing the degree of disorder on the Fe/Cr sites.

  15. Experimental and Theoretical Studies of the Metallic Conductivity in Cubic PbVO3 under High Pressure

    Science.gov (United States)

    Oka, Kengo; Yamauchi, Touru; Kanungo, Sudipta; Shimazu, Taku; Oh-ishi, Katsuyohi; Uwatoko, Yoshiya; Azuma, Masaki; Saha-Dasgupta, Tanusri

    2018-02-01

    The physical properties of the high-pressure (HP) cubic phase of PbVO3 were investigated on experimental and theoretical bases. Above 3 GPa, PbVO3 exhibits a structural transition from the tetragonal phase to the cubic phase. Electrical resistivity measurement on a twinned single-crystalline sample under HP showed the metallic conductivity of the HP phase, which was absent in the polycrystalline sample. The observed metallic ground state is in accordance with our theoretical calculations, which also suggest the presence of ferromagnetic ordering in the HP phase. However, the magnetic measurement under HP above the transition pressure did not reveal ferromagnetic behavior. Theoretical calculations produced the magnetic moments of the V ions in the HP phase; thus, this difference can be attributed to a lack of ferromagnetic ordering of magnetic moments.

  16. 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.

  17. DDIA-30: a Versatile Megabar Mutli-anvil Device for in-situ High Pressure Studies with White and Monochromatic Synchrotron Radiation

    Science.gov (United States)

    Wang, Y.; Jing, Z.; Hilairet, N.; Yu, T.; Nishiyama, N.; Tange, Y.; Sakamaki, T.; Rivers, M. L.; Sutton, S. R.

    2010-12-01

    We report installation and test results of the DDIA-30 apparatus, a new high pressure device jointly supported by GSECARS and COMPRES. This module is now operational in the 1000 ton press in at the insertion device beamline (13-ID-D) of the Advanced Photon Source. With the operational principle similar to that of the deformation DIA (D-DIA) [1], the DDIA-30 is much larger in size, with anvil truncation edge lengths (TEL) in excess of 30 mm and hydraulic load capacity of 1000 tons. The upper and lower guide blocks have built-in differential hydraulic rams, so that the upper and lower anvils can be driven independently, generating a controlled differential stress field. When operated in single-stage mode, the device allows large samples (up to ~10 mm) to be deformed under high pressure and temperature, in a way identical to the small D-DIA that has been in operation since 2004 at 13-BM-D. The large TEL and load capacity makes DDIA-30 more attractive in double-stage configurations. Without driving the differential rams, DDIA-30 is used to compress eight second-stage cubic anvils. This 6-8 (6 first-stage and 8 second-stage anvils) configuration has been demonstrated to reach 90+ GPa with sintered diamond as second-stage anvils [2, 3]. We have tested this configuration with both LaCrO3 and TiB2 as heater materials to 35 GPa and 1500 C and successfully conducted melting experiments on selected metals and alloys with energy-dispersive diffraction and imaging. Another type of second-stage configuration is to use six DIA anvil extensions with small TELs. This 6-6 configuration [4] allows deformation experiments to be conducted without having to change the large first-stage anvils when different sized cell assemblies are desired. Recent laboratory studies using a similar device in Japan have shown that the large guide blocks have unique advantages in maintaining anvil alignment, greatly expanding capability of the deformation DIA to 25 GPa and 2000 K [5]. Monochromatic

  18. Moessbauer spectroscopy as a tool in astrobiology

    Energy Technology Data Exchange (ETDEWEB)

    Schroeder, Christian, E-mail: schroedc@uni-mainz.de; Klingelhoefer, Goestar, E-mail: klingel@mail.uni-mainz.de [Johannes Gutenberg-Universitaet, Institut fuer Anorganische Chemie und Analytische Chemie (Germany); Bailey, Brad E., E-mail: bebailey@ucsd.edu; Staudigel, Hubert, E-mail: hstaudigel@ucsd.edu [University of California San Diego, Institute of Geophysics and Planetary Physics, Scripps Institution of Oceanography (United States)

    2005-11-15

    Two miniaturized Moessbauer spectrometers are part of the Athena instrument package of the NASA Mars Exploration Rovers, Spirit and Opportunity. The primary objectives of their science investigation are to explore two sites on the surface of Mars where water may once have been present, and to assess past environmental conditions at those sites and their suitability for life. Aqueous minerals - jarosite at Meridiani Planum, Opportunity's landing site, and goethite in the Columbia Hills in Gusev Crater, Spirit's landing site - were identified by Moessbauer spectroscopy, thus providing in situ proof of water being present at those sites in the past. The formation of jarosite in particular puts strong constraints on environmental conditions during the time of formation and hence on the evaluation of potential habitability. On Earth Moessbauer spectroscopy was used to investigate microbially induced changes in Fe oxidation states and mineralogy at the Loihi deep sea mount, a hydrothermal vent system, which might serve as an analogue for potential habitats in the Martian subsurface and the sub-ice ocean of Jupiter's icy moon Europa.

  19. Second Round Of Studies On Advanced Power Generation Based On Combined Cycle Using A Single High-pressure Fluidized Bed Boiler And Consuming Biomass

    OpenAIRE

    de Souza-Santos M.L.; Chavez J.V.

    2012-01-01

    Following a preliminary study of power generation processes consuming sugar-cane bagasse; this second round indicates the possibility of almost doubling the current efficiency presently obtained in conventional mills. A combined cycle uses highly pressurized fluidized bed boiler to provide steam above critical temperature to drive steam-turbine cycle while the flue-gas is injected into gas turbines. The present round also shows that gains over usual BIG/GT (Biomass In-tegrated Gasification/Ga...

  20. Thermodynamic Property Study of Nanostructured Mg-H, Mg-Ni-H, and Mg-Cu-H Systems by High Pressure DSC Method

    Directory of Open Access Journals (Sweden)

    Huaiyu Shao

    2013-01-01

    Full Text Available Mg, Ni, and Cu nanoparticles were synthesized by hydrogen plasma metal reaction method. Preparation of Mg2Ni and Mg2Cu alloys from these Mg, Ni, and Cu nanoparticles has been successfully achieved in convenient conditions. High pressure differential scanning calorimetry (DSC technique in hydrogen atmosphere was applied to study the synthesis and thermodynamic properties of the hydrogen absorption/desorption processes of nanostructured Mg-H, Mg-Ni-H, and Mg-Cu-H systems. Van’t Hoff equation of Mg-Ni-H system as well as formation enthalpy and entropy of Mg2NiH4 was obtained by high pressure DSC method. The results agree with the ones by pressure-composition isotherm (PCT methods in our previous work and the ones in literature.

  1. Hydrogen bond symmetrization and superconducting phase of HBr and HCl under high pressure: An ab initio study.

    Science.gov (United States)

    Duan, Defang; Tian, Fubo; He, Zhi; Meng, Xing; Wang, Liancheng; Chen, Changbo; Zhao, Xiusong; Liu, Bingbing; Cui, Tian

    2010-08-21

    Ab initio calculations are performed to probe the hydrogen bonding, structural, and superconducting behaviors of HBr and HCl under high pressure. The calculated results show that the hydrogen bond symmetrization (Cmc2(1)-->Cmcm transition) of HBr and HCl occurs at 25 and 40 GPa, respectively, which can be attributed to the symmetry stretching A(1) mode softening. After hydrogen bond symmetrization, a pressure-induced soft transverse acoustic phonon mode of Cmcm phase is identified and a unique metallic phase with monoclinic structure of P2(1)/m (4 molecules/cell) for both compounds is revealed by ab initio phonon calculations. This phase preserves the symmetric hydrogen bond and is stable in the pressure range from 134 to 196 GPa for HBr and above 233 GPa for HCl, while HBr is predicted to decompose into Br(2)+H(2) above 196 GPa. Perturbative linear-response calculations predict that the phase P2(1)/m is a superconductor with T(c) of 27-34 K for HBr at 160 GPa and 9-14 K for HCl at 280 GPa.

  2. 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.

  3. Ultraviolet (UV) Raman Spectroscopy Study of the Soret Effect in High-Pressure CO2-Water Solutions

    Energy Technology Data Exchange (ETDEWEB)

    Windisch, Charles F.; Maupin, Gary D.; McGrail, B. Peter

    2012-07-01

    Spatially resolved deep-UV Raman spectroscopy was applied to solutions of CO2 and H2O or D2O subject to a temperature gradient in a thermally regulated high-pressure concentric-tube Raman cell in an attempt to measure a Soret effect in the vicinity of the critical point of CO2. Although Raman spectra of solutions of CO2 dissolved in D2O, at 10 MPa and temperatures near the critical point of CO2, had adequate signal-to-noise and spatial resolution to observe a Soret effect with a Soret coefficient with magnitude |ST| > 0.03, no evidence for an effect of this size was obtained for applied temperature gradients up to 19 C. In contrast, the concentration of CO2 dissolved in H2O was shown to vary significantly across the temperature gradient when excess CO2 was present, but the results could be explained simply by the variation in CO2 solubility over the temperature range and not to kinetic factors. For mixtures of D2O dissolved in scCO2 at 10 MPa and temperatures close to the critical point of CO2, the Raman peaks for D2O were too weak to measure with confidence even at the limit of D2O solubility.

  4. Photoluminescence studies of Mn{sup 4+} ions in YAlO{sub 3} crystals at ambient and high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Zhydachevskii, Ya [Lviv Polytechnic National University, 12 Bandera, Lviv 79646 (Ukraine); Galanciak, D [Department of Physics, University of Bydgoszcz, Weyssenhoffa 11, 85-072, Bydgoszcz (Poland); Kobyakov, S [Institute of Physics, Polish Academy of Sciences, 32/46 Aleja Lotnikow, 02-668 Warsaw (Poland); Berkowski, M [Institute of Physics, Polish Academy of Sciences, 32/46 Aleja Lotnikow, 02-668 Warsaw (Poland); Kaminska, A [Institute of Physics, Polish Academy of Sciences, 32/46 Aleja Lotnikow, 02-668 Warsaw (Poland); Suchocki, A [Institute of Physics, Polish Academy of Sciences, 32/46 Aleja Lotnikow, 02-668 Warsaw (Poland); Zakharko, Ya [I. Franko Lviv National University, 107 Tarnavskogo Street, Lviv 79017 (Ukraine); Durygin, A [CeSMEC, Florida International University, University Park, Miami, FL 33199 (United States)

    2006-12-13

    Detailed investigations of the photoluminescence properties of Mn{sup 4+} (3d{sup 3}) ions in YAlO{sub 3} have been performed in the temperature range 10-600 K. The luminescence of Mn{sup 4+} ions due to the {sup 2}E {yields}{sup 4}A{sub 2} transition consists of two zero-phonon lines (R lines) at 691.3 and 692.7 nm, which became visible only at low temperature, and their vibronic sidebands that cover the range of 660-740 nm. The thermal quenching of the luminescence intensity due to the non-radiative decay occurs at temperatures above 420 K. The temperature dependence of the luminescence decay time shows a quasi-linear decrease from {tau} = 4.9 to 1.6 ms in the temperature range from 90 to 420 K (with a temperature coefficient -0.01 ms K{sup -1}) that makes YAlO{sub 3}:Mn a potentially good phosphor for a fibre optic fluorescence thermometer in this temperature range. The high-pressure low-temperature luminescence measurements in a diamond-anvil cell reveal similar pressure coefficients for Mn{sup 4+} and Cr{sup 3+} dopant ions in YAlO{sub 3}, equal to 1.16 cm{sup -1} kbar{sup -1} and 1.08 cm{sup -1} kbar{sup -1}, respectively.

  5. Local structure of xenon adsorbed in the nanospaces of zeolites as studied by high-pressure 129Xe NMR.

    Science.gov (United States)

    Omi, Hironori; Ueda, Takahiro; Kato, Noriko; Miyakubo, Keisuke; Eguchi, Taro

    2006-09-07

    Pressure (0-10 MPa) and local density dependence of 129Xe NMR chemical shift of xenon in various microporous materials was investigated using an in situ high-pressure probe. The density dependence of the chemical shift was analyzed using virial expansion of the chemical shift by xenon density. Results indicate that the second virial coefficient depends on the pore size and shape, and that the void space affects xenon-xenon interaction in both microporous and mesoporous materials. Furthermore, to interpret the magnitude of the virial coefficient in terms of the local structure of the adsorbed xenon, we analyzed the local structure of adsorbed xenon in molecular sieve 5A using Xe(n) clusters, thereby allowing description of the density dependence of the chemical shift. We also demonstrated the cluster model's validity by applying it to molecular sieves 13X and ZSM-5. The latter showed that the adsorbed xenon exists as a xenon monomer up to the filling of about 0.6 in micropores. Larger xenon clusters up to n = 4 have been grown with increasing filling of xenon. According to analyses using the Xe(n) cluster model, the second virial coefficient is related closely with the xenon cluster size, which contributes greatly to the chemical shift in the low loading region.

  6. 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.)

  7. Moessbauer spectroscopy evidence of intrinsic non-stoichiometry in iron telluride single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Kiiamov, Airat G.; Tayurskii, Dmitrii A. [Institute of Physics, Kazan Federal University (Russian Federation); Centre for Quantum Technologies, Kazan Federal University (Russian Federation); Lysogorskiy, Yury V.; Vagizov, Farit G. [Institute of Physics, Kazan Federal University (Russian Federation); Tagirov, Lenar R. [Institute of Physics, Kazan Federal University (Russian Federation); E.K. Zavoisky Physical-Technical Institute, Russian Academy of Sciences, Kazan (Russian Federation); Croitori, Dorina [Institute of Applied Physics, Academy of Sciences of Moldova, Chisinau (Moldova, Republic of); Tsurkan, Vladimir [Institute of Applied Physics, Academy of Sciences of Moldova, Chisinau (Moldova, Republic of); Experimental Physics V, University of Augsburg (Germany); Loidl, Alois [Experimental Physics V, University of Augsburg (Germany)

    2017-04-15

    The FeTe parent compound for iron-superconductor chalcogenides was studied applying Moessbauer spectroscopy accompanied by ab initio calculations of electric field gradients at the iron nuclei. Room-temperature (RT) Moessbauer spectra of single crystals have shown asymmetric doublet structure commonly ascribed to contributions of over-stoichiometric iron or impurity phases. Low-temperature Moessbauer spectra of the magnetically ordered compound could be well described by four hyperfine-split sextets, although no other foreign phases different from Fe{sub 1.05}Te were detected by XRD and microanalysis within the sensitivity limits of the equipment. Density functional ab initio calculations have shown that over-stoichiometric iron atoms significantly affect electron charge and spin density up to the second coordination sphere of the iron sub-lattice, and, as a result, four non-equivalent groups of iron atoms are formed by their local environment. The resulting four-group model consistently describes the angular dependence of the single crystals Moessbauer spectra as well as intensity asymmetry of the doublet absorption lines in powdered samples at RT. We suppose that our approach could be extended to the entire class of Fe{sub 1+y}Se{sub 1-x}Te{sub x} compounds, which contain excess iron atoms. (copyright 2016 by WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  8. A density functional study of the high-pressure chemistry of MSiN{sub 2}(M = Be, Mg, Ca): prediction of high-pressure phases and examination of pressure-induced decomposition

    Energy Technology Data Exchange (ETDEWEB)

    Rebecca Roemer, S; Schnick, Wolfgang [Department Chemie und Biochemie, Lehrstuhl fuer Anorganische Festkoerperchemie, Ludwig-Maximilians-Universitaet Muenchen, Butenandtstrasse 5-13 (D), D-81377 Muenchen (Germany); Kroll, Peter [Department of Chemistry and Biochemistry, University of Texas at Arlington, 700 Planetarium Place, Arlington, TX 76019-0065 (United States)], E-mail: wolfgang.schnick@uni-muenchen.de

    2009-07-08

    Normal pressure modifications and tentative high-pressure phases of the nitridosilicates MSiN{sub 2} with M = Be, Mg, or Ca have been thoroughly studied by density functional methods. At ambient pressure, BeSiN{sub 2} and MgSiN{sub 2} exhibit an ordered wurtzite variant derived from idealized filled {beta}-cristobalite by a C1-type distortion. At ambient pressure, the structure of CaSiN{sub 2} can also be derived from idealized filled {beta}-cristobalite by a different type of distortion (D1-type). Energy-volume calculations for all three compounds reveal transition into an NaCl superstructure under pressure, affording sixfold coordination for Si. At 76 GPa BeSiN{sub 2} forms an LiFeO{sub 2}-type structure, corresponding to the stable ambient-pressure modification of LiFeO{sub 2}, while MgSiN{sub 2} and CaSiN{sub 2} adopt an LiFeO{sub 2}-type structure, corresponding to a metastable modification (24 and 60 GPa, respectively). For both BeSiN{sub 2} and CaSiN{sub 2} intermediate phases appear (for BeSiN{sub 2} a chalcopyrite-type structure and for CaSiN{sub 2} a CaGeN{sub 2}-type structure). These two tetragonal intermediate structures are closely related, differing mainly in their c/a ratio. As a consequence, chalcopyrite-type structures exhibit tetrahedral coordination for both cations (M and Si), whereas in CaGeN{sub 2}-type structures one cation is tetrahedrally (Si) and one bisdisphenoidally (M) coordinated. Both structure types, chalcopyrite and CaGeN{sub 2}, can also be derived from idealized filled {beta}-cristobalite through a B1-type distortion. The group-subgroup relation of the BeSiN{sub 2}/MgSiN{sub 2}, the CaSiN{sub 2}, the chalcopyrite, the CaGeN{sub 2} and the idealized filled {beta}-cristobalite structure is discussed and the displacive phase transformation pathways are illustrated. The zero-pressure bulk moduli were calculated for all phases and have been found to be comparable to compounds such as {alpha}- Si{sub 3}N{sub 4}, CaIrO{sub 3} and Al

  9. Boron isotope study of high-pressure metamorphic rocks from Syros (Greece) by secondary ion mass spectrometry (SIMS)

    Science.gov (United States)

    Marschall, H.; Altherr, R.; Ludwig, T.; Kalt, A.

    2003-04-01

    The Heidelberg Cameca ims-3f ion probe has been modified in order to measure δ11B values with a precision of ±1 ppm (2σ) in tourmaline, ±2 ppm in phengite (≈100 μg/g B), and ±4 ppm in other minerals (2--10 μg/g B). Three tourmaline standards (98144 elbaite, 112566 schorl and 108796 dravite; [1]) of different chemical compositions were used to correct for instrumental mass fractionation. This newly established equipment has been used to determine the isotopic ratios of boron (11B/10B) in minerals of Eocene high-pressure rocks from the island of Syros, Greece, for which metamorphic peak conditions of ˜470^oC and 1.5 GPa have been estimated [e.g. 2]. The rocks examined represent different parts of former oceanic crust and occur as eclogites, mafic blueschists, metagabbros, talc-chlorite-actinolite schists or serpentinites. Two types of tourmaline were recognized within the rocks [3]. Type I are small grains (100 μm) with dravite cores and schorl rims, forming inclusions in garnet, glaucophane or phengite. Type II are large grains (10 mm) with very weak zonations occurring within reaction zones between eclogites and serpentinites. Type I shows strong isotopic zonations with light cores of δ11B = -4 ppm and heavy rims of δ11B = +8 ppm. Despite their large grain size, Type II tourmalines show very homogenous isotopic compositions, varying randomly by ±1 ppm over whole grains. Isotopic composition of type II tourmalines were found to be extremely heavy and range from +19 ppm to +22 ppm among different samples. Preliminary results on coexisting phengite, chlorite and glaucophane show significant fractionation between tourmaline and other silicates, with the latter being more than 10 ppm lighter. The heavy isotopic composition of type II tourmaline, formed at depth of approx. 50 km, reflects boron-rich fluids that migrated through the rocks during subduction and early exhumation. They are direct evidence for very high d11B values (>+20 ppm) of subduction

  10. 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.

  11. High Pressure Research on Materials

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 12; Issue 6. High Pressure Research on Materials - Production and Measurement of High Pressures in the Laboratory. P Ch Sahu N V Chandra Shekar. General Article Volume 12 Issue 6 June 2007 pp 10-23 ...

  12. Aging effect in CaLaBa{l_brace}Cu{sub 1 - x}Fe{sub x}{r_brace}{sub 3}O{sub 7 - {delta}} with 0 {<=} x {<=} 0.07 studied by Moessbauer spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Bustamante, Angel, E-mail: angelbd1@gmail.com [Universidad Nacional Mayor de San Marcos, Laboratorio de Ceramicos y Nanomateriales, Facultad de Ciencias Fisicas (Peru); Santos Valladares, Luis De Los, E-mail: ld301@cam.ac.uk [University of Cambridge, Cavendish Laboratory (United Kingdom); Flores, Jesus [Universidad Nacional Mayor de San Marcos, Laboratorio de Ceramicos y Nanomateriales, Facultad de Ciencias Fisicas (Peru); Barnes, Crispin H. W. [University of Cambridge, Cavendish Laboratory (United Kingdom); Majima, Yutaka [Tokyo Institute of Technology, Materials and Structures Laboratory (Japan)

    2011-11-15

    In this work, we study the long-term aging effect caused by Fe atoms in the superconductor CaLaBa{l_brace}Cu{sub 1 - x}Fe{sub x}{r_brace}{sub 3}O{sub 7 - {delta}} with 0 {<=} x {<=} 0.07. XRD confirms that this system has a YBCO-like structure. The critical temperature (T{sub c}) is strongly affected by aging and depends on the amount of Fe in the structure. Room temperature Moessbauer spectroscopy reveals the presence of the typical species A, B-B Prime , C and new species E Prime and F. Interestingly; A, which corresponds to the Fe{sup 3 + } atom located in the Cu(1) of the chains with spin S{sub z} = 3/2, shows a drastic reduction which means migration to the species B, B Prime and C. Species B and B Prime correspond to the Fe{sup 3 + } in the Cu(2) site forming planar quasi-octahedral and planar square pyramidal, while the C specie is a square pyramidal with O(5) respectively (spin S{sub z} = 3/2 in all these cases). Aging causes loss of superconductivity in the samples with 5 and 7% of iron content.

  13. High pressure processing of meat

    DEFF Research Database (Denmark)

    Grossi, Alberto; Christensen, Mette; Ertbjerg, Per

    Abstract Background: The research of high pressure (HP) processing of meat based foods needs to address how pressure affects protein interactions, aggregation and/or gelation. The understanding of the gel forming properties of myofibrillar components is fundamental for the development of muscle...... based products (Chapleau et al., 2004;Colmenero, 2002). Object: The aim was to study the rheological properties of pork meat emulsion exposed to HP and the effect of HP on the aggregation state of myofibrillar proteins. To address the role of cathepsin in myofibrillar protein degradation the changes...... in the myofibrillar protein pattern and HP-induced change in activity of cathepsin B and L were investigated. Results: In this study we showed that HP treatment of pork meat emulsion, ranging from 0.1 to 800 MPa, induced protein gel formation as shown by the increased Young’s modulus (Fig.1). Analysis of SDS...

  14. Thermodynamic Property Study of Nanostructured Mg-H, Mg-Ni-H, and Mg-Cu-H Systems by High Pressure DSC Method

    OpenAIRE

    Huaiyu Shao; Gongbiao Xin; Xingguo Li; Etsuo Akiba

    2013-01-01

    Mg, Ni, and Cu nanoparticles were synthesized by hydrogen plasma metal reaction method. Preparation of Mg2Ni and Mg2Cu alloys from these Mg, Ni, and Cu nanoparticles has been successfully achieved in convenient conditions. High pressure differential scanning calorimetry (DSC) technique in hydrogen atmosphere was applied to study the synthesis and thermodynamic properties of the hydrogen absorption/desorption processes of nanostructured Mg-H, Mg-Ni-H, and Mg-Cu-H systems. Van’t Hoff equation o...

  15. Raman scattering and x-ray diffraction studies of polycrystalline CaCu3Ti4O12 under high-pressure

    DEFF Research Database (Denmark)

    Valim, D.; Filho, A. G. S.; Freire, P. T. C.

    2004-01-01

    remains stable up to the maximum pressure (5.3 GPa) we reached in this experiment. The pressure coefficients for the observed Raman modes were determined. This set of parameters was used for evaluating the stress developed in CCTO thin films. The high-pressure x-ray studies were extended up to 46 GPa...... and the data confirmed that the T-h structure remains stable up to this pressure. The pressure-volume data are well described by the Birch's equation of state. The experimental value of the zero pressure bulk modulus is B-0=212+/-2 GPa. Gruneisen parameters of CCTO were also determined....

  16. The particle image velocimetry method in the study of the dynamics of phase transitions induced by high pressures in triolein and oleic acid

    Science.gov (United States)

    Tefelski, D. B.; Kulisiewicz, L.; Wierschem, A.; Delgado, A.; Rostocki, A. J.; Siegoczyński, R. M.

    2011-03-01

    Particle image velocimetry (PIV) is an optical measurement method capable of providing visualisation of velocity field of particle flow in fluids. After analysis of data acquired in the form of an image sequence, it is possible to retrieve information about flow parameters as mean values of velocity, vorticity, shear and normal strain. This paper presents the results of high pressure experiments using this method applied to triolein and oleic acid samples in their phase transition region. A high pressure optical chamber, He-Ne laser and light-sheet optics together with a digital camera and image acquisition computer allow us to study the motion of particles in high pressure conditions. The set-up was similar to that presented in Özmutlu et al. [Momentum and energy transfer during phase change of water under high hydrostatic pressure, Innov. Food Sci. Emerg. Technol. 7(3) (2006), pp. 161-168] and Kulisiewicz et al. [Visualization of pressure-shift freezing and thawing of concentrated aqueous sucrose solutions, High Press. Res. 27(2) (2007), pp. 291-297]. The analysis of phase transition dynamics in triolein and oleic acid is an extension to the work presented in Tefelski et al. [The investigation of the dynamics of the phase transformation in triolein and oleic acid under pressure, J. Phys.: Conf. Ser. 121(142004) (2008), pp. 1-6]. Oleic acid is a monounsaturated fatty acid and has a bent rod shape. Triolein is a triglyceride and has a "chair"-like shape. It is the base particle of many vegetable oils, especially olive oil. Triolein consists of three chains of oleic acid bound by a glycerol part. Information obtained by the study of phase transitions dynamics is important for food science and food technology processes which involve high pressure treatment. The PIV method shows differences in the solidification process of both substances in time, the existence of inhomogeneities (layers of different densities in the observed flow) and allows us to calculate the

  17. The nonlinear anomalous lattice elasticity associated with the high-pressure phase transition in spodumene: A high precission static compression study

    CERN Document Server

    Ullrich, A; Miletich, R; 10.1007/s00269-009-0300-8

    2010-01-01

    The high-pressure behavior of the lattice elasticity of spodumene, LiAlSi2O6, was studied by static compression in a diamond-anvil cell up to 9.3 GPa. Investigations by means of single-crystal XRD and Raman spectroscopy within the hydrostatic limits of the pressure medium focus on the pressure ranges around similar to 3.2 and similar to 7.7 GPa, which have been reported previously to comprise two independent structural phase transitions. While our measurements confirm the well-established first-order C2/c-P2(1)/c transformation at 3.19 GPa (with 1.2% volume discontinuity and a hysteresis between 0.02 and 0.06 GPa), both unit-cell dimensions and the spectral changes observed in high-pressure Raman spectra give no evidence for structural changes related to a second phase transition. Monoclinic lattice parameters and unit-cell volumes at in total 59 different pressure points have been used to re-calculate the lattice-related properties of spontaneous strain, volume strain, and the bulk moduli as a function of pr...

  18. High pressure processing for food safety.

    Science.gov (United States)

    Fonberg-Broczek, Monika; Windyga, B; Szczawiński, J; Szczawińska, M; Pietrzak, D; Prestamo, G

    2005-01-01

    Food preservation using high pressure is a promising technique in food industry as it offers numerous opportunities for developing new foods with extended shelf-life, high nutritional value and excellent organoleptic characteristics. High pressure is an alternative to thermal processing. The resistance of microorganisms to pressure varies considerably depending on the pressure range applied, temperature and treatment duration, and type of microorganism. Generally, Gram-positive bacteria are more resistant to pressure than Gram-negative bacteria, moulds and yeasts; the most resistant are bacterial spores. The nature of the food is also important, as it may contain substances which protect the microorganism from high pressure. This article presents results of our studies involving the effect of high pressure on survival of some pathogenic bacteria -- Listeria monocytogenes, Aeromonas hydrophila and Enterococcus hirae -- in artificially contaminated cooked ham, ripening hard cheese and fruit juices. The results indicate that in samples of investigated foods the number of these microorganisms decreased proportionally to the pressure used and the duration of treatment, and the effect of these two factors was statistically significant (level of probability, P monocytogenes and A. hydrophila. Mathematical methods were applied, for accurate prediction of the effects of high pressure on microorganisms. The usefulness of high pressure treatment for inactivation of microorganisms and shelf-life extention of meat products was also evaluated. The results obtained show that high pressure treatment extends the shelf-life of cooked pork ham and raw smoked pork loin up to 8 weeks, ensuring good micro-biological and sensory quality of the products.

  19. 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.

  20. 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, ...

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

    Indian Academy of Sciences (India)

    2017-09-25

    Sep 25, 2017 ... 1Department of Chemistry, Indian Institute of Technology Delhi, New Delhi 110016, India. 2Centre for High Pressure ... the antagonistic pressure effects on the two classes of super- conductors, i.e., on applying ..... We observe a similar effect of negative pressure dependence of Tc by high-pressure mag-.

  2. Pulsed laser kinetic studies of liquids under high pressure. Progress report, November 25, 1991--September 18, 1992

    Energy Technology Data Exchange (ETDEWEB)

    Eyring, E.M.

    1992-09-22

    A laser flash photolysis kinetic study of 2,2{prime}-bipyridine bidentate chelating ligands with one claw in the first coordination sphere of a molybdenum carbonyl complex has been completed at pressures up to 150 MPa. The reaction mechanism for thermal ring closure is found from activation volumes to change from associative interchange to dissociative interchange as substituents on the 2,2{prime}-bipyridine ligands become bulkier. In a similar study of more rigid, substituted phenanthroline bidentate ligands it was found that substituent bulkiness had little effect on the thermal ring closure mechanism. Stability constants for lithium ion complexes with crown ethers in a room temperature molten salt, fluorescence quantum yields for cresyl violet and several other dyes in solution, and the oxidation of alcohols by OsO{sub 4} have also been investigated.

  3. Theoretical calculations of high-pressure phases of NiF2: An ab initio constant-pressure study

    Science.gov (United States)

    Kürkçü, Cihan; Merdan, Ziya; Öztürk, Hülya

    2016-12-01

    We have studied the structural properties of the antiferromagnetic NiF2 tetragonal structure with P42/ mnm symmetry using density functional theory (DFT) under rapid hydrostatic pressure up to 400 GPa. For the exchange correlation energy we used the local density approximation (LDA) of Ceperley and Alder (CA). Two phase transformations are successfully observed through the simulations. The structures of XF2-type compounds crystallize in rutile-type structure. NiF2 undergoes phase transformations from the tetragonal rutile-type structure with space group P42/ mnm to orthorhombic CaCl2-type structure with space group Pnnm and from this orthorhombic phase to monoclinic structure with space group C2/ m at 152 GPa and 360 GPa, respectively. These phase changes are also studied by total energy and enthalpy calculations. According to these calculations, we perdict these phase transformations at about 1.85 and 30 GPa.

  4. 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 bu...

  5. 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...... to operate a PEM electrolysis cell with the anode flow field serving as both. This allows for a simpler system and a thinner design, however sets new and more strict requirements for the flow field to distribute uniformly. For the present study, two computational fluid dynamics models are developed; a single...... 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...

  6. High temperatures and high pressures Brillouin scattering studies of liquid H(2)O+CO(2) mixtures.

    Science.gov (United States)

    Qin, Junfeng; Li, Min; Li, Jun; Chen, Rongyan; Duan, Zhenhao; Zhou, Qiang; Li, Fangfei; Cui, Qiliang

    2010-10-21

    The Brillouin scattering spectroscopy studies have been conducted in a diamond anvil cell for a liquid mixtures composed of 95 mol % H(2)O and 5 mol % CO(2) under high temperatures and pressures. The sound velocity, refractive index, density, and adiabatic bulk modulus of the H(2)O+CO(2) mixtures were determined under pressures up to the freezing point at 293, 453, and 575 K. It is found from the experiment that sound velocities of the liquid mixture are substantially lower than those of pure water at 575 K, but not at lower temperatures. We presented an empirical relation of the density in terms of pressure and temperature. Our results show that liquid H(2)O+CO(2) mixtures are more compressible than water obtained from an existing equation of state of at 453 and 575 K.

  7. Study of vibrational spectra of NH sub 4 Cl and NH sub 4 Br at high pressure

    CERN Document Server

    Glazkov, V P; Syrykh, G F; Kozlenko, D P; Savenko, B N; Telepnev, A S

    2002-01-01

    The NH sub 4 Cl vibrational spectra at the pressures up to 2.6 GPa and the NH sub 4 Br spectra at the pressures up to 7 GPa are studied through the method of the neutrons inelastic incoherent scattering. It is established that the linear baric dependence of the libration mode changes its inclination in the area above the pressure of transition from the disordered cubic phase to the ordered cubic phase with the CsCl-type structure. The baric dependence inclination of the cross-sectional optical translation mode remains unchanged. The evaluations of the Grueneisen parameters are presented in the one-dimensional approximation and the form of the potential function for the libration oscillations in the disordered and ordered cubic phases with the CsCl-type structure is calculated. It is shown that the observed effects are related to the high anharmonism of the potential in the disordered phase

  8. High-pressure jet injection of viscous solutions for endoscopic submucosal dissection: a study on ex vivo pig stomachs.

    Science.gov (United States)

    Pioche, Mathieu; Ciocirlan, Mihai; Lépilliez, Vincent; Salmon, Damien; Mais, Laetitia; Guillaud, Olivier; Hervieu, Valérie; Petronio, Marco; Lienhart, Isabelle; Adriano, Jean-Luc; Lafon, Cyril; Ponchon, Thierry

    2014-05-01

    Long-lasting lifting is a key factor during endoscopic submucosal dissection (ESD) and can be obtained by water-jet injection of saline solution or by injection of viscous macromolecular solutions. Combination of the jet injection and the macromolecular viscous solutions has never been used yet. We assessed the ability of a new water-jet system to inject viscous solutions in direct viewing and in retroflexion. We compared jet injection of saline solution and hyaluronate 0.5 % to perform ESD on ex vivo pig stomachs in order to evaluate the benefits of macromolecular solutions when injected by a jet-injector system. This is a prospective comparative study in pig stomachs. Using the jet injector, four viscous solutions were tested: hydroxyethyl starch, glycerol mix, hyaluronate sodic (0.5 %), and poloxamer mix. Ten ESDs larger than 25 mm (five in direct viewing and five in retroflexion) and one larger than 10 cm were performed with each solution. ESD with hyaluronate jet injection was then compared with ESD with saline jet injection by performing 50 ESDs in each group. A single, minimally-experienced operator conducted all the procedures. All 145 resections were complete, including all marking points with two perforations. Eleven jet ESDs per solution were conducted without any injection issue. In the second part of the study, when compared with saline, significant benefit of hyaluronate was observed on dissection speed (0.80 vs. 1.08 cm(2)/min, p < 0.001). This is the first report on a jet-injector system allowing injection of macromolecular viscous solutions even with retroflexed endoscope. Jet injection of macromolecular solutions can speed up dissection in comparison with saline, and should now be tested on humans.

  9. 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

  10. Crystal chemistry and Moessbauer spectroscopic analysis of clays around Riyadh for brick industry

    Energy Technology Data Exchange (ETDEWEB)

    Khalil, Mutasim I., E-mail: mkhalil@ksu.edu.sa [King Saud University, Department of Chemistry, College of Science (Saudi Arabia)

    2013-04-15

    A total of 30 clay samples were collected from the area around Riyadh city, Saudi Arabia. A complete chemical analysis was carried out using different techniques. X-ray diffraction studies showed that the clay samples were mainly of the smectite group with traces of the kaolinite one. The samples studied were classified as nontronite clay minerals. One of the clay fraction has been studied by Moessbauer spectroscopy as raw clay fraction and after being fired at 950-1,000 Degree-Sign C. The Moessbauer spectra showed accessory iron compounds in the form of hematite and goethite. The structural iron contents disintegrate on firing transforming into magnetic iron oxide and a paramagnetic small particles iron oxide.

  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. Extraterrestrial and terrestrial outdoor applications of Moessbauer spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Souza Junior, P.A. de

    2004-07-01

    Chapter 2 describes basic concepts of {sup 57}Fe Moessbauer spectroscopy, as well as some effects that can be investigated by this technique. The portable and miniaturized Moessbauer spectrometer (MIMOS II), developed by the group in Main z lead by Dr. Goestar Klingelhoefer, is presented in detail in chapter 3. The calibration procedures, functionality, and operational features are also presented. The analysis of a Moessbauer spectrum is described in detail in chapter 4. In this chapter the proposed analysis using genetic algorithms, fuzzy set theory, and artificial neural networks are discussed and some examples are demonstrated. The motivation of this development is to make a data analysis package available for fast fitting of the Moessbauer spectrum, and precise identification of minerals from Moessbauer parameters. In chapter 5 some outdoor terrestrial applications of MIMOS II are proposed. The chapter starts presenting the use of MIMOS II for in situ air pollution investigation in Vitoria, ES, Brazil. The instrument was adapted for the characterization of airborne particles in an industrial urban area. This chapter contains surface analysis of painted figures on ancient pottery, of fragments of Chinese wall paintings, and of a 'miniature' from the fifteenth century; and the characterization of a Celtic helmet knob to determine whether it was burned in sacrifices. The authenticity of fragments of a Roman mask is verified with the Moessbauer spectrum obtained with MIMOS II. The characterization of corrosion products in archaeological artifacts is also reported. For this characterization it was necessary to supplement data from X-ray diffraction and SQUID (Superconducting Quantum Interference Device). Chapter 6 is devoted to extraterrestrial applications, starting with the results on Moessbauer characterization of some meteorites. Detailed discussion of data obtained by MIMOS II onboard of the rover Spirit at the Mars surface and comparison of

  13. Angle-dependent hard X-ray photoemission study of Nb hydride formation in high-pressure supercritical water

    Energy Technology Data Exchange (ETDEWEB)

    Soda, Kazuo, E-mail: j45880a@cc.nagoya-u.ac.jp [Department of Quantum Engineering, Graduate School of Engineering, Nagoya University, Furo-cho, Chikusa-ku, Nagoya 464-8603 (Japan); Kondo, Hiroki; Yamaguchi, Kanta; Kato, Masahiko [Department of Quantum Engineering, Graduate School of Engineering, Nagoya University, Furo-cho, Chikusa-ku, Nagoya 464-8603 (Japan); Shiraki, Tatsuhito; Niwa, Ken; Kusaba, Keiji; Hasegawa, Masashi [Department of Crystalline Materials Science, Graduate School of Engineering, Nagoya University, Furo-cho, Chikusa-ku, Nagoya 464-8603 (Japan); Xeniya, Kozina; Ikenaga, Eiji [Japan Synchrotron Radiation Research Institute, 1-1-1, Kouto, Sayo-cho, Sayo-gun, Hyogo 679-5198 (Japan)

    2015-09-15

    Highlights: • Nb hydrides in 10-GPa supercritical water are studied by photoelectron spectroscopy. • The hydride components of the Nb 3d core-level spectra are increased with the depth. • The bulk valence-band spectrum shows a split band due to the Nb–H bond formation. • The hydrides are formed in the bulk and their surfaces are covered with Nb oxides. - Abstract: Nb hydrides formation in 10-GPa supercritical water has been investigated by angle-dependent micro-beam hard X-ray photoemission spectroscopy. In the Nb 3d core-level spectra, Nb hydride components are found in the slightly high binding energy side of the metallic components, and the oxide ones are observed even though little oxides are recognized in X-ray diffraction patterns. Obtained emission-angle dependence of the Nb 3d core-level spectra of Nb hydride specimens shows that the Nb hydride components increase with the emission angle decreased i.e. the sampling depth increased, while the oxide ones decrease. The bulk valence-band spectrum is obtained by decomposing the measured valence-band spectra into a bulk and surface components with use of the emission-angle dependence of the core-level and valence-band spectra; it consists of two bands. This implies the Nb–H chemical bond formation and Nb in an oxidation state, consistent with reported band structure calculations and the observed core-level chemical shifts. Thus it is confirmed by valence-band and core-level photoelectron spectroscopy that the Nb hydrides are formed inside the specimen, irrespective to the well-known high oxidation ability of supercritical water.

  14. Electrokinetic high pressure hydraulic system

    Science.gov (United States)

    Paul, Phillip H.; Rakestraw, David J.; Arnold, Don W.; Hencken, Kenneth R.; Schoeniger, Joseph S.; Neyer, David W.

    2001-01-01

    An electrokinetic high pressure hydraulic pump for manipulating fluids in capillary-based systems. The pump uses electro-osmotic flow to provide a high pressure hydraulic system, having no moving mechanical parts, for pumping and/or compressing fluids, for providing valve means and means for opening and closing valves, for controlling fluid flow rate, and manipulating fluid flow generally and in capillary-based systems (Microsystems), in particular. The compact nature of the inventive high pressure hydraulic pump provides the ability to construct a micro-scale or capillary-based HPLC system that fulfills the desire for small sample quantity, low solvent consumption, improved efficiency, the ability to run samples in parallel, and field portability. Control of pressure and solvent flow rate is achieved by controlling the voltage applied to an electrokinetic pump.

  15. 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.

  16. 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

  17. 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.

  18. Crystal structure and high-pressure studies of WAl 2, an aluminide crystallizing with the CrSi 2 structure type

    Science.gov (United States)

    Gu, Q. F.; Jung, D. Y.; Krauss, G.; Steurer, W.

    2008-10-01

    The novel intermetallic compound WAl 2 crystallizes with space group P6 422 and lattice parameters a=4.7422(1) Å, c=6.6057(2) Å. The crystal structure was solved from single-crystal X-ray diffraction data. WAl 2 was found to be the first aluminide that is isotypic with CrSi 2. A high-pressure powder X-ray diffraction study showed its stability up to at least 31.5(1) GPa. The bulk modulus was calculated by fitting a third-order Birch-Murnaghan equation of state to the pressure-volume data as K0=168(11) GPa and its pressure derivative K'=7.7(1.0). Partially covalent bonding between W and Al atoms was indicated by means of the electron localization function (ELF) and explains the anisotropic compression behavior. Quantum chemical calculations identify WAl 2 as a potential high-temperature phase.

  19. Electrokinetic high pressure hydraulic system

    Science.gov (United States)

    Paul, Phillip H.; Rakestraw, David J.

    2000-01-01

    A compact high pressure hydraulic pump having no moving mechanical parts for converting electric potential to hydraulic force. The electrokinetic pump, which can generate hydraulic pressures greater than 2500 psi, can be employed to compress a fluid, either liquid or gas, and manipulate fluid flow. The pump is particularly useful for capillary-base systems. By combining the electrokinetic pump with a housing having chambers separated by a flexible member, fluid flow, including high pressure fluids, is controlled by the application of an electric potential, that can vary with time.

  20. New information on Moessbauer and phase transition properties of Z-type hexaferrites

    Energy Technology Data Exchange (ETDEWEB)

    Elkady, H.A. [Suez Canal University (Egypt); Abou-Sekkina, M.M. [Tanta University (Egypt); Nagorny, K. [Hamburg University (Germany)

    2000-11-15

    In this paper various cation substituted Z-hexaferrites, prepared by the usual ceramic procedure and firing at a relatively low temperature (980 deg. C) in a 2 atm. oxygen pressure are discussed. On these materials extensive studies were undertaken, X-ray diffraction, IR absorption, scanning electronmicroscopy and a Moessbauer spectroscopy. Data obtained are explained, and discussed in details, leading to new information about the interaction of variant doped cation with the Z-hexaferrite Fe sites.

  1. The nonlinear anomalous lattice elasticity associated with the high-pressure phase transition in spodumene: a high-precision static compression study

    Science.gov (United States)

    Ullrich, Angela; Schranz, Wilfried; Miletich, Ronald

    2009-12-01

    The high-pressure behavior of the lattice elasticity of spodumene, LiAlSi2O6, was studied by static compression in a diamond-anvil cell up to 9.3 GPa. Investigations by means of single-crystal XRD and Raman spectroscopy within the hydrostatic limits of the pressure medium focus on the pressure ranges around ~3.2 and ~7.7 GPa, which have been reported previously to comprise two independent structural phase transitions. While our measurements confirm the well-established first-order C2/ c- P21/ c transformation at 3.19 GPa (with 1.2% volume discontinuity and a hysteresis between 0.02 and 0.06 GPa), both unit-cell dimensions and the spectral changes observed in high-pressure Raman spectra give no evidence for structural changes related to a second phase transition. Monoclinic lattice parameters and unit-cell volumes at in total 59 different pressure points have been used to re-calculate the lattice-related properties of spontaneous strain, volume strain, and the bulk moduli as a function of pressure across the transition. A modified Landau free energy expansion in terms of a one component order parameter has been developed and tested against these experimentally determined data. The Landau solution provides a much better reproduction of the observed anomalies than any equation-of-state fit to data sets truncated below and above P tr, thus giving Landau parameters of K 0 = 138.3(2) GPa, K' = 7.46(5), λ V = 33.6(2) GPa, a = 0.486(3), b = -29.4(6) GPa and c = 551(11) GPa.

  2. High pressure neon arc lamp

    Science.gov (United States)

    Sze, Robert C.; Bigio, Irving J.

    2003-07-15

    A high pressure neon arc lamp and method of using the same for photodynamic therapies is provided. The high pressure neon arc lamp includes a housing that encloses a quantity of neon gas pressurized to about 500 Torr to about 22,000 Torr. At each end of the housing the lamp is connected by electrodes and wires to a pulse generator. The pulse generator generates an initial pulse voltage to breakdown the impedance of the neon gas. Then the pulse generator delivers a current through the neon gas to create an electrical arc that emits light having wavelengths from about 620 nanometers to about 645 nanometers. A method for activating a photosensitizer is provided. Initially, a photosensitizer is administered to a patient and allowed time to be absorbed into target cells. Then the high pressure neon arc lamp is used to illuminate the target cells with red light having wavelengths from about 620 nanometers to about 645 nanometers. The red light activates the photosensitizers to start a chain reaction that may involve oxygen free radicals to destroy the target cells. In this manner, a high pressure neon arc lamp that is inexpensive and efficiently generates red light useful in photodynamic therapy is provided.

  3. High Pressure Research on Materials

    Indian Academy of Sciences (India)

    basic types of apparatus that are now being used throughout the world. He was awarded the Nobel Prize in Physics in 1946. The static high pressure generating devices can be divided into two categories: piston-cylinder and opposed anvil devices. These devices with their pressure capabilities are listed in Figure 4.

  4. Spectroscopic Study of Solvation Properties of Room-Temperature Ionic Liquids and Solvent Effect on Bimolecular Fluorescence Quenching Reaction at High Pressures

    National Research Council Canada - National Science Library

    KOMETANI, Noritsugu; MINAMIKAWA, Yoshinori

    2013-01-01

      The solvation properties of some room-temperature ionic liquids (RTILs) and the solvent effect on bimolecular fluorescence quenching reaction have been examined at high pressures ranging from 0.1 to 300 MPa...

  5. Mineral identification in Colombian coals using Moessbauer spectroscopy and X-ray diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Fajardo, M. [Universidad del Valle, A.A, Departamento de Fisica (Colombia); Mojica, J. [Instituto Nacional de Investigaciones en Geociencia, Mineria y Quimica (INGEOMINAS) (Colombia); Barraza, J. [Universidad del Valle, A.A, Departamento de Procesos Quimicos, Facultad de Ingenieria (Colombia); Perez Alcazar, G.A.; Tabares, J.A. [Universidad del Valle, A.A, Departamento de Fisica (Colombia)

    1999-11-15

    Minerals were identified in three Colombian coal samples from the Southwest of the country using Moessbauer spectroscopy and X-ray diffraction. Original and sink separated coal fractions of specific gravity 1.40 and 1.60 with particle size less than 600 {mu}m were used in the study. Using Moessbauer spectroscopy, the minerals identified in the original coal samples were pyrite jarosite, ankerite, illite and ferrous sulfate, whereas by means of X-ray diffraction, minerals identified were kaolinite, quartz, pyrite, and jarosite. Differences in mineral composition were found in the original and sink separated fractions using both techniques. Moessbauer spectra show that the mineral phases in low concentrations such as illite, ankerite and ferrous sulfate do not always appear in the spectra of sink coals, despite of those minerals occurring in the original coal, due to the fact that they are associated with the organic matter and not liberated in the grinding process. X-ray results show that the peak intensity grows as the specific gravity is increased indicating that the density separation method could be an effective process to clean coal.

  6. Relationship Between Far Field Stresses, Fluid Flow and High-Pressure Deserpentinization in Subducting Slabs: a Case Study From the Almirez Ultramafic Massif

    Science.gov (United States)

    Dilissen, Nicole; Hidas, Károly; Garrido, Carlos J.; López Sánchez-Vizcaíno, Vicente; Kahl, Wolf-Achim; Padrón-Navarta, José Alberto; Jesús Román-Alpiste, Manuel

    2017-04-01

    Serpentinite dehydration during prograde metamorphism plays a crucial role in subduction dynamics. Observations from exhumed paleo-subduction metamorphic terranes suggest that the discharge of deserpentinization fluids from the subducting slab takes place along different pathways and mechanisms [e.g. 1-3]. Analysis of intermediate-depth focal solutions in active subduction zones indicates that slabs are subjected to different principal stress fields characterized primarily by downdip compression and downdip tension [4]. Although it is well known that far field stresses play a crucial role on fluid flow channeling, their potential impact on the kinetics of serpentinite dehydration and subsequent fluid escape in subducting slabs is still poorly understood. Here, we present a detailed structural and microstructural study to investigate the relationships between far field stresses, fluid flow and high-pressure deserpentinization in the Almirez ultramafic massif (Betic Cordillera, SE Spain) [1, 2]. This massif preserves the high-pressure breakdown of antigorite (Atg-) serpentinite to prograde chlorite (Chl-) harzburgite, which are separated by a sharp isograd [2, 5]. The Chl-harzburgite reaction products show either a granofels or spinifex-like texture indicating crystallization under different overstepping of the Atg-out reaction. The two different textural types of Chl-harzburgite occur below the Atg-out isograd as alternating, meter-wide lenses with either a granofels or spinifex texture. From field measurements, we infer that during antigorite dehydration the minimum compressive stress was subnormal to the dehydration front and the paleo-slab surface. This stress field is consistent with subduction zones with slabs under downdip compression at intermediate depths [4]. The detailed microstructural study —combining µ-CT and EBSD-SEM [6]— of Chl-harzburgite across a c. 15 m wide lens reveals that the SPO and CPO of olivines with contrasting textures are strongly

  7. Phenomenological simulation and density functional theory prediction of {sup 57}Fe Moessbauer parameters: application to magnetically coupled diiron proteins

    Energy Technology Data Exchange (ETDEWEB)

    Rodriguez, Jorge H., E-mail: jhrodrig@purdue.edu [Purdue University, Department of Physics (United States)

    2013-04-15

    The use of phenomenological spin Hamiltonians and of spin density functional theory for the analysis and interpretation of Moessbauer spectra of antiferromagnetic or ferromagnetic diiron centers is briefly discussed. The spectroscopic parameters of the hydroxylase component of methane monooxygenase (MMOH), an enzyme that catalyzes the conversion of methane to methanol, have been studied. In its reduced diferrous state (MMOH{sub Red}) the enzyme displays {sup 57}Fe Moessbauer and EPR parameters characteristic of two ferromagnetically coupled high spin ferrous ions. However, Moessbauer spectra recorded for MMOH{sub Red} from two different bacteria, Methylococcus capsulatus (Bath) and Methylosinus trichosporium OB3b, display slightly different electric quadrupole splittings ({Delta}E{sub Q}) in apparent contradiction to their essentially identical active site crystallographic structures and biochemical functions. Herein, the Moessbauer spectral parameters of MMOH{sub Red} have been predicted and studied via spin density functional theory. The somewhat different {Delta}E{sub Q} recorded for the two bacteria have been traced to the relative position of an essentially unbound water molecule within their diiron active sites. It is shown that the presence or absence of the unbound water molecule mainly affects the electric field gradient at only one iron ion of the binuclear active sites.

  8. High-pressure structural study of fluoro-perovskite CsCdF3 up to 60 GPa: A combined experimental and theoretical study

    DEFF Research Database (Denmark)

    Vaitheeswaran, G.; Kanchana, V.; Kumar, Ravhi S.

    2010-01-01

    The structural behavior of CsCdF3 under pressure is investigated by means of theory and experiment. High-pressure powder x-ray diffraction experiments were performed up to a maximum pressure of 60 GPa using synchrotron radiation. The cubic Pm3̅ m crystal symmetry persists throughout this pressure...... constant, bulk modulus and elastic constants-are in good agreement with experimental results. The calculations reveal that CsCdF3 is an indirect-gap insulator under ambient conditions, with the gap increasing under pressure....

  9. Experimental and first-principles studies of high-pressure effects on the structural, electronic, and optical properties of semiconductors and lanthanide doped solids

    Science.gov (United States)

    Brik, Mikhail G.; Mahlik, Sebastian; Jankowski, Dawid; Strak, Pawel; Korona, Krzysztof P.; Monroy, Eva; Krukowski, Stanislaw; Kaminska, Agata

    2017-05-01

    In this paper we present a broad overview of our recent experimental and theoretical results obtained for different types of materials: CdTe and CuGa1- x In x S2 chalcopyrite semiconductors, GaN/AlN wide band gap semiconductor quantum wells, and lanthanide-doped dielectric materials. The analysis of pressure-induced phase transitions, variations of the band gaps, refractive index and the pressure dependence of optical properties of these materials is discussed. The presented results show that the high pressure technique is a very useful tool for scientific research and development of of light-emitting technologies. It allows for identification of radiative recombination mechanisms in solid-state light emitters. In polar III-nitride semiconductors, ab initio calculations revealed that the pressure-induced change of the band gap plays minor role, whereas the built-in electric field in heterostructures increases with pressure thus affecting their basic physical properties, i.e., producing a large red-shift of the photoluminescence and lowering the quantum efficiency due to the quantum confined Stark effect. For wide (>4 nm) quantum wells, the reduction of the band-to-band emission efficiency leads to deep defect dominant emission which is almost pressure independent. The observed behavior proves that pressure investigations combined with ab initio calculations can identify the nature of the optical transitions and the main physical factors affecting the radiative efficiency in polar quantum well systems. Furthermore, high pressure studies of the emission and excitation spectra of Y2O2S doped with Tb3+ and Eu3+ allowed estimating the energies of the ground states of all divalent and trivalent lanthanide ions in respect to the valence and conduction band edges of the Y2O2S host. Band gap energy and difference between energies of the ground states of lanthanide ions and band edges have been calculated as a function of pressure. It is shown that pressure causes an

  10. A High-Pressure Raman Study of Mixed Perovskites BaCe xZr 1- xO 3 (0≤ x≤1)

    Science.gov (United States)

    Chemarin, C.; Rosman, N.; Pagnier, T.; Lucazeau, G.

    2000-02-01

    A high-pressure Raman study of polycrystalline samples of BaCexZr1-xO3 is performed at room temperature. The evolution of Raman spectra with pressure is compared to the evolution of the Raman spectra of BaZrO3 and BaCeO3. The effect of composition on the pressure-induced phase transitions is monitored from the Raman spectra. Transitions toward lower symmetry phases as pressure increases are evidenced. A phase diagram in the binary system BaZrO3-BaCeO3 based on the Raman spectra characteristic of the different structures of BaCeO3 (Pnma, Imma, Roverline3c, Pm3m) is proposed. The transition pressures toward low-symmetry structures decrease when Ce is replaced for Zr. This study allows us to interpret the BaCexZr1-xO3 (0≤x≤1) Raman spectra at ambient pressure on the basis of nanodomains and nanophases. These objects tend to disappear upon pressure increase. The octahedra to dodecahedra volumes ratio is used as a critical parameter that is able to reproduce qualitatively some of the phase transitions in the mixed perovskites BaCexZr1-xO3. In order to calculate this parameter vs pressure, a derivation of the samples' compressibility based on a polyhedral approach is performed and is found in the range [0.7×10-11-1.0×10-11 Pa-1].

  11. 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.

  12. Self-diffusion in supercritical water and benzene in high-temperature high-pressure conditions studied by NMR and dynamic solvation-shell model

    Science.gov (United States)

    Yoshida, Ken; Matubayasi, Nobuyuki; Uosaki, Yasuhiro; Nakahara, Masaru

    2010-03-01

    The self-diffusion coefficients of water and organic solvents in the high-temperature high-pressure conditions are studied by using high-temperature NMR and MD simulation methods. The experimental results are analyzed using a scheme based on the solvation shell relaxation time obtained by MD simulation. The dynamic effect of hydrogen bonding is discussed through the comparison between water and a nonpolar organic solvent, benzene, over a wide range of density and temperature. The hydrogen-bonding effects are as follows: (1) the self-diffusion coefficient of water depends on density more weakly than that of benzene, (2) the self-diffusion coefficient of water at the ambient density depends on temperature more strongly than that of benzene at the density, (3) the turnover from the mobile-shell type to the in-shell type with increasing density does not occur in supercritical water up to the ambient density, whereas such turnover is observed in benzene. These contrasts are reflecting the dynamic effect of the anisotropic attractive interactions.

  13. Study of electrical conductivity response upon formation of ice and gas hydrates from salt solutions by a second generation high pressure electrical conductivity probe.

    Science.gov (United States)

    Sowa, Barbara; Zhang, Xue Hua; Kozielski, Karen A; Dunstan, Dave E; Hartley, Patrick G; Maeda, Nobuo

    2014-11-01

    We recently reported the development of a high pressure electrical conductivity probe (HP-ECP) for experimental studies of formation of gas hydrates from electrolytes. The onset of the formation of methane-propane mixed gas hydrate from salt solutions was marked by a temporary upward spike in the electrical conductivity. To further understand hydrate formation a second generation of window-less HP-ECP (MkII), which has a much smaller heat capacity than the earlier version and allows access to faster cooling rates, has been constructed. Using the HP-ECP (MkII) the electrical conductivity signal responses of NaCl solutions upon the formation of ice, tetrahydrofuran hydrates, and methane-propane mixed gas hydrate has been measured. The concentration range of the NaCl solutions was from 1 mM to 3M and the driving AC frequency range was from 25 Hz to 5 kHz. This data has been used to construct an "electrical conductivity response phase diagrams" that summarize the electrical conductivity response signal upon solid formation in these systems. The general trend is that gas hydrate formation is marked by an upward spike in the conductivity at high concentrations and by a drop at low concentrations. This work shows that HP-ECP can be applied in automated measurements of hydrate formation probability distributions of optically opaque samples using the conductivity response signals as a trigger.

  14. 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.

  15. Sum frequency generation vibrational spectroscopy studies of adsorbates on Pt(111): Studies of CO at high pressures and temperatures, coadsorbed with olefins and its role as a poison in ethylene hydrogenation

    Energy Technology Data Exchange (ETDEWEB)

    Kung, Kyle Yi [Univ. of California, Berkeley, CA (United States)

    2000-12-01

    High pressure high temperature CO adsorption and coadsorption with ethylene and propylene on Pt(111) was monitored in situ with infrared-visible sum frequency generation (SFG). At high pressures and high temperatures, CO dissociates on a Pt(111) surface to form carbon. At 400 torr CO pressure and 673K, CO modifies the Pt(111) surface through a carbonyl intermediate, and dissociates to leave carbon on the surface. SFG was used to follow the CO peak evolution from monolayer adsorption in ultra high vacuum (UHV) to 400 torr CO pressure. At this high pressure, a temperature dependence study from room temperature to 823K was carried out. Auger electron spectroscopy was used to identify carbon on the surface CO coadsorption with ethylene and CO coadsorption with propylene studies were carried out with 2-IR 1-visible SFG. With this setup, two spectral ranges covering the C-H stretch range and the CO stretch range can be monitored simultaneously. The coadsorption study with ethylene reveals that after 5L ethylene exposure on a Pt(111) surface to form ethylidyne , CO at high pressures cannot completely displace the ethylidyne from the surface. Instead, CO first adsorbs on defect sites at low pressures and then competes with ethylidyne for terrace sites at high pressures. Propylene coadsorption with CO at similar conditions shows that propylidyne undergoes conformation changes with increased CO pressure and at 1 torr, is absent from the Pt(111) surface. Experiments on CO poisoning of ethylene hydrogenation was carried by 2-IR 1-visible SFG. At 1 torr CO,10 torr ethylene and 100 torr hydrogen, CO was found to block active sites necessary for ethylene hydrogenation, Above 425K, CO desorbs from the surface to allow ethylene hydrogenation to occur. The gas phase species were monitored by gas chromatography.

  16. Carbon nanostructures under high pressure

    CERN Document Server

    Sundqvist, B

    2002-01-01

    Results from recent high-pressure experiments in the field of fullerenes are briefly reviewed. In particular, new results on one-, two- and three-dimensional polymerized C sub 6 sub 0 and C sub 7 sub 0 are discussed. Results discussed include the first synthesis of a well defined, one-dimensional polymer based on C sub 7 sub 0 , transformations from two-dimensional (2D) to three-dimensional phases in C sub 6 sub 0 , and doping of 2D C sub 6 sub 0 polymers.

  17. 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

  18. 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)

  19. A high pressure infrared spectroscopic study of PbCO3-cerussite: constraints on the structure of the post-aragonite phase

    Science.gov (United States)

    Catalli, K.; Santillán, J.; Williams, Q.

    2005-09-01

    We have measured the infrared spectrum of aragonite-structured PbCO3-cerussite to 41 GPa at 300 K in the diamond anvil cell. We observed a phase transition from an orthorhombic to a trigonal structure beginning at 15 GPa, manifested by a splitting of the ν2-out-of-plane bending vibration and a broadening and dramatic decrease in amplitude of the ν1-symmetric stretching vibration of the carbonate group. While the locations of the ν1-symmetric stretching and ν4-in-plane bending bands are similar between the low- and high-pressure phases, their mode shifts and peak shapes change markedly near the transition. In particular, the ν1 symmetric stretch has an essentially zero pressure shift in the high pressure phase, and its dramatically enhanced peak width indicates that it may be symmetry forbidden. The decreased mode shifts of the carbonate vibrations after the phase transition suggest that the carbonate group is less compressible in the new structure. The spectral changes observed are consistent with a small, trigonal unit cell, with space group {Pbar{3}{1c}} and two formula units, instead of a previously proposed orthorhombic cell with sixteen formula units. This structure is identical to that of the high-pressure phase of BaCO3, and likely CaCO3 as well. Our results thus indicate that the post-aragonite, high-pressure phase of divalent-cation carbonates may be a comparatively high-symmetry trigonal structure.

  20. Double-peaked high-pressure zone at the esophagogastric junction in controls and in patients with a hiatal hernia : A study using high-resolution manometry

    NARCIS (Netherlands)

    Bredenoord, AJ; Weusten, BLAM; Carmagnola, S; Smout, AJPM

    The lower esophageal high-pressure zone (HPZ) consists of the intrinsic lower esophageal sphincter (LES) and the diaphragmatic sphincter. In patients with a hiatal hernia these constituents are separated. We performed high-resolution manometry of the esophagogastric HPZ in six controls, six patients

  1. Double-peaked high-pressure zone at the esophagogastric junction in controls and in patients with a hiatal hernia: a study using high-resolution manometry

    NARCIS (Netherlands)

    Bredenoord, A. J.; Weusten, B. L. A. M.; Carmagnola, S.; Smout, A. J. P. M.

    2004-01-01

    The lower esophageal high-pressure zone (HPZ) consists of the intrinsic lower esophageal sphincter (LES) and the diaphragmatic sphincter. In patients with a hiatal hernia these constituents are separated. We performed high-resolution manometry of the esophagogastric HPZ in six controls, six patients

  2. observed by high pressure NMR and NQR

    Indian Academy of Sciences (India)

    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 (AF) region besides the previously observed 29Si. NMR signals which come ...

  3. Development of a high pressure automated lag time apparatus for experimental studies and statistical analyses of nucleation and growth of gas hydrates.

    Science.gov (United States)

    Maeda, Nobuo; Wells, Darrell; Becker, Norman C; Hartley, Patrick G; Wilson, Peter W; Haymet, Anthony D J; Kozielski, Karen A

    2011-06-01

    Nucleation in a supercooled or a supersaturated medium is a stochastic event, and hence statistical analyses are required for the understanding and prediction of such events. The development of reliable statistical methods for quantifying nucleation probability is highly desirable for applications where control of nucleation is required. The nucleation of gas hydrates in supercooled conditions is one such application. We describe the design and development of a high pressure automated lag time apparatus (HP-ALTA) for the statistical study of gas hydrate nucleation and growth at elevated gas pressures. The apparatus allows a small volume (≈150 μl) of water to be cooled at a controlled rate in a pressurized gas atmosphere, and the temperature of gas hydrate nucleation, T(f), to be detected. The instrument then raises the sample temperature under controlled conditions to facilitate dissociation of the gas hydrate before repeating the cooling-nucleation cycle again. This process of forming and dissociating gas hydrates can be automatically repeated for a statistically significant (>100) number of nucleation events. The HP-ALTA can be operated in two modes, one for the detection of hydrate in the bulk of the sample, under a stirring action, and the other for the detection of the formation of hydrate films across the water-gas interface of a quiescent sample. The technique can be applied to the study of several parameters, such as gas pressure, cooling rate and gas composition, on the gas hydrate nucleation probability distribution for supercooled water samples. © 2011 American Institute of Physics

  4. 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.

  5. 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

  6. Cementing liners through deep high pressure ones

    Energy Technology Data Exchange (ETDEWEB)

    Mahony, B.J.; Barrios, J.R.

    1974-03-01

    Entry of gas into the liner-hole annulus during and after cementing liners though deep high pressure zones, generally results in a gas cut cement column from depth of gas entry to top of liner. Prior to undertaking design of liner cementation, it is necessary to know fracture pressure limits of the formations. It is also necessary to know the formation pore pressure or the pressure required to hold gas in the formation and precisely the depth of formation from which gas emerges. This knowledge may be gained from a study of formation pressure gradients of nearby wells or from sonic log analysis of the interval being readied for cementation. Both single-stage and 2-stage techniques are used to solve liner cementing problems in these high pressure zones. An example sets out conditions which are more or less typical and demonstrates how the problem may be considered and solved.

  7. Inelastic neutron scattering to very high pressures

    Science.gov (United States)

    Klotz, S.; Braden, M.; Besson, J. M.

    2000-11-01

    Progress in high-pressure and neutron scattering methods has recently allowed measurements of phonon dispersion curves of simple solids at high pressures to 10 GPa. In this technique single crystals of 10 25 mm3 volume are compressed by the Paris-Edinburgh cell and the phonon frequencies are measured on high-flux triple axis spectrometers. Detailed studies of the lattice dynamics of low-compressible systems are feasible, including measurements of mode Grüneisen parameters, elastic constants, and precursor effects of phase transitions. We describe the experimental set-up and illustrate its potential by results on semiconductors (Ge and GaSb) and metals (Fe and Zn) obtained at the LLB (Saclay) and ILL (Grenoble) reactor sources.

  8. 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

  9. [Interest of a systematic second-look at 48-72 hours in high-pressure injections of paint: an animal study].

    Science.gov (United States)

    Chaput, B; Courtade-Saïdi, M; De Bonnecaze, G; Rongieres, M; Apredoaei, C; Grolleau, J-L; Garrido, I

    2012-08-01

    High-pressure injections (HPI) in the hand are rare and their prognosis is often tragic, some authors report up to 48% of amputations. Poorly standardized, their management is often too late and inadequate. The HPI of paint results in inoculation of toxic particles in depth that are particularly difficult to remove surgically. The persistence of this foreign material maintains local inflammation and increases the risk of infection. We wanted to simulate in rats, the physiopathology of HPI with paint. The aim of this study is to authenticate an advantage to achieve consistently a second surgical debridement at 48-72 hours in HPI with paint. Six rats were injected with 200 bars of white glycerophtalic paint in the leg. At six hours and then every 24 hours for four days, we did a debridement and a surgical washing, then at the end of intervention a tissue sample was analyzed by histology. Despite surgical debridement and thorough washing, at each step we found the persistence of painting in the intermuscular septa by light microscopy. From 24 hours, a necroinflammatory process is set up with an influx of neutrophils, organizing themselves into micro-abscesses. It will be very deleterious, initially by encouraging risk of sepsis, and then facilitating the formation of extensive fibrosis, which is the cause of functional impairment. We established the kinetics of tissue under HPI with paint using an animal model. It appears that single emergency surgery is insufficient to manage this "septic compartment syndrome". Therefore, we recommend a systematic surgical "second look" at 48-72 hours to complete the debridement of residual inoculum and necrotic tissue without wound closure. Copyright © 2011. Published by Elsevier SAS.

  10. Contactless measurement of electrical conductivity for bulk nanostructured silver prepared by high-pressure torsion: A study of the dissipation process of giant strain

    Science.gov (United States)

    Mito, Masaki; Shibayama, Keisuke; Deguchi, Hiroyuki; Tsuruta, Kazuki; Tajiri, Takayuki; Edalati, Kaveh; Horita, Zenji

    2017-09-01

    We measured the electrical conductivity of bulk nanostructured silver prepared by high-pressure torsion (HPT) in a contactless manner by observing the AC magnetic susceptibility resulting from the eddy current, so that we could quantitatively analyze the dissipation process of the residual strain with sufficient time resolution as a function of temperature T and initial shear strain γ. The HPT process was performed at room temperature under a pressure of 6 GPa for revolutions N = 0-5, and we targeted a wide range of residual shear strains. The contactless measurement without electrode preparation enabled us to investigate both the fast and slow dissipation processes of the residual strain with sufficient time resolution, so that a systematic study of these processes became possible. The changes in the electrical conductivity as a function of N at room temperature were indeed consistent with changes in the Vickers microhardness; furthermore, they were also related to changes in structural parameters such as the preferred orientation, the interplanar distance, and the crystallite size. The dissipation process at N = 1, corresponding to γ ≈ 30, was the largest and the fastest. For N = 5, corresponding to γ ≈ 140, we considered the effects of grain boundaries, as well as those of dislocations. The strain dissipation was quite slow below T = 290 K. According to the analytical results, it became successful to conduct the quantitative evaluation of the strain dissipation at arbitrary temperatures: For instance, the relaxation times at T = 280 and 260 K were estimated to be 3.6 and 37 days, respectively.

  11.  Pressure-induced Fe↔Cu cationic valence exchange and its structural consequences: High-pressure studies of delafossite CuFeO2

    Science.gov (United States)

    Xu, W. M.; Rozenberg, G. Kh.; Pasternak, M. P.; Kertzer, M.; Kurnosov, A.; Dubrovinsky, L. S.; Pascarelli, S.; Munoz, M.; Vaccari, M.; Hanfland, M.; Jeanloz, R.

    2010-03-01

    The present high-pressure studies of CuFeO2 to 30 GPa using x-ray diffraction, along with F57e Mössbauer and Fe and CuK -edge x-ray absorption spectroscopy methods, reveal a sequence of intricate structural/electronic-magnetic pressure-induced transitions. The low-pressure R3¯m structure (0-18 GPa) is composed of sheets of FeS=5/23+ ions alternating with layers of O-CuS=01+-O dumbbells, the latter oriented along the c axis. This structure is characterized by an unusual positive d(c/a)/dP . At 18 GPa a structural transition takes place to a more isotropic C2/c structure with the O-CuS=01+-O axis tilted 28° from the c axis and with negative d(c/a)/dP . This transition corroborates with the onset of long-range antiferromagnetic order. Starting at ˜23GPa , with an initial volume reduction in ˜|ΔV/V0|=0.16 , the Cu-Fe bands overlap and this leads to a (CuS=01+FeS=5/23+)→(CuS=1/22+FeS=22+) interionic valence exchange in about 1/3 of the C2/c-CuFeO2 at 27 GPa. As a result: (i) the Cu2+-O becomes fourfold coordinated and is in a new crystallographic structure with space group P3¯m , and (ii) the Néel temperature increases above twofold [TN(CuS=1/22+FeS=22+)≈2.2TN(CuS=01+FeS=5/23+)] . This sequence of transitions is reversible with minimal hysteresis.

  12. Ultra-high pressure liquid chromatography-tandem mass spectrometry method for the determination of omarigliptin in rat plasma and its application to a pharmacokinetic study in rats.

    Science.gov (United States)

    Li, Meng-Fang; Hu, Xiao-Xia; Ma, Ai-Qun

    2017-10-01

    Omarigliptin is a novel long-acting dipeptidyl peptidase-4 inhibitor used for the treatment of type 2 diabetes. In this work, a sensitive and selective ultra-high pressure liquid chromatography tandem mass spectrometry method was developed and validated for the determination of omarigliptin in rat plasma. Sample preparation was performed by protein precipitation with acetonitrile. Chromatographic separation of analytes was achieved on an RRHD Eclipse Plus C18 column (2.1 × 50 mm, 1.8 μm), using gradient mobile phase (0.1% formic acid-acetonitrile) at a flow rate of 0.4 mL/min. Detection was performed in multiple reaction monitoring mode, with target fragment ions m/z 399.1 → 152.9 for omarigliptin and m/z 237.1 → 194 for the internal standard. The total run time was 4 min. Retention time of omarigliptin and internal standard was 1.25 and 2.12 min, respectively. Relative standard deviation (%) of the intra- and inter-day precision was below 10.0%, and accuracy was between 97.9% and 105.3%. Calibration curve was established over the range 2-5000 ng/mL with good linearity. The lower limit of quantification and limit of detection of omarigliptin were 2 and 0.25 ng/mL, respectively. Mean recoveries were in the range 87.3-95.1% for omarigliptin. No matrix effect was observed in this method. This novel method has been successfully applied to a pharmacokinetic study of omarigliptin in rats. The absolute bioavailability of omarigliptin was identified as high as 87.31%. Copyright © 2017 John Wiley & Sons, Ltd.

  13. Oxygen and hydrogen isotope study of high-pressure metagabbros and metabasalts (Cyclades, Greece): implications for the subduction of oceanic crust

    Science.gov (United States)

    Putlitz, Benita; Matthews, Alan; Valley, John W.

    Oxygen and hydrogen stable isotope ratios of eclogite-facies metagabbros and metabasalts from the Cycladic archipelago (Greece) document the scale and timing of fluid-rock interaction in subducted oceanic crust. Close similarities are found between the isotopic compositions of the high-pressure rocks and their ocean-floor equivalents. High-pressure minerals in metagabbros have low δ18O values: garnet 2.6 to 5.9‰, glaucophane 4.3 to 7.1‰ omphacite 3.5 to 6.2‰. Precursor actinolite that was formed during the hydrothermal alteration of the oceanic crust by seawater analyses at 3.7 to 6.3‰. These compositions are in the range of the δ18O values of unaltered igneous oceanic crust and high-temperature hydrothermally altered oceanic crust. In contrast, high-pressure metabasalts are characterised by 18O-enriched isotopic compositions (garnet 9.2 to 11.5‰, glaucophane 10.6 to 12.5‰, omphacite 10.2 to 12.8‰), which are consistent with the precursor basalts having undergone low-temperature alteration by seawater. D/H ratios of glaucophane and actinolite are also consistent with alteration by seawater. Remarkably constant oxygen isotope fractionations, compatible with isotopic equilibrium, are observed among high-pressure minerals, with Δglaucophane-garnet= 1.37+/-0.24‰ and Δomphacite-garnet=0.72+/-0.24‰. For the estimated metamorphic temperature of 500°C, these fractionations yield coefficients in the equation Δ=A*106/T2 (in Kelvin) of Aglaucophane-garnet= 0.87+/-0.15 and Aomphacite-garnet=0.72+/-0.24. A fractionation of Δglaucophane-actinolite=0.94+/-0.21‰ is measured in metagabbros, and indicates that isotopic equilibrium was established during the metamorphic reaction in which glaucophane formed at the expense of actinolite. The preservation of the isotopic compositions of gabbroic and basaltic oceanic crust and the equilibrium fractionations among minerals shows that high-pressure metamorphism occurred at low water/rock ratios. The isotopic

  14. High pressure synthesis gas conversion. Final report

    Energy Technology Data Exchange (ETDEWEB)

    1993-05-01

    The purpose of this research project is to build and test a high pressure fermentation system for the production of ethanol from synthesis gas. The fermenters, pumps, controls, and analytical system were procured or fabricated and assembled in our laboratory. This system was then used to determine the effects of high pressure on growth and ethanol production by Clostridium ljungdahlii. The limits of cell concentration and mass transport relationships were found in CSTR and immobilized cell reactors (ICR). The minimum retention times and reactor volumes were found for ethanol production in these reactors. A maximum operating pressure of 150 psig has been shown to be possible for C. ljungdahlli with the medium of Phillips et al. This medium was developed for atmospheric pressure operation in the CSTR to yield maximum ethanol concentrations and thus is not best for operation at elevated pressures. It is recommended that a medium development study be performed for C. ljungdahlii at increased pressure. Cell concentration, gas conversion and product concentration profiles were presented for C. ljungdahlii as a function of gas flow rate, the variable which affects bacterium performance the most. This pressure was chosen as a representative pressure over the 0--150 psig operating pressure range for the bacterium. Increased pressure negatively affected ethanol productivity probably due to the fact that medium composition was designed for atmospheric pressure operation. Medium development at increased pressure is necessary for high pressure development of the system.

  15. High Pressure Research on Materials-Experimental Techniques to ...

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 12; Issue 8. High Pressure Research on Materials - Experimental Techniques to Study the Behaviour of Materials Under High Pressure. P Ch Sahu N V Chandra Shekar. General Article Volume 12 Issue 8 August 2007 pp 49-64 ...

  16. 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.

  17. 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

  18. Rayleigh scattering of Moessbauer radiation in hyaluronate oriented fibres

    Energy Technology Data Exchange (ETDEWEB)

    Albanese, G.; Cavatorta, F.; Deriu, A. [Parma Univ. (Italy). Dip. di Fisica]|[Istituto Nazionale di Fisica della Materia, Parma (Italy); Rupprecht, A. [Stockholm Univ. (Sweden). Dep. of Physical Chemistry

    1996-02-01

    The Rayleigh scattering of Moessbauer radiation has been measured on highly oriented fibres of Na-hyaluronate at different hydration levels. The elastic- and-inelastic-scattering intensities, measured as a function of the scattering vector Q, have provided information on the dynamic structuring of the water molecules to the polysaccharidic chains.

  19. Molecular dynamics in cytochrome c oxidase Moessbauer spectra deconvolution

    Energy Technology Data Exchange (ETDEWEB)

    Bossis, Fabrizio [Department of Medical Biochemistry, Medical Biology and Medical Physics (DIBIFIM), University of Bari ' Aldo Moro' , Bari (Italy); Palese, Luigi L., E-mail: palese@biochem.uniba.it [Department of Medical Biochemistry, Medical Biology and Medical Physics (DIBIFIM), University of Bari ' Aldo Moro' , Bari (Italy)

    2011-01-07

    Research highlights: {yields} Cytochrome c oxidase molecular dynamics serve to predict Moessbauer lineshape widths. {yields} Half height widths are used in modeling of Lorentzian doublets. {yields} Such spectral deconvolutions are useful in detecting the enzyme intermediates. -- Abstract: In this work low temperature molecular dynamics simulations of cytochrome c oxidase are used to predict an experimentally observable, namely Moessbauer spectra width. Predicted lineshapes are used to model Lorentzian doublets, with which published cytochrome c oxidase Moessbauer spectra were simulated. Molecular dynamics imposed constraints to spectral lineshapes permit to obtain useful information, like the presence of multiple chemical species in the binuclear center of cytochrome c oxidase. Moreover, a benchmark of quality for molecular dynamic simulations can be obtained. Despite the overwhelming importance of dynamics in electron-proton transfer systems, limited work has been devoted to unravel how much realistic are molecular dynamics simulations results. In this work, molecular dynamics based predictions are found to be in good agreement with published experimental spectra, showing that we can confidently rely on actual simulations. Molecular dynamics based deconvolution of Moessbauer spectra will lead to a renewed interest for application of this approach in bioenergetics.

  20. 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

  1. Variable temperature and high-pressure crystal chemistry of perovskite formamidinium lead iodide: a single crystal X-ray diffraction and computational study.

    Science.gov (United States)

    Sun, Shijing; Deng, Zeyu; Wu, Yue; Wei, Fengxia; Halis Isikgor, Furkan; Brivio, Federico; Gaultois, Michael W; Ouyang, Jianyong; Bristowe, Paul D; Cheetham, Anthony K; Kieslich, Gregor

    2017-07-04

    We investigate the variable temperature (100-450 K) and high-pressure (p = ambient - 0.74 GPa) crystal chemistry of the black perovskite formamidinium lead iodide, [(NH2)2CH]PbI3, using single crystal X-ray diffraction. In both cases we find a phase transition to a tetragonal phase. Our experimental results are combined with first principles calculations, providing information about the electronic properties of [(NH2)2CH]PbI3 as well as the most probable orientation of the [(NH2)2CH](+) cations.

  2. High pressure studies of A{sub 2}Mo{sub 3}O{sub 12} negative thermal expansion materials (A{sub 2}=Al{sub 2}, Fe{sub 2}, FeAl, AlGa)

    Energy Technology Data Exchange (ETDEWEB)

    Young, Lindsay; Gadient, Jennifer; Gao, Xiaodong; Lind, Cora, E-mail: cora.lind@utoledo.edu

    2016-05-15

    High pressure powder X-ray diffraction studies of several A{sub 2}Mo{sub 3}O{sub 12} materials (A{sub 2}=Al{sub 2}, Fe{sub 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{sub 2}Mo{sub 3}O{sub 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{sub 2}Mo{sub 3}O{sub 12} collected in a diamond anvil cell. Both subtle and discontinuous phase transitions are clearly observed. - Highlights: • The high pressure behavior of A{sub 2}Mo{sub 3}O{sub 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{sub 2}Mo{sub 3}O{sub 12} undergoes the same sequence of transitions.

  3. Moessbauer- and EPR-Snapshots of an Enzymatic Reaction: The Cytochrome P450 Reaction Cycle

    Energy Technology Data Exchange (ETDEWEB)

    Schuenemann, V. [University of Luebeck, Institute of Physics (Germany); Jung, C. [Max-Delbrueck-Center for Molecular Medicine (Germany); Lendzian, F. [Technical University, PC 14, Max-Volmer Laboratory for Biophysical Chemistry (Germany); Barra, A.-L. [Grenoble High Magnetic Field Laboratory (France); Teschner, T.; Trautwein, A. X. [University of Luebeck, Institute of Physics (Germany)

    2004-12-15

    In this communication we present a complimentary Moessbauer- and EPR-study of the time dependance of the reaction of substrate free P450cam with peracetic acid within a time region ranging from 8 ms up to 5 min. An Fe(IV) species as well as a tyrosyl radical residing on the amino acid residue Tyr96 have been identified as reaction intermediates. These species possibly are formed by the reduction of compound I by means of transferring an electron from Tyr 96 to the heme moiety.

  4. Speciation of triphenyltin compounds using Moessbauer spectroscopy. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Eng, G.

    1993-11-01

    Organotin compounds have been used widely as the active agent in antifouling marine paints. Organotin compounds, i.e., tributyltin compounds (TBTs) and triphenyltin compounds (TPTs) have been found to be effective in preventing the unwanted attachment and development of aquatic organisms such as barnacles, sea grass and hydroids on ships, hulls and underwater surfaces. However, these organotin compounds have been found to be toxic to non-targeted marine species as well. While speciation of tributyltins in environmental water systems has received much attention in the literature, little information concerning the speciation of triphenyltins is found. Therefore, it would be important to study the fate of TPTs in the aquatic environment, particularly in sediments, both oxic and anoxic, in order to obtain speciation data. Since marine estuaries consist of areas with varying salinity and pH, it is important to investigate the speciation of these compounds under varying salinity conditions. In addition, evaluation of the speciation of these compounds as a function of pH would give an insight into how these compounds might interact with sediments in waters where industrial chemical run-offs can affect the pH of the estuarine environment. Finally, since organotins are present in both salt and fresh water environments, the speciation of the organotins in seawater and distilled water should also be studied. Moessbauer spectroscopy would provide a preferred method to study the speciation of triphenyltins as they leach from marine paints into the aquatic environment. Compounds used in this study are those triphenyltin compounds that are commonly incorporated into marine paints such as triphenyltin fluoride (TPTF), triphenyltin acetate (TPTOAc), triphenyltin chloride (TPTCl) and triphenyltin hydroxide (TPTOH).

  5. High pressure phases in NWA 8711, a shock melted L6 chondrite from Northwest Africa: a combined Raman and EMPA study.

    Science.gov (United States)

    Moggi Cecchi, V.; Pratesi, G.; Caporali, S.; Zoppi, M.

    We report the occurrence of two coexisting high-pressure assemblages in shock-induced black veins of NWA 8711, an L6 chondrite recently found in Northwest Africa. The main phases of the host rock are olivine, enstatite, diopside, plagioclase, iron-nickel alloy and troilite. The presence of typical shock metamorphic features both in olivine and pyroxene, as well as of maskelynite and melt veins point to a shock stage S6. Two coexisting distinct assemblages were observed in the shock-melted areas: (1) a very fine-grained intergrowth of silicate phases sprinkled with fine-grained metal and troilite blebs and (2) a coarser-grained polycrystalline aggregate consisting of ringwoodite crystals. EMPA analyses were performed on both the chondritic matrix and on individual grains of the shock-melted area to characterize their mineralogical composition. EMPA analyses on the coarse-grained area suggested the presence of shock-generated ringwoodite and low-Ca majorite. These data are confirmed by Micro-Raman point analyses. The analyses performed on the fine-grained portion of the veins allowed to determine the presence of a majorite-pyrope solid solution. According to literature data the majorite-pyrope solid solution suggests a crystallization from a shock-melted chondritic matrix under high pressures and temperatures. Ringwoodite and low-Ca majorite were instead formed by solid state transformation of olivine and low-Ca pyroxene originally present in the meteorite.

  6. Experimental study of high pressure phase equilibrium of (CO{sub 2} + NO{sub 2}/N{sub 2}O{sub 4}) mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Camy, S., E-mail: severine.camy@ensiacet.fr [Universite de Toulouse, INPT, UPS, Laboratoire de Genie Chimique, 4, Allee Emile Monso, F-31030 Toulouse (France); CNRS, Laboratoire de Genie Chimique, F-31030 Toulouse (France); Letourneau, J.-J. [Universite de Toulouse, Mines Albi, CNRS, Centre RAPSODEE, F-81013 Albi cedex 09 (France); Condoret, J.-S. [Universite de Toulouse, INPT, UPS, Laboratoire de Genie Chimique, 4, Allee Emile Monso, F-31030 Toulouse (France); CNRS, Laboratoire de Genie Chimique, F-31030 Toulouse (France)

    2011-12-15

    Highlights: > Experimental bubble pressure and liquid density of (CO{sub 2} + NO{sub 2}/N{sub 2}O{sub 4}) mixtures at T ranging from (298 to 328.45) K are reported. > A high pressure variable volume equilibrium cell with the static method have been used. > (Liquid + vapour) equilibrium was found to be well predicted using Peng-Robinson equation of state. > Calculation of liquid density values was unsatisfactory with this approach. - Abstract: Experimental bubble pressure, as well as liquid density of (CO{sub 2} + NO{sub 2}/N{sub 2}O{sub 4}) mixtures are reported at temperatures ranging from (298 to 328.45) K. Experiments were carried out using a SITEC high-pressure variable volume cell. Transition pressures were obtained by the synthetic method and liquid density was deduced from measurement of the cell volume. Correlation of experimental results was carried out without considering chemical equilibrium of NO{sub 2}/N{sub 2}O{sub 4} system. (Liquid + vapour) equilibrium was found to be accurately modelled using the Peng-Robinson equation of state with classical quadratic mixing rules and with a binary interaction coefficient k{sub ij} equal to zero. Nevertheless, modelling of liquid density values was unsatisfactory with this approach.

  7. Microbial Communities in Ultra-High Pressure Rocks and Fluids From Chinese Continental Scientific Drilling (CCSD): A Unique Opportunity to Study Microbial Adaptation and Survival

    Science.gov (United States)

    Dong, H.; Zhang, G.; Xu, Z.

    2004-12-01

    A major obstacle to understanding the subsurface biosphere has been our limited ability to access the deep subsurface, to acquire uncontaminated samples and to place our knowledge of isolated microorganisms into environmental context. We studied deep subsurface microbiology by taking an advantage of the Chinese continental scientific drilling (CCSD) project currently underway in China. The project is to drill a 5-km deep borehole in the Dabie-Sulu ultra high-pressure (UHP) metamorphic belt in China that is located at the convergent plate boundary between Sino-Korean and Yangtze Plate. The collision began at ~240 Ma ago followed by exhumation ~220 Ma ago. The products of such a plate convergence are the formation of unique UHP rocks and minerals. These rocks are typically separated by a series of structurally weak shear zones and faults. The macroscopic shear zones/faults are potential storage space for large pockets of fluids/gases and they may serve as a potential microbial habitat. Fluids/gas bubbles also exist inside minerals, and they are called fluid/gas inclusions. The inclusions are microscopic and they serve as another potential habitat for microbes. The 5-km contiguous drilling intercepts both habitats and spans a range of environmental gradients. Our cultivation and SSU rRNA gene analyses appear to indicate that unique microbial communities may exist in both habitats. A variety of methods were used to assess possible contamination, and contamination was minimal. Acridine orange direct count method was employed to determine the total number of cells in the rocks, and the results indicated that the biomass ranged from 5.2 x 103 to 2.4 x 104 cells/g (dry weight). Total counts indicated a much higher biomass in the drilling fluids, ranging from 3.5 x 108 to 4.2 x 109 cells/g (wet weight). The PLFA profiles for one rock and multiple drilling fluids indicated the presence of sulfate and metal reducers. Cultivation attempts have identified the presence of

  8. Precise determination of Moessbauer lineshape parameters including interference

    Energy Technology Data Exchange (ETDEWEB)

    Mullen, J.G.; Djedid, A.; Bullard, B.; Schupp, G.; Cowan, D.; Cao, Y.; Crow, M.L.; Yelon, W.

    1987-01-01

    Using 100 Ci /sup 183/Ta and 5 Ci /sup 182/Ta sources, with LiF and NaCl crystal monochromating filters, we have measured the lineshape parameters for the 46.5 keV and 99.1 keV Moessbauer effect (ME) transitions of /sup 183/W and the 100.1 keV transition of /sup 182/W. Using an analytic representation of the convolution integral and utilizing asymptotic analyses of the lineshape, we find, for both transmission and microfoil internal conversion (MICE) experiments, accurate values of all ME parameters including width, position, cross section, and interference. This new approach allows deconvolution of source and absorber spectra and gives a simple analytic expression for both as well as their Fourier transforms. The line widths for the 46.5, 99.1, and 100.1 keV transitions are 3.10(10), 0.369(18), and 0.195(12) cm/s, respectively. The interference parameters are -0.00257(9), -0.0093(12), and -0.0107(12) in the same respective order. The agreement between transmission and MICE measurements for the above lineshape parameters is within the experimental errors. We believe these measurements are the first having sufficient precision to allow a quantitative comparison with dispersion theory and they indicate interference parameters 10 to 20% smaller than predicted. Our measured line widths are less than earlier reported values. This is because our analysis of the true lineshape and the study of line asymptotics permits a quantitative determination of the isomer lifetimes rather than the usual lower bound found in earlier ME experiments. 37 refs., 4 figs., 2 tabs.

  9. Unfolding the role of iron in Li-ion conversion electrode materials by {sup 57}Fe Moessbauer spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Tirado, Jose L., E-mail: iq1ticoj@uco.es; Lavela, Pedro; Perez Vicente, Carlos; Leon, Bernardo; Vidal-Abarca, Candela [Universidad de Cordoba, Laboratorio de Quimica Inorganica (Spain)

    2012-03-15

    {sup 57}Fe Moessbauer spectroscopy is particularly useful in the study of oxide and oxalate conversion anode materials for Li-ion batteries. After reduction in lithium test cells, all these materials showed Moessbauer spectra ascribable to iron atoms in two different environments with superparamagnetic relaxation. The spectra recorded at 12 K revealed the ferromagnetic character in agreement with particle sizes of ca. 5 nm. The two types of iron can be ascribed then to surface and core atoms. Core iron atoms play an important role to retain high faradic capacity values for a large number of cycles. These atoms are preserved from irreversible reactions with the electrolyte and hence they promote a high reversibility and rate capability.

  10. 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.

  11. Experimental and Theoretical Studies on the Effect of Die Temperature on the Quality of the Products in High-Pressure Die-Casting Process

    Directory of Open Access Journals (Sweden)

    Mohammad Sadeghi

    2012-01-01

    Full Text Available Die temperature in high-pressure die casting of A380 alloy is optimized by experimental observation and numerical simulation. Ladder frame (one part of the new motor EF7 with a very complicated geometry was chosen as an experimental sample. Die temperature and melt temperature were examined to produce a sound part. Die temperatures at the initial step and the final filling positions were measured and the difference between these values was calculated. ProCAST software was used to simulate the fluid flow and solidification step of the part, and the results were verified by experimental measurements. It is shown that the proper die temperature for this alloy is above 200°C.

  12. High-pressure X-ray study of LiCrSi2O6 clinopyroxene and the general compressibility trends of Li-clinopyroxenes

    DEFF Research Database (Denmark)

    Periotto, Benedetta; Angel, Ross J.; Nestola, Fabrizio

    2013-01-01

    High-pressure single-crystal X-ray diffraction measurements of synthetic LiCrSi2O6 clinopyroxene (with space group P21/c) were performed in a diamond-anvil cell up to 7.970 GPa. No phase transition has been observed within the pressure range investigated, but the elastic behavior at lower pressures...... coordination number from 5 to 6 at 6–7 GPa by means of the approach of the bridging O atom, related to the increased kinking of the B tetrahedral chain. Furthermore, at higher pressures, the structural evolution of LiCrSi2O6 provides evidence in the variation of kinking angles and bond lengths of a potential...

  13. Experimental and numerical study of heterogeneous pressure-temperature-induced lethal and sublethal injury of Lactococcus lactis in a medium scale high-pressure autoclave.

    Science.gov (United States)

    Kilimann, K V; Kitsubun, P; Delgado, A; Gänzle, M G; Chapleau, N; Le Bail, A; Hartmann, C

    2006-07-05

    The present contribution is dedicated to experimental and theoretical assessment of microbiological process heterogeneities of the high-pressure (HP) inactivation of Lactococcus lactis ssp. cremoris MG 1363. The inactivation kinetics are determined in dependence of pressure, process time, temperature and absence or presence of co-solutes in the buffer system namely 4 M sodium chloride and 1.5 M sucrose. The kinetic analysis is carried out in a 0.1-L autoclave in order to minimise thermal and convective effects. Upon these data, a deterministic inactivation model is formulated with the logistic equation. Its independent variables represent the counts of viable cells (viable but injured) and of the stress-resistant cells (viable and not injured). This model is then coupled to a thermo-fluiddynamical simulation method, high-pressure computer fluid dynamics technique (HP-CFD), which yields spatiotemporal temperature and flow fields occurring during the HP application inside any considered autoclave. Besides the thermo-fluiddynamic quantities, the coupled model predicts also the spatiotemporal distribution of both viable (VC) and stress-resistant cell counts (SRC). In order to assess the process non-uniformity of the microbial inactivation in a 3.3-L autoclave experimentally, microbial samples are placed at two distinct locations and are exposed to various process conditions. It can be shown with both, experimental and theoretical models that thermal heterogeneities induce process non-uniformities of more than one decimal power in the counts of the viable cells at the end of the treatment. (c) 2006 Wiley Periodicals, Inc.

  14. Stepwise exhumation of the Triassic Lanling high-pressure metamorphic belt in Central Qiangtang, Tibet: Insights from a coupled study of metamorphism, deformation, and geochronology

    Science.gov (United States)

    Liang, Xiao; Wang, Genhou; Yang, Bo; Ran, Hao; Zheng, Yilong; Du, Jinxue; Li, Lingui

    2017-04-01

    The E-W trending Central Qiangtang metamorphic belt (CQMB) is correlated to the Triassic orogeny of the Paleo-Tethys Ocean prior to Cenozoic growth of the Tibetan Plateau. The well-exposed Lanling high-pressure, low-temperature (HP-LT) metamorphic complex was chosen to decipher the process by which it was exhumed, which thereby provides insights into the origin of the CQMB and Qiangtang terrane. After a detailed petrological and structural mapping, three distinct N-S-trending metamorphic domains were distinguished. Microscopic observations show that core domain garnet (Grt)-bearing blueschist was exhumed in a heating plus depressurization trajectory after peak eclogitic conditions, which is more evident in syntectonic vein form porphyroblastic garnets with zoning typical of a prograde path. Grt-free blueschist of the mantle domain probably underwent an exhumation path of temperature increasing and dehydration, as evidenced by pervasive epidote veins. The compilation of radiometric results of high-pressure mineral separates in Lanling and Central Qiantang, and reassessments on the published phengite data sets of Lanling using Arrhenius plots allow a two-step exhumation model to be formulated. It is suggested that core domain eclogitic rocks were brought onto mantle domain blueschist facies level starting at 244-230 Ma, with exhumation continuing to 227-223.4 Ma, and subsequently were exhumed together starting at 223-220 Ma, reaching lower greenschist facies conditions generally after 222-217 Ma. These new observations indicate that the CQMB formed as a Triassic autochthonous accretionary complex resulting from the northward subdcution of the Paleo-Tethys Ocean and that HP-LT rocks therein were very probably exhumed in an extensional regime.

  15. Electronic and magnetic properties study of neptunium compounds: NpX{sub 3} and Np{sub 2}T{sub 2}X by Moessbauer effect, neutrons diffraction and Squid magnetometry; Etude des proprietes magnetiques et electroniques de composes de neptunium NpX{sub 3} et Np{sub 2}T{sub 2}X par spectrometrie mossbauer, diffraction de neutrons et magnetometrie squid

    Energy Technology Data Exchange (ETDEWEB)

    Colineau, E.

    1996-07-11

    This work is a contribution to the study of magnetic and electronic properties of the intermetallic compounds: NpX{sub 3} (X= Al, Ga, In, Sn) and Np{sub 2}T{sub 2}X (T= Co, Ni, Ru, Rh, Pd, Pt; X= In, Sn). These properties have been determined by Moessbauer effect, neutron diffraction and Squid magnetometry. The obtained results for NpX{sub 3} show particularly that NpAl{sub 3} orders in a type II (k= 1/2 1/2 1/2) antiferromagnetic structure at T{sub N} {approx_equal} 37 K. The antiferromagnetic phase NpGa{sub 3} orders in a type II too and the magnetic moments carried by neptunium in the ferromagnetic phase are oriented along the (111) axes. The two NpIN{sub 3} magnetic phases observed by Moessbauer effect (4.2 K-10 K and 10 K- 14 K) are identified by neutron diffraction as ferromagnetic and antiferromagnetic (k= 3/8 3/8 3/8). In this last phase the moments are oriented along the (111) axes. The magnetization measures on monocrystals show a weak anisotropy with (111) at all the temperatures and reveal the presence of a third magnetic phase between 8.2 and 10 K. At last, the fundamental state of the compounds NpAl{sub 3}, NpGa{sub 3} and NpIn{sub 3} is attributed to the {Gamma}{sub 5} crystal field and the strong reduction of the ordered moment in NpSn{sub 3} to a Kondo effect. Concerning the Np{sub 2}T{sub 2}X compounds, the Moessbauer effect measures have revealed that eight of these compounds order and three do not order. (O.M.). 239 refs.

  16. High pressure photophysics of organic molecules

    Energy Technology Data Exchange (ETDEWEB)

    Brey, L. A.

    1979-01-01

    High pressure spectroscopic studies on several classes of organic compounds were made both in fluid solution (to 10 kbar) and in polymeric media (to 40 kbar). The first three studies were conducted in fluid solution and concern the effect of solvent viscosity on the nonradiative deactivation rates from electronically excited states. Pressure was utilized to attain high viscosities in organic solvents at room temperature. The primary experimental technique used was fluorescence emission spectroscopy. In the fourth and last study observations were made both in fluid solution and in plastic films. The focus of this study was the effect of pressure on the solvent-chromophore dispersion interaction in several polyenes and the concomitant changes in both the radiative and non-radiative rates from the excited states. Extensive use was made of fluorescence lifetime measurements and excitation spectra. 105 references.

  17. World of high pressure. Koatsuryoku no sekai

    Energy Technology Data Exchange (ETDEWEB)

    Moritoki, M.; Kanda, T. (Kobe Steel, Ltd., Kobe (Japan))

    1993-05-01

    The present article describes development and current status of high pressure technology. It introduces applications of high pressure technology to chemical reactions and processings, utilizations of phase changes and supercritical fluids, and applications of high pressure to food processings. Contributions of high pressure technology to synthetic chemistry are mentioned as for industrialization of syntheses of ammonia, urea and methanol, and invention of synthesis of polyethylene. Processing technologies utilizing high pressure are also mentioned as for cold isostatic pressing, hot isostatic pressing, hydrostatic extrusion technique, water jet working technique, and explosive forming technique. Introduced are application of phase changes under high pressure, such as high pressure synthesis of diamond and pressurized crystallization technology, and supercritical extraction technology using water and carbon dioxide. Pressurized food processings of mandarin orange, jam, and grapefruit are described. Furthermore, current status of fundamental technologies of high pressure installations is provided as for pressure vessel technology, pressure generation and control technology, and pressure sealing technology. 12 refs., 15 figs., 1 tab.

  18. 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

  19. Coal swelling and thermoplasticity under high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Ndaji, F.E.; Butterfield, I.M.; Thomas, K.M. (Newcastle upon Tyne University, Newcastle upon Tyne (United Kingdom). Northern Carbon Research Labs., Dept. of Chemistry)

    1992-01-01

    The literature on the following topics is reviewed: swelling and agglomeration of coal; measurements of swelling index and dilatometric and plastometric properties at high pressures; and the effects of oxidation, tar addition and minerals on high-pressure thermoplastic properties. 34 refs., 6 figs.

  20. Depth Gauge for Liquids Under High Pressure

    Science.gov (United States)

    Zuckerwar, A. J.; Mazel, D. S.

    1987-01-01

    Piezoelectric element mounted in hole drilled in high-pressure plug. Transducer used to measure depth of liquid when pressure in vessel high. New configuration transmits ultrasonic vibration directly into liquid, enhancing signal strength, accuracy, and range, yet piezoelectric element protected from high-pressure liquid.

  1. Mineralogy of the clay fraction of soils from the moray cusco archaeological site: a study by energy dispersive X-ray fluorescence, X-ray diffractometry and Moessbauer spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Ceron Loayza, Maria L., E-mail: malucelo@hotmail.com; Bravo Cabrejos, Jorge A.; Mejia Santillan, Mirian E. [Universidad Nacional Mayor de San Marcos, Laboratorio de Analisis de Suelos, Laboratorio de Espectroscopia Moessbauer, Facultad de Ciencias Fisicas (Peru)

    2011-11-15

    The purpose of this work is to report the advances in the elemental and structural characterization of the clay fraction of soils from the terraces of the Moray Archaeological site, located 38 km north of the city of Cusco, Cusco Region. One sample was collected from each of the twelve terraces of this site and its clay fraction was separated by sedimentation. Previously the pH of the raw samples was measured resulting that all of the samples were from alkaline to strongly alkaline. Energy dispersive X-ray fluorescence (EDXRF) was used for the elemental characterization, and X-ray diffractometry (XRD) and transmission Moessbauer spectroscopy (TMS), using the {gamma} 14.4 keV nuclear resonance transition in {sup 57}Fe, were used for the structural characterization of the clays and clay minerals present in each sample. The EDXRF analyses of all the samples show the presence of relatively high concentrations of sulfur in some of the samples and relatively high concentrations of calcium in all of the samples, which may be related to the high alkalinity of the samples. By XRD it is observed the presence of quartz, calcite, gypsum, cronstedtite, 2:1 phyllosilicates, and iron oxides. The mineralogical analysis of Fe by TMS shows that it is present in the form of hematite and occupying Fe{sup 2 + } and Fe{sup 3 + } sites in phyllosilicates, cronstedtite, and other minerals not yet identified.

  2. Moessbauer spectroscopy study of the synthesis of SnFe{sub 2}O{sub 4} by high energy ball milling (HEBM) of SnO and {alpha}-Fe{sub 2}O{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Uwakweh, Oswald N C; Perez Moyet, Richard [Department of Engineering Science and Material, University of Puerto Rico-Mayagueez (Puerto Rico); Mas, Rita; Morales, Carolyn [Department of Industrial Engineering, University of Puerto Rico-Mayagueez (Puerto Rico); Vargas, Pedro; Silva, Josue; Rossa, Angel [Department of Mechanical Engineering, University of Puerto Rico-Mayagueez (Puerto Rico); Lopez, Neshma, E-mail: uwakweh@ece.uprm.ed [Department of Chemical Engineering, University of Puerto Rico-Mayagueez (Puerto Rico)

    2010-03-01

    The formation of single phase nanoparticles of spinel structured ferrite, SnFe{sub 2}O{sub 4}, by mechanochemical syntheses using HEBM of stoichiometric amounts of solid SnO and {alpha}-Fe{sub 2}O{sub 3} with acetone as surfactant was achieved progressively as function of ball milling time. Single phase SnFe{sub 2}O{sub 4} formation commenced from five hours of continuous ball milling, and reached completion after 22 hours, thereby yielding a material with a lattice parameter of 8.543 A, and particle size of 10.91 nm. The coercivity was 4.44 mT, magnetic saturation value of 17.75 Am{sup 2}/kg, and remanent magnetizations of 1.50 Am{sup 2}/kg, correspondingly. The nanosized particles exhibited superparamagnetic behavior phenomenon based on Moessbauer spectroscopy measurements. The kinetic analyses based on the modified Kissinger method yielded four characteristic stages during the thermal evolution of the 22 hours milled state with activation energies of 0.23 kJ/mol, 2.52 kJ/mol, 0.024 kJ/mol, and 1.57 kJ/mol respectively.

  3. High-pressure and high-temperature synthesis and study of the thermal properties of ZrW2O8/Cu composites

    Science.gov (United States)

    Li, Xin; Fang, Leiming; Chen, Bo; He, Duanwei

    2016-04-01

    ZrW2O8/Cu composites with high thermal conductivity and low coefficients of thermal expansion (CTE) are desired to be utilized in thermal management applications. The ZrW2O8/Cu composites were synthesized under high-pressure and high-temperature (HPHT) conditions and annealing method. We found that the thermal conductivity and CTE of the ZrW2O8/Cu composites could be controlled through suitable HPHT sintering. In addition, cyclic heating-cooling is crucial to recrystallize the composite and reduce the thermal mismatch stress to produce a composite with high thermal conductivity and a low CTE. Under HPHT (3 GPa, 500 °C) conditions and annealing at 700 °C, the thermal conductivity and CTE of the ZrW2O8/Cu composites have been determined directly to 165 W/(m k) and 6.8×10-6 K-1. Our results help to understand the structural origins of the high thermal conductivity and low CTE, and aid in designing ZrW2O8/Cu composites with improved performance.

  4. Soret Effect Study on High-Pressure CO2-Water Solutions Using UV-Raman Spectroscopy and a Concentric-Tube Optical Cell

    Energy Technology Data Exchange (ETDEWEB)

    Windisch, Charles F.; McGrail, B. Peter; Maupin, Gary D.

    2012-01-01

    Spatially resolved deep-UV Raman spectroscopy was applied to solutions of CO2 and H2O (or D2O), which were subject to a temperature gradient in a thermally regulated high-pressure concentric-tube Raman cell in an attempt to measure a Soret effect in the vicinity of the critical point of CO2. Although Raman spectra of solutions of CO2 dissolved in D2O at 10 MPa and temperatures near the critical point of CO2 had adequate signal-to-noise and spatial resolution to observe a Soret effect with a Soret coefficient with magnitude of |ST| > 0.03, no evidence for an effect of this size was obtained for applied temperature gradients up to 19oC. The presence of 1 M NaCl did not make a difference. In contrast, the concentration of CO2 dissolved in H2O was shown to vary significantly across the temperature gradient when excess CO2 was present, but the results could be explained simply by the variation in CO2 solubility over the temperature range and not to kinetic factors. For mixtures of D2O dissolved in scCO2 at 10 MPa and temperatures close to the critical point of CO2, the Raman peaks for H2O were too weak to measure with confidence even at the limit of D2O solubility.

  5. High-pressure crystallography of periodic and aperiodic crystals

    Directory of Open Access Journals (Sweden)

    Clivia Hejny

    2015-03-01

    Full Text Available More than five decades have passed since the first single-crystal X-ray diffraction experiments at high pressure were performed. These studies were applied historically to geochemical processes occurring in the Earth and other planets, but high-pressure crystallography has spread across different fields of science including chemistry, physics, biology, materials science and pharmacy. With each passing year, high-pressure studies have become more precise and comprehensive because of the development of instrumentation and software, and the systems investigated have also become more complicated. Starting with crystals of simple minerals and inorganic compounds, the interests of researchers have shifted to complicated metal–organic frameworks, aperiodic crystals and quasicrystals, molecular crystals, and even proteins and viruses. Inspired by contributions to the microsymposium `High-Pressure Crystallography of Periodic and Aperiodic Crystals' presented at the 23rd IUCr Congress and General Assembly, the authors have tried to summarize certain recent results of single-crystal studies of molecular and aperiodic structures under high pressure. While the selected contributions do not cover the whole spectrum of high-pressure research, they demonstrate the broad diversity of novel and fascinating results and may awaken the reader's interest in this topic.

  6. Phase Evolution of Hydrous Enstatite at High Pressures and Temperatures

    Science.gov (United States)

    Xu, J.; Zhang, D.; Dera, P.; Zhang, J.; Fan, D.

    2016-12-01

    Pyroxenes, including Mg-rich orthopyroxene and Ca-rich clinopyroxene, are among the most important minerals in the Earth's upper mantle (account for 20% by volume). Pyroxenes are major phases of harzburgite and lherzolite, which are important components of subducting slabs, so the high pressure behavior of pyroxenes should influence the physical properties of the subducted slabs. Therefore, understanding the phase evolution and thermal equations of state and of pyroxenes at elevated pressure and temperature is crucial to model theupper mantle and subduction zones. On the other hand, water is expected to be incorporated into pyroxene minerals in the upper mantle environments, yet the effect of water on the high pressure behavior of pyroxene has not been fully explored. In this study, we conducted high-pressure single-crystal X-ray diffraction study on hydrous enstatite sample (Mg2Si2O6) at ambient and high temperatures. High-pressure single-crystal diffraction experiments at ambient temperature were performed to 30 GPa at the experimental station 13BMC of the Advanced Photon Source. Two phase transformations were detected within the pressure range. High-pressure and high-temperature single crystal diffraction experiments were conducted to 27 GPa and 700 K also at 13BMC. From the experimental data, we derived the thermoelastic parameters of enstatite and performed structural refinements of enstatite at high pressures and temperatures, which is of implication for understanding of geophysics and geochemistry of subducting slabs.

  7. Blue emitting organic semiconductors under high pressure

    DEFF Research Database (Denmark)

    Knaapila, Matti; Guha, Suchismita

    2016-01-01

    highlighted by high pressure optical spectroscopy whilst analogous x-ray diffraction experiments remain less frequent. By focusing on a class of blue-emitting π-conjugated polymers, polyfluorenes, this article reviews optical spectroscopic studies under hydrostatic pressure, addressing the impact of molecular......This review describes essential optical and emerging structural experiments that use high GPa range hydrostatic pressure to probe physical phenomena in blue-emitting organic semiconductors including π-conjugated polyfluorene and related compounds. The work emphasizes molecular structure...... and intermolecular self-organization that typically determine transport and optical emission in π-conjugated oligomers and polymers. In this context, hydrostatic pressure through diamond anvil cells has proven to be an elegant tool to control structure and interactions without chemical intervention. This has been...

  8. High pressure chemistry of substituted acetylenes

    Energy Technology Data Exchange (ETDEWEB)

    Chellappa, Raja [Los Alamos National Laboratory; Dattelbaum, Dana [Los Alamos National Laboratory; Sheffield, Stephen [Los Alamos National Laboratory; Robbins, David [Los Alamos National Laboratory

    2011-01-25

    High pressure in situ synchrotron x-ray diffraction experiments were performed on substituted polyacetylenes: tert-butyl acetylene [TBA: (CH{sub 3}){sub 3}-C{triple_bond}CH] and ethynyl trimethylsilane [ETMS: (CH{sub 3}){sub 3}-Si{triple_bond}CH] to investigate pressure-induced chemical reactions. The starting samples were the low temperature crystalline phases which persisted metastably at room temperature and polymerized beyond 11 GPa and 26 GPa for TBA and ETMS respectively. These reaction onset pressures are considerably higher than what we observed in the shockwave studies (6.1 GPa for TBA and 6.6 GPa for ETMS). Interestingly, in the case of ETMS, it was observed with fluid ETMS as starting sample, reacts to form a semi-crystalline polymer (crystalline domains corresponding to the low-T phase) at pressures less than {approx}2 GPa. Further characterization using vibrational spectroscopy is in progress.

  9. High pressure Raman scattering of silicon nanowires

    Energy Technology Data Exchange (ETDEWEB)

    Khachadorian, Sevak; Scheel, Harald; Thomsen, Christian [Institut fuer Festkoerperphysik, Technische Universitaet Berlin, 10623 Berlin (Germany); Papagelis, Konstantinos [Materials Science Department, University of Patras, 26504 Patras (Greece); Colli, Alan [Nokia Research Centre, 21 J J Thomson Avenue, Cambridge CB3 0FA (United Kingdom); Ferrari, Andrea C, E-mail: khachadorian@physik.tu-berlin.de [Department of Engineering, University of Cambridge, Cambridge CB3 0FA (United Kingdom)

    2011-05-13

    We study the high pressure response, up to 8 GPa, of silicon nanowires (SiNWs) with {approx} 15 nm diameter, by Raman spectroscopy. The first order Raman peak shows a superlinear trend, more pronounced compared to bulk Si. Combining transmission electron microscopy and Raman measurements we estimate the SiNWs' bulk modulus and the Grueneisen parameters. We detect an increase of Raman linewidth at {approx} 4 GPa, and assign it to pressure induced activation of a decay process into LO and TA phonons. This pressure is smaller compared to the {approx} 7 GPa reported for bulk Si. We do not observe evidence of phase transitions, such as discontinuities or change in the pressure slopes, in the investigated pressure range.

  10. Urea and deuterium mixtures at high pressures

    Energy Technology Data Exchange (ETDEWEB)

    Donnelly, M., E-mail: m.donnelly-2@sms.ed.ac.uk; Husband, R. J.; Frantzana, A. D.; Loveday, J. S. [Centre for Science at Extreme Conditions and School of Physics and Astronomy, The University of Edinburgh, Erskine Williamson Building, Peter Guthrie Tait Road, The King’s Buildings, Edinburgh EH9 3FD (United Kingdom); Bull, C. L. [ISIS, Rutherford Appleton Laboratory, Oxford Harwell, Didcot OX11 0QX (United Kingdom); Klotz, S. [IMPMC, CNRS UMR 7590, Université P and M Curie, 4 Place Jussieu, 75252 Paris (France)

    2015-03-28

    Urea, like many network forming compounds, has long been known to form inclusion (guest-host) compounds. Unlike other network formers like water, urea is not known to form such inclusion compounds with simple molecules like hydrogen. Such compounds if they existed would be of interest both for the fundamental insight they provide into molecular bonding and as potential gas storage systems. Urea has been proposed as a potential hydrogen storage material [T. A. Strobel et al., Chem. Phys. Lett. 478, 97 (2009)]. Here, we report the results of high-pressure neutron diffraction studies of urea and D{sub 2} mixtures that indicate no inclusion compound forms up to 3.7 GPa.

  11. High-pressure and theoretical studies reveal significant differences in the electronic structure and bonding of magnesium, zinc, and nickel ions in metalloporphyrinoids.

    Science.gov (United States)

    Kania, Agnieszka; Pilch, Mariusz; Rutkowska-Zbik, Dorota; Susz, Anna; Heriyanto; Stochel, Grażyna; Fiedor, Leszek

    2014-08-18

    High pressure in combination with optical spectroscopy was used to gain insights into the interactions between Mg(2+), Zn(2+), and Ni(2+) ions and macrocyclic ligands of porphyrinoid type. In parallel, the central metal ion-macrocycle bonding was investigated using theoretical approaches. The symmetry properties of the orbitals participating in this bonding were analyzed, and pigment geometries and pressure/ligation effects were computed within DFT. Bacteriopheophytin a was applied as both a model chelator and a highly specific spectroscopic probe. The analysis of solvent and pressure effects on the spectral properties of the model Mg(2+), Zn(2+), and Ni(2+) complexes with bacteriopheophytin a shows that various chemical bonds are formed in the central pocket, depending on the valence configuration of the central metal ion. In addition, the character of this bonding depends on symmetry of the macrocyclic system. Since in most cases it is not coordinative bonding, these results challenge the conventional view of metal ion bonding in such complexes. In (labile) complexes with the main group metals, the metal ion-macrocycle interaction is mostly electrostatic. Significantly, water molecules are not preferred as a second axial ligand in such complexes, mainly due to the entropic constraints. The metal ions with a closed d shell may form (stable) complexes with the macrocycle via classical coordination bonds, engaging their p and s orbitals. Transition metals, due to the unfilled d shell, do form much more stable complexes, because of strong bonding via both coordination and covalent interactions. These conclusions are confirmed by DFT computations and theoretical considerations, which altogether provide the basis to propose a consistent and general mechanism of how the central metal ion and its interactions with the core nitrogens govern the physicochemical properties of metalloporphyrinoids.

  12. Application of High Pressure in Food Processing

    Directory of Open Access Journals (Sweden)

    Herceg, Z.

    2011-01-01

    Full Text Available In high pressure processing, foods are subjected to pressures generally in the range of 100 – 800 (1200 MPa. The processing temperature during pressure treatments can be adjusted from below 0 °C to above 100 °C, with exposure times ranging from a few seconds to 20 minutes and even longer, depending on process conditions. The effects of high pressure are system volume reduction and acceleration of reactions that lead to volume reduction. The main areas of interest regarding high-pressure processing of food include: inactivation of microorganisms, modification of biopolymers, quality retention (especially in terms of flavour and colour, and changes in product functionality. Food components responsible for the nutritive value and sensory properties of food remain unaffected by high pressure. Based on the theoretical background of high-pressure processing and taking into account its advantages and limitations, this paper aims to show its possible application in food processing. The paper gives an outline of the special equipment used in highpressure processing. Typical high pressure equipment in which pressure can be generated either by direct or indirect compression are presented together with three major types of high pressure food processing: the conventional (batch system, semicontinuous and continuous systems. In addition to looking at this technology’s ability to inactivate microorganisms at room temperature, which makes it the ultimate alternative to thermal treatments, this paper also explores its application in dairy, meat, fruit and vegetable processing. Here presented are the effects of high-pressure treatment in milk and dairy processing on the inactivation of microorganisms and the modification of milk protein, which has a major impact on rennet coagulation and curd formation properties of treated milk. The possible application of this treatment in controlling cheese manufacture, ripening and safety is discussed. The opportunities

  13. High-pressure minerals in shocked meteorites

    Science.gov (United States)

    Tomioka, Naotaka; Miyahara, Masaaki

    2017-09-01

    Heavily shocked meteorites contain various types of high-pressure polymorphs of major minerals (olivine, pyroxene, feldspar, and quartz) and accessory minerals (chromite and Ca phosphate). These high-pressure minerals are micron to submicron sized and occur within and in the vicinity of shock-induced melt veins and melt pockets in chondrites and lunar, howardite-eucrite-diogenite (HED), and Martian meteorites. Their occurrence suggests two types of formation mechanisms (1) solid-state high-pressure transformation of the host-rock minerals into monomineralic polycrystalline aggregates, and (2) crystallization of chondritic or monomineralic melts under high pressure. Based on experimentally determined phase relations, their formation pressures are limited to the pressure range up to 25 GPa. Textural, crystallographic, and chemical characteristics of high-pressure minerals provide clues about the impact events of meteorite parent bodies, including their size and mutual collision velocities and about the mineralogy of deep planetary interiors. The aim of this article is to review and summarize the findings on natural high-pressure minerals in shocked meteorites that have been reported over the past 50 years.

  14. In situ study of mass transfer in aqueous solutions under high pressures via Raman spectroscopy: a new method for the determination of diffusion coefficients of methane in water near hydrate formation conditions.

    Science.gov (United States)

    Lu, W J; Chou, I M; Burruss, R C; Yang, M Z

    2006-02-01

    A new method was developed for in situ study of the diffusive transfer of methane in aqueous solution under high pressures near hydrate formation conditions within an optical capillary cell. Time-dependent Raman spectra of the solution at several different spots along the one-dimensional diffusion path were collected and thus the varying composition profile of the solution was monitored. Diffusion coefficients were estimated by the least squares method based on the variations in methane concentration data in space and time in the cell. The measured diffusion coefficients of methane in water at the liquid (L)-vapor (V) stable region and L-V metastable region are close to previously reported values determined at lower pressure and similar temperature. This in situ monitoring method was demonstrated to be suitable for the study of mass transfer in aqueous solution under high pressure and at various temperature conditions and will be applied to the study of nucleation and dissolution kinetics of methane hydrate in a hydrate-water system where the interaction of methane and water would be more complicated than that presented here for the L-V metastable condition.

  15. High-pressure synthesis of tantalum dihydride

    Science.gov (United States)

    Kuzovnikov, Mikhail A.; Tkacz, Marek; Meng, Haijing; Kapustin, Dmitry I.; Kulakov, Valery I.

    2017-10-01

    The reaction of tantalum with molecular hydrogen was studied by x-ray diffraction in a diamond-anvil cell at room temperature and pressures from 1 to 41 GPa. At pressures up to 5.5 GPa, a substoichiometric tantalum monohydride with a distorted bcc structure was shown to be stable. Its hydrogen content gradually increased with the pressure increase, reaching H /Ta =0.92 (5 ) at 5 GPa. At higher pressures, a new dihydride phase of tantalum was formed. This phase had an hcp metal lattice, and its hydrogen content was virtually independent of pressure. When the pressure was decreased, the tantalum dihydride thus obtained transformed back to the monohydride at P =2.2 GPa . Single-phase samples of tantalum dihydride also were synthesized at a hydrogen pressure of 9 GPa in a toroid-type high-pressure apparatus, quenched to the liquid-N2 temperature, and studied at ambient pressure. X-ray diffraction showed them to have an hcp metal lattice with a =3.224 (3 ) and c =5.140 (5 )Å at T =85 K . The hydrogen content determined by thermal desorption was H /Ta =2.2 (1 ) .

  16. Accessing Mefenamic Acid Form II through High-Pressure Recrystallisation

    Directory of Open Access Journals (Sweden)

    Nasir Abbas

    2017-05-01

    Full Text Available High-pressure crystallisation has been successfully used as an alternative technique to prepare Form II of a non-steroidal anti-inflammatory drug, mefenamic acid (MA. A single crystal of Form II, denoted as high-pressure Form II, was grown at 0.3 GPa from an ethanolic solution by using a diamond anvil cell. A comparison of the crystal structures shows that the efficient packing of molecules in Form II was enabled by the structural flexibility of MA molecules. Compression studies performed on a single crystal of Form I resulted in a 14% decrease of unit cell volume up to 2.5 GPa. No phase transition was observed up to this pressure. A reconstructive phase transition is required to induce conformational changes in the structure, which was confirmed by the results of crystallisation at high pressure.

  17. A Moessbauer effect investigation of superparamagnetic behavior in ball milled Mn-Zn ferrites

    Energy Technology Data Exchange (ETDEWEB)

    Dunlap, R.A.; Alghamdi, A.; O' Brien, J.W.; Penney, S.J

    2004-02-25

    Nanostructured Mn{sub 1-x}Zn{sub x}Fe{sub 2}O{sub 4}, with x=0.4, 0.5, 0.6 and 0.7, were prepared by ball milling and were investigated using X-ray diffraction and {sup 57}Fe Moessbauer effect methods. Nanocrystallite grain size has been determined from X-ray linewidths to be around 70 A. {sup 57}Fe Moessbauer effect spectra of all samples showed a combination of a ferromagnetic component and a superparamagnetic component. Low-temperature Moessbauer measurements confirmed the identity of the superparamagnetic component and provided mean grain sizes consistent with the X-ray results.

  18. Techniques in high pressure neutron scattering

    CERN Document Server

    Klotz, Stefan

    2013-01-01

    Drawing on the author's practical work from the last 20 years, Techniques in High Pressure Neutron Scattering is one of the first books to gather recent methods that allow neutron scattering well beyond 10 GPa. The author shows how neutron scattering has to be adapted to the pressure range and type of measurement.Suitable for both newcomers and experienced high pressure scientists and engineers, the book describes various solutions spanning two to three orders of magnitude in pressure that have emerged in the past three decades. Many engineering concepts are illustrated through examples of rea

  19. High pressure water jet mining machine

    Science.gov (United States)

    Barker, Clark R.

    1981-05-05

    A high pressure water jet mining machine for the longwall mining of coal is described. The machine is generally in the shape of a plowshare and is advanced in the direction in which the coal is cut. The machine has mounted thereon a plurality of nozzle modules each containing a high pressure water jet nozzle disposed to oscillate in a particular plane. The nozzle modules are oriented to cut in vertical and horizontal planes on the leading edge of the machine and the coal so cut is cleaved off by the wedge-shaped body.

  20. Experiment on wear behavior of high pressure gas seal faces

    Science.gov (United States)

    Xu, Jing; Peng, Xudong; Bai, Shaoxian; Meng, Xiangkai; Li, Jiyun

    2014-11-01

    Current researches show that mechanical deformation of seal ring face makes fluid film clearance decrease at high pressure side, thus a divergent clearance is formed and face wear occurs more seriously at the high pressure side than that on the low pressure side. However, there is still lack of published experimental works enough to prove the theoretical results. In this paper, a spiral groove dry gas seal at high pressures is experimentally investigated so as to prove the face wear happened at the high pressure side of seal faces due to the face mechanical deformation, and the wear behavior affected by seal ring structure is also studied. The experimental results show that face wear would occur at the high pressure side of seal faces due to the deformation, thus the leakage and face temperature increase, which all satisfies the theoretical predictions. When sealed pressure is not less than 5 MPa, the pressure can provide enough opening force to separate the seal faces. The seal ring sizes have obvious influence on face wear. Face wear, leakage and face temperature of a dry gas seal with the smaller cross sectional area of seal ring are less than that of a dry gas seal with bigger one, and the difference of leakage rate between these two sizes of seal face width is in the range of 24%-25%. Compared with the effect of seal ring sizes, the effect of secondary O-ring seal position on face deformation and face wear is less. The differences between these two types of dry gas seals with different secondary O-ring seal positions are less than 5.9% when the rotational speed varies from 0 to 600 r/min. By linking face wear and sealing performance changes to the shift in mechanical deformation of seal ring, this research presents an important experimental method to study face deformation of a dry gas seal at high pressures.

  1. Preparation of the electroplated Ni and Co films for applying betavoltaic battery and Moessbauer source

    Energy Technology Data Exchange (ETDEWEB)

    Uhm, Young Rang; Choi, Sang Mu; Kim, Jin Joo; Kim, Jong Bum; Son, Kwang Jae; Hong, Jintae [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2016-10-15

    The reverse occurs at the anode where metallic nickel is dissolved to form divalent positively charged ions that enter the solution. The nickel ions discharged at the cathode are replenished by those formed at the anode. In this study, a Co-and Ni- plating solution is prepared using two different baths. One is the acid-based buffer (pH 3-4) containing boric acid, sodium chloride, and saccharin. The rest is the base-based buffer (pH 10) containing hydrazine hydrate and ammonium citrate. The optimization of the electroplating parameters for the deposition of Co on plate was considered as indispensable. A betavoltaic battery was fabricated using Ni-63 attached on a P-N junction semiconductor, and the I-V characteristics were measured using a probe station. The thickness-dependent self-shielding effect of the radioisotope layer was investigated. Also, the aim of this work was determination of the optimal parameters for thermal diffusion of the electroplated Co into the Rh structure. To establish preparation of betavoltaic battery, and Moessbauer source, natural Ni and Co were electroplated on the Rh plate. Both the acid-based buffer (pH 3) and the alkarine-based buffer (pH 10) are used for plating bath. The deposition yield of the alkarine electrolyte is relatively higher than those of the acidic bath. optimum conditions for the homogeneous diffusion is determined at annealing temperatures of 1100 .deg. C for 3h under the high vacuum atmosphere (10{sup -5} hPa). The proposed condition in this study should be applied to prepare 57Co/Rh Moessbauer source at near future.

  2. Moessbauer study of the (Ru{sub 1-x}Fe{sub x})Sr{sub 2}GdCu{sub 2}O{sub 8-{delta}} system and two of its possible impurities: SrRuO{sub 3} and Gd{sub 2}CuO{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Gomez, R., E-mail: rgomez@servidor.unam.mx; Marquina, V.; Arevalo, A.; Perez, J. L.; Ridaura, R.; Marquina, M. L. [Universidad Nacional Autonoma de Mexico, Facultad de Ciencias (Mexico); Escamilla, R.; Akachi, T. [Universidad Nacional Autonoma de Mexico, Instituto de Investigaciones en Materiales (Mexico)

    2006-07-15

    Moessbauer spectra of a series of samples of the weak ferromagnetic (Ru{sub 1-x}Fe{sub x})Sr{sub 2}GdCu{sub 2}O{sub 8-{delta}} system reveal the existence of three dissimilar sites where the Fe atoms can go into the structure. The Moessbauer parameters of the three observed quadrupole doublets, together with the relative population on each site, allow the following site assignment for the iron atoms: Fe{sup 3+} in four-fold planar coordination at Ru sites; Fe{sup 3+} in five-fold pyramidal coordination also at Ru sites and Fe{sup 2+} or Fe{sup 3+} in five-fold coordination at Cu sites. This assignment implies the formation of oxygen-vacancies at the charge reservoir (the RuO{sub 2} planes) that affect the structure and the superconducting and magnetic properties of the undoped system. Moreover, a close correlation between the oxygen content, calculated through the Moessbauer data, and the measured cell volume is established. We also report the Moessbauer spectra of two compounds (SrRu{sub 0.95}Fe{sub 0.05}O{sub 3} and Gd{sub 2}Cu{sub 0.95}Fe{sub 0.05}O{sub 4}) that could be formed as impurities during the synthesis of our samples.

  3. Cobalt ferrite nanoparticles under high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Saccone, F. D.; Ferrari, S.; Grinblat, F.; Bilovol, V. [Instituto de Tecnologías y Ciencias de la Ingeniería, “Ing. H. Fernández Long,” Av. Paseo Colón 850 (1063), Buenos Aires (Argentina); Errandonea, D., E-mail: daniel.errandonea@uv.es [Departamento de Fisica Aplicada, Institut Universitari de Ciència dels Materials, Universitat de Valencia, c/ Doctor Moliner 50, E-46100 Burjassot, Valencia (Spain); Agouram, S. [Departamento de Física Aplicada y Electromagnetismo, Universitat de València, 46100 Burjassot, Valencia (Spain)

    2015-08-21

    We report by the first time a high pressure X-ray diffraction and Raman spectroscopy study of cobalt ferrite (CoFe{sub 2}O{sub 4}) nanoparticles carried out at room temperature up to 17 GPa. In contrast with previous studies of nanoparticles, which proposed the transition pressure to be reduced from 20–27 GPa to 7.5–12.5 GPa (depending on particle size), we found that cobalt ferrite nanoparticles remain in the spinel structure up to the highest pressure covered by our experiments. In addition, we report the pressure dependence of the unit-cell parameter and Raman modes of the studied sample. We found that under quasi-hydrostatic conditions, the bulk modulus of the nanoparticles (B{sub 0} = 204 GPa) is considerably larger than the value previously reported for bulk CoFe{sub 2}O{sub 4} (B{sub 0} = 172 GPa). In addition, when the pressure medium becomes non-hydrostatic and deviatoric stresses affect the experiments, there is a noticeable decrease of the compressibility of the studied sample (B{sub 0} = 284 GPa). After decompression, the cobalt ferrite lattice parameter does not revert to its initial value, evidencing a unit cell contraction after pressure was removed. Finally, Raman spectroscopy provides information on the pressure dependence of all Raman-active modes and evidences that cation inversion is enhanced by pressure under non-hydrostatic conditions, being this effect not fully reversible.

  4. A study of the convective flow as a function of external parameters in a high-pressure metal halide discharge lamp (HgDyI3)

    Science.gov (United States)

    Hajji, S.; HadjSalah, S.; Benhalima, A.; Charrada, K.; Zissis, G.

    2016-06-01

    This paper deals with the modelling of the convection processes in metal-halide lamp discharges (HgDyI3). For this, we realized a 3D model, a steady, direct current powered and time-depending model for the solution of conservation equations relative to mass, momentum, and energy. After validation, this model was applied to the study of the effect of some parameters that have appeared on major transport phenomena of mass and energy in studying the lamp. Indeed, the electric current, the atomic ratio (Hg/Dy), and the effect of the convective transport have been studied.

  5. A study of the convective flow as a function of external parameters in a high-pressure metal halide discharge lamp (HgDyI{sub 3})

    Energy Technology Data Exchange (ETDEWEB)

    Hajji, S.; HadjSalah, S.; Benhalima, A.; Charrada, K. [Unité d' Etude des Milieux Ionisés et Réactifs, IPEIM, 5019 route de Kairouan Monastir, Université de Monastir (Tunisia); Zissis, G. [Laboratoire Plasma et Conversion d' Énergie, 118 rte Narbonne, Bât3R2, 31062 Toulouse (France)

    2016-06-15

    This paper deals with the modelling of the convection processes in metal–halide lamp discharges (HgDyI{sub 3}). For this, we realized a 3D model, a steady, direct current powered and time-depending model for the solution of conservation equations relative to mass, momentum, and energy. After validation, this model was applied to the study of the effect of some parameters that have appeared on major transport phenomena of mass and energy in studying the lamp. Indeed, the electric current, the atomic ratio (Hg/Dy), and the effect of the convective transport have been studied.

  6. High pressure synthesis of bismuth disulfide

    DEFF Research Database (Denmark)

    Søndergaard-Pedersen, Simone; Nielsen, Morten Bormann; Bremholm, Martin

    In this research the BiS2 compound was synthesized by a high pressure and high temperature method using a multi-anvil large volume press and the structure was solved by single crystal diffraction. The structure contains Bi atoms in distorted square-based pyramidal coordination to five surrounding...

  7. Development of high pressure proportional counters

    Energy Technology Data Exchange (ETDEWEB)

    Oddone, P.; Smith, G.; Green, A.; Nemethy, P.; Baksay, L.; Schick, L.; Heflin, E.G.

    1986-12-01

    We have begun to investigate the possibility of operating gas counters at high pressures. In a first step we were able to operate cylindrical chambers up to 430 atm with a gas gain of about 300 using a mixture of 92% Ar and 8% CH/sub 4/.

  8. High-field/high-pressure ESR.

    Science.gov (United States)

    Sakurai, T; Okubo, S; Ohta, H

    2017-07-01

    We present a historical review of high-pressure ESR systems with emphasis on our recent development of a high-pressure, high-field, multi-frequency ESR system. Until 2000, the X-band system was almost established using a resonator filled with dielectric materials or a combination of the anvil cell and dielectric resonators. Recent developments have shifted from that in the low-frequency region, such as X-band, to that in multi-frequency region. High-pressure, high-field, multi-frequency ESR systems are classified into two types. First are the systems that use a vector network analyzer or a quasi-optical bridge, which have high sensitivity but a limited frequency region; the second are like our system, which has a very broad frequency region covering the THz region, but lower sensitivity. We will demonstrate the usefulness of our high-pressure ESR system, in addition to its experimental limitations. We also discuss the recent progress of our system and future plans. Copyright © 2017 Elsevier Inc. All rights reserved.

  9. High-pressure oxidation of methane

    NARCIS (Netherlands)

    Hashemi, Hamid; Christensen, Jakob M.; Gersen, Sander; Levinsky, Howard; Klippenstein, Stephen J.; Glarborg, Peter

    2016-01-01

    Methane oxidation at high pressures and intermediate temperatures was investigated in a laminar flow reactor and in a rapid compression machine (RCM). The flow-reactor experiments were conducted at 700–900 K and 100 bar for fuel-air equivalence ratios (Φ) ranging from 0.06 to 19.7, all highly

  10. High pressure metrology for industrial applications

    Science.gov (United States)

    Sabuga, Wladimir; Rabault, Thierry; Wüthrich, Christian; Pražák, Dominik; Chytil, Miroslav; Brouwer, Ludwig; Ahmed, Ahmed D. S.

    2017-12-01

    To meet the needs of industries using high pressure technologies, in traceable, reliable and accurate pressure measurements, a joint research project of the five national metrology institutes and the university was carried out within the European Metrology Research Programme. In particular, finite element methods were established for stress–strain analysis of elastic and nonlinear elastic–plastic deformation, as well as of contact processes in pressure-measuring piston-cylinder assemblies, and high-pressure components at pressures above 1 GPa. New pressure measuring multipliers were developed and characterised, which allow realisation of the pressure scale up to 1.6 GPa. This characterisation is based on research including measurements of material elastic constants by the resonant ultrasound spectroscopy, hardness of materials of high pressure components, density and viscosity of pressure transmitting liquids at pressures up to 1.4 GPa and dimensional measurements on piston-cylinders. A 1.6 GPa pressure system was created for operation of the 1.6 GPa multipliers and calibration of high pressure transducers. A transfer standard for 1.5 GPa pressure range, based on pressure transducers, was built and tested. Herewith, the project developed the capability of measuring pressures up to 1.6 GPa, from which industrial users can calibrate their pressure measurement devices for accurate measurements up to 1.5 GPa.

  11. The Birmingham experience of high-pressure methylene blue dye test during primary and revisional bariatric surgery: A retrospective cohort study

    Directory of Open Access Journals (Sweden)

    G.C. Kirby

    2017-11-01

    Conclusion: Despite routine use of methylene blue dye test in 924 patients, there were only two positive tests. Whilst HPMB may demonstrate technical failure, this study suggests that there is no role for its routine use in primary bariatric surgery. Discontinuation of this practice would reduce risk of anaphylaxis to the dye, cost, and intra-operative time.

  12. Advanced Diagnostics for High Pressure Spray Combustion.

    Energy Technology Data Exchange (ETDEWEB)

    Skeen, Scott A.; Manin, Julien Luc; Pickett, Lyle M.

    2014-06-01

    The development of accurate predictive engine simulations requires experimental data to both inform and validate the models, but very limited information is presently available about the chemical structure of high pressure spray flames under engine- relevant conditions. Probing such flames for chemical information using non- intrusive optical methods or intrusive sampling techniques, however, is challenging because of the physical and optical harshness of the environment. This work details two new diagnostics that have been developed and deployed to obtain quantitative species concentrations and soot volume fractions from a high-pressure combusting spray. A high-speed, high-pressure sampling system was developed to extract gaseous species (including soot precursor species) from within the flame for offline analysis by time-of-flight mass spectrometry. A high-speed multi-wavelength optical extinction diagnostic was also developed to quantify transient and quasi-steady soot processes. High-pressure sampling and offline characterization of gas-phase species formed following the pre-burn event was accomplished as well as characterization of gas-phase species present in the lift-off region of a high-pressure n-dodecane spray flame. For the initial samples discussed in this work several species were identified, including polycyclic aromatic hydrocarbons (PAH); however, quantitative mole fractions were not determined. Nevertheless, the diagnostic developed here does have this capability. Quantitative, time-resolved measurements of soot extinction were also accomplished and the novel use of multiple incident wavelengths proved valuable toward characterizing changes in soot optical properties within different regions of the spray flame.

  13. Effect of high pressurized carbon dioxide on Escherichia coli ...

    African Journals Online (AJOL)

    Carbon dioxide at high pressure can retard microbial growth and sometimes kill microorganisms depending on values of applied pressure, temperature and exposure time. In this study the effect of high pressurised carbon dioxide (HPCD) on Escherichia coli was investigated. Culture of E. coli was subjected to high ...

  14. Correlation between non-Fermi-liquid behavior and superconductivity in (Ca, La)(Fe,Co)As2 iron arsenides: A high-pressure study

    Science.gov (United States)

    Zhou, W.; Ke, F.; Xu, Xiaofeng; Sankar, R.; Xing, X.; Xu, C. Q.; Jiang, X. F.; Qian, B.; Zhou, N.; Zhang, Y.; Xu, M.; Li, B.; Chen, B.; Shi, Z. X.

    2017-11-01

    Non-Fermi-liquid (NFL) phenomena associated with correlation effects have been widely observed in the phase diagrams of unconventional superconducting families. Exploration of the correlation between the normal state NFL, regardless of its microscopic origins, and the superconductivity has been argued as a key to unveiling the mystery of the high-Tc pairing mechanism. Here we systematically investigate the pressure-dependent in-plane resistivity (ρ ) and Hall coefficient (RH) of a high-quality 112-type Fe-based superconductor Ca1 -xLaxFe1 -yCoyAs2 (x =0.2 ,y =0.02 ). With increasing pressure, the normal-state resistivity of the studied sample exhibits a pronounced crossover from non-Fermi-liquid to Fermi-liquid behaviors. Accompanied with this crossover, Tc is gradually suppressed. In parallel, the extremum in the Hall coefficient RH(T ) curve, possibly due to anisotropic scattering induced by spin fluctuations, is also gradually suppressed. The symbiosis of NFL and superconductivity implies that these two phenomena are intimately related. Further study on the pressure-dependent upper critical field reveals that the two-band effects are also gradually weakened with increasing pressure and reduced to the one-band Werthamer-Helfand-Hohenberg limit in the low-Tc regime. Overall, our paper supports the picture that NFL, multigap, and extreme RH(T ) are all of the same magnetic origin, i.e., the spin fluctuations in the 112 iron arsenide superconductors.

  15. Study of high-pressure hydrogen-operated wire chambers designed for a precision measurement of the singlet mu p capture rate

    CERN Document Server

    Maev, E M; Case, T A; Crowe, K M; Dick, P U; Dijksman, A; Egger, J; Fetisov, A A; Ganzha, V A; Herold, W D; Hartmann, F J; Kammel, P; Krivchitch, A G; Maev, O E; Petitjean, C; Petrov, G E; Prieels, R; Sadetsky, S M; Schapkin, G N; Schmidt, R; Semenchuk, G G; Soroka, M; Vorobyov, A A; Voropaev, N I

    2002-01-01

    This work was carried out as part of a project aiming at a greatly improved measurement of the muon capture rate from the singlet state of the mu p atom. The experiment will be performed at the intense muon beam of PSI using a new experimental method allowing high precision measurements of the lifetime of muons stopped in ultra-pure deuterium-depleted hydrogen (protium). The basic element of the detector is a time projection chamber operating in hydrogen gas at 10 bar pressure. The arrival times and trajectories of the incoming muons and the outgoing decay electrons are measured with this device providing effective suppression of background. The system of chambers and electronics is designed for the large muon stop rates required for attaining high statistical accuracy. During four beam periods at PSI, data were taken. Also, various studies of the MWPC performance in hydrogen were made including ageing studies of the chambers under irradiation with stopped muons and with alpha and beta sources. It was demonst...

  16. An unconventional metallic state in YbRh sub 2 (Si sub 1 sub - sub x Ge sub x) sub 2 - a high pressure study

    CERN Document Server

    Mederle, S; Geibel, C; Grosche, F M; Sparn, G; Trovarelli, O; Steglich, F

    2002-01-01

    We present a detailed pressure study of the electrical resistivity rho(T) and the specific heat C(T) of the non-Fermi-liquid (NFL) compound YbRh sub 2 Si sub 2 and of rho(T) for a single crystal in which 5 at.% of Si is replaced by isoelectronic Ge. The magnetic phase diagram is deduced up to p approx = 2.5 GPa. A comparison of the effects of the volume change introduced by doping and/or by hydrostatic pressure will be given. We show that the NFL behaviour observed in rho(T) as well as the magnetic phase diagram are not influenced by the disorder introduced by alloying.

  17. Oxygen Buffering in High Pressure Solid Media Assemblies: New Approach Enabling Study of fO2 from IW-4 to IW+4.5

    Science.gov (United States)

    Righter, K.; Pando, K. M.; Ross, D. K.; Butterworth, A. L.; Gainsforth, Z.; Jilly-Rehak, C. E.; Westphal, A. J.

    2017-01-01

    Oxygen fugacity is an intensive parameter that controls some fundamental chemical and physical properties in planetary materials. In terrestrial magmas high fO2 promotes magnetite stability and low fO2 causes Fe-enrichment due to magnetite suppression. In lunar and asteroidal basalts, low fO2 can allow metal to be stable. Experimental studies will therefore be most useful if they are done at a specific and relevant fO2 for the samples under consideration. Control of fO2 in the solid media apparatus (piston cylinder multi-anvil) has relied on either sliding sensors or graphite capsule buffering, which are of limited application to the wide range of fO2 recorded in planetary or astromaterials. Here we describe a new approach that allows fO2 to be specified across a wide range of values relevant to natural samples.

  18. High-Pressure/Low-Temperature Melanges in the Cycladic Blueschist Belt, Greece: Results of an Ionprobe (SHRIMP) U-Pb Study

    Science.gov (United States)

    Bröcker, M.; Keasling, A.; Pidgeon, R. T.

    2005-12-01

    The Cycladic blueschist belt (CBB) in the central Aegean Sea has experienced epidote blueschist to eclogite facies metamorphism in the Eocene (c. 50-40 Ma) during collisional processes between the Apulian microplate and Eurasia. The general geological framework is well established, but many details of the tectonometamorphic history still are not fully understood. Unresolved issues concern the importance of pre-Eocene HP metamorphism [1, 2] and the geochronological record that is preserved in melange sequences. These aspects are addressed in an ionprobe (SHRIMP) U-Pb zircon study focusing on block-matrix associations from the islands of Syros and Andros. Melanges comprise in variable mixtures eclogites, glaucophanites, meta-gabbros, ultrabasic rocks, meta-acidic gneisses and jadeitites in a serpentinitic and/or metasedimentary matrix. The origin of the block-matrix associations is controversial and in many cases it remains unclear whether these melanges record sedimentary or tectonic processes. A tectonic slab from Syros, consisting of an interlayered meta-acidic gneiss - glaucophanite sequence, yielded 206Pb/238U ages of c. 237-245 Ma, similar to ages determined for rocks collected from structurally coherent sequences on other Cycladic islands. On Syros, we have also studied zircons from a metasomatic alteration profile, which developed around a compound eclogite-jadeitite net-veined block enclosed in a serpentinite matrix. From the outside in, distinct blackwall alteration zones (c. 5-30 cm in thickness) can be distinguished, which predominantly consist either of actinolite- chlorite, glaucophane or omphacite. Zircon from the unaltered jadeitite and all reaction zones yielded 206Pb/238U ages of c. 80 Ma. Across this profile, systematic changes are observed in zircon morphology and CL patterns. U- and Th-concentrations in zircon decrease towards the peripheral rinds. These observations are difficult to reconcile with a magmatic origin of the zircons and instead we

  19. Solubility study of nickel ferrite in boric acid using a flow-through autoclave system under high temperature and high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Park, Yong Joon; Choi, Ke Chon; Ha, Yeong Keong [Nuclear Chemistry Research Division, Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2016-04-15

    The solubility of nickel ferrite in an aqueous solution of boric acid was studied by varying the pH at the temperatures ranging from 25 .deg. C to 320 .deg. C. A flow-through autoclave system was specially designed and fabricated to measure the solubility of Fe in hydrothermal solutions under high temperature and pressure. The performance of this flow-through system was directly compared with the conventional static state technique using a batch-type autoclave system. The stability of fluid velocity for the flow-through autoclave system was verified prior to the solubility measurement. The influence of chemical additives, such as boric acid and H2, on the solubility of nickel ferrite was also evaluated.

  20. High-pressure applications in medicine and pharmacology

    Science.gov (United States)

    Silva, Jerson L.; Foguel, Debora; Suarez, Marisa; Gomes, Andre M. O.; Oliveira, Andréa C.

    2004-04-01

    High pressure has emerged as an important tool to tackle several problems in medicine and biotechnology. Misfolded proteins, aggregates and amyloids have been studied, which point toward the understanding of the protein misfolding diseases. High hydrostatic pressure (HHP) has also been used to dissociate non-amyloid aggregates and inclusion bodies. The diverse range of diseases that result from protein misfolding has made this theme an important research focus for pharmaceutical and biotech companies. The use of high pressure promises to contribute to identifying the mechanisms behind these defects and creating therapies against these diseases. High pressure has also been used to study viruses and other infectious agents for the purpose of sterilization and in the development of vaccines. Using pressure, we have detected the presence of a ribonucleoprotein intermediate, where the coat protein is partially unfolded but bound to RNA. These intermediates are potential targets for antiviral compounds. The ability of pressure to inactivate viruses, prions and bacteria has been evaluated with a view toward the applications of vaccine development and virus sterilization. Recent studies demonstrate that pressure causes virus inactivation while preserving the immunogenic properties. There is increasing evidence that a high-pressure cycle traps a virus in the 'fusion intermediate state', not infectious but highly immunogenic.

  1. 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.

  2. Magnetic-crystallographic p,T-phase diagram of Fe{sub 1.141}Te: A high-pressure neutron diffraction study

    Energy Technology Data Exchange (ETDEWEB)

    Joergensen, Jens-Erik [Department of Chemistry, Aarhus University (Denmark); Hansen, Thomas Christian [Institute Max von Laue-Paul Langevin, Grenoble (France)

    2016-11-15

    The crystal and magnetic structures of Fe{sub 1.141}Te have been studied by neutron powder diffraction in the temperature range from 5 to 106 K and pressures in the range from ambient to ∼2.7 GPa. The p,T-phase diagram contains three phases with monoclinic, orthorhombic, and tetragonal symmetry. The monoclinic phase was found to be stable for T 2.16 GPa. The monoclinic phase shows commensurate bicollinear antiferromagnetic order with propagation vector k = (1/2 0 1/2), while the orthorhombic phase is incommensurately antiferromagnetically ordered with propagation vector k = (1/2-δ 0 1/2). The δ-parameter increases linearly with the pressure for 0.4 or similar 2.1 GPa and temperatures less than ∝68 K, depending on the pressure. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  3. Anharmonic enhancement of superconductivity in metallic molecular Cmca  -  4 hydrogen at high pressure: a first-principles study.

    Science.gov (United States)

    Borinaga, Miguel; Riego, P; Leonardo, A; Calandra, Matteo; Mauri, Francesco; Bergara, Aitor; Errea, Ion

    2016-12-14

    First-principles calculations based on density-functional theory including anharmonicity within the variational stochastic self-consistent harmonic approximation are applied to understand how the quantum character of the proton affects the candidate metallic molecular Cmca  -  4 structure of hydrogen in the 400-450 GPa pressure range, where metallization of hydrogen is expected to occur. Anharmonic effects, which become crucial due to the zero-point motion, have a large impact on the hydrogen molecules by increasing the intramolecular distance by approximately a 6%. This induces two new electron pockets at the Fermi surface opening new scattering channels for the electron-phonon interaction. Consequently, the electron-phonon coupling constant and the superconducting critical temperature are approximately doubled by anharmonicity and Cmca  -  4 hydrogen becomes a superconductor above 200 K in all the studied pressure range. Contrary to many superconducting hydrides, where anharmoncity tends to lower the superconducting critical temperature, our results show that it can enhance superconductivity in molecular hydrogen.

  4. Feasibility of generating a useful laser-induced breakdown spectroscopy plasma on rocks at high pressure: preliminary study for a Venus mission

    Energy Technology Data Exchange (ETDEWEB)

    Arp, Zane A.; Cremers, David A. E-mail: cremers_david@lanl.gov; Harris, Ronny D.; Oschwald, David M.; Parker, Gary R.; Wayne, David M

    2004-07-30

    Laser-induced breakdown spectroscopy (LIBS) is being developed for future use on landers and rovers to Mars. The method also has potential for use on probes to other planets, the Moon, asteroids and comets. Like Mars, Venus is of strong interest because of its proximity to earth, but unlike Mars, conditions at the surface are far more hostile with temperatures in excess of 700 K and pressures on the order of 9.1 MPa (90 atm). These conditions present a significant challenge to spacecraft design and demand that rapid methods of chemical data gathering be implemented. The advantages of LIBS (e.g. stand-off and very rapid analysis) make the method particularly attractive for Venus exploration because of the expected short operational lifetimes ({approx}2 h) of surface instrumentation. Although the high temperature of Venus should pose no problem to the analytical capabilities of the LIBS spark, the demonstrated strong dependence of laser plasma characteristics on ambient gas pressures below earth atmospheric pressure requires that LIBS measurements be evaluated at the high Venus surface pressures. Here, we present a preliminary investigation of LIBS at 9.1 MPa for application to the analysis of a basalt rock sample. The results suggest the feasibility of the method for a Venus surface probe and that further study is justified.

  5. First-principles study on the structural, elastic and electronic properties of Ti4N3 and Ti6N5 under high pressure

    Science.gov (United States)

    Yang, Ruike; Chai, Bao; Zhu, Chuanshuai; Wei, Qun; Du, Zheng

    2017-12-01

    The structural, elastic and electronic properties of Ti4N3 and Ti6N5 have been systematically studied by first-principles calculations based on density functional theory (DFT) with generalized gradient approximation (GGA) and local density approximation (LDA). Basic physical properties for Ti4N3 and Ti6N5, such as the lattice constants, the bulk modulus, shear modulus, and elastic constants are calculated. The results show that Ti4N3 and Ti6N5 are mechanically stable under ambient pressure. The phonon dispersion spectra are researched throughout the Brillouin zone via the linear response approach as implemented in the CASTEP code, which indicate the optimized structures are stable dynamically. The Young’s modulus E and Poisson’s ratios ν are also determined within the framework of the Voigt-Reuss-Hill approximation. The analyses show that Ti4N3 is more ductile than Ti6N5 at the same pressure and ductility increases as the pressure increases. Moreover, the anisotropies of the Ti4N3 and Ti6N5 are discussed by the Young’s modulus at different directions, and the results indicate that the anisotropy of the two Ti-N compounds is obvious. The total density of states (TDOS) and partial density of states (PDOS) show that the TDOS of TiN, Ti4N3 and Ti6N5 originate mainly from Ti “d” and N “p” states. The results show that Ti4N3 and Ti6N5 present semimetal character. Pressure makes the level range of DOS significantly extended, for TiN, Ti4N3 and Ti6N5. The TDOS decreases with the pressure rise, at Fermi level.

  6. Collision condition indicted by High Pressure Phases in a Chondrite

    Science.gov (United States)

    Kato, Y.; Sekine, T.; Kayama, M.; Miyahara, M.; Yamaguchi, A.

    2012-12-01

    It has been generally recognized that there were many collisions during planetary accretion. Chondrites include the materials at the time of formation of the solar system. It is essential to unravel the shock history in meteorites and the parent planet in order to understand such collisional processes. In this study, we investigate a thin section of ordinary chondrite Y-790729 classified as L6 in which high-pressure minerals are found in the about 620-μm-wide shock vein. The mineralogical and chemical features give us detailed information to constrain the shock conditions. We have tried to constrain the P-T condition from the viewpoints of the mineral assemblage and cathodoluminescense (CL) spectroscopy. Y-790729 consists mostly of olivine and pyroxene and has shock veins. To identify high pressure phases, we used an optical microscope, a scanning electron microscope (SEM), micro Raman spectroscopy, and electron probe micro analyzer (EPMA). In addition, scanning electron microscopy-cathodoluminescence (SEM-CL) analysis, detectable shock-induced defect centers, was used to characterize the shock metamorphism in feldspar minerals. The presence of shock vein, maskelynite, and high pressure phases confirms shock record. 7 high pressure phases of ringwoodite, high-pressure clinoenstatite (HPC), majorite, merrillite, lingunite, high-pressure chromite and akimotoite were found in this section. All of them exist only in a shock vein, but maskelynite occurs everywhere in the section. From these observations, it is obvious that the shock vein experienced the high pressure and high temperature generated by shock wave. If some of the high pressure minerals are equilibrated, the P-T condition can be estimated. Based on the equilibrium phase diagram of MgSiO3 polymorphs (Presnall. 1995), the P-T conditions for crystallization of majorite, HPC and akimotoite is about 17 GPa and 1600 oC, because the compositions of the three phases are close to MgSiO3. It is consistent with the

  7. Pargasite at high pressure and temperature

    Science.gov (United States)

    Comboni, Davide; Lotti, Paolo; Gatta, G. Diego; Merlini, Marco; Liermann, Hanns-Peter; Frost, Daniel J.

    2017-08-01

    The P-T phase stability field, the thermoelastic behavior and the P-induced deformation mechanisms at the atomic scale of pargasite crystals, from the "phlogopite peridotite unit" of the Finero mafic-ultramafic complex (Ivrea-Verbano Formation, Italy), have been investigated by a series of in situ experiments: (a) at high pressure (up to 20.1 GPa), by single-crystal synchrotron X-ray diffraction with a diamond anvil cell, (b) at high temperature (up to 823 K), by powder synchrotron X-ray diffraction using a hot air blower device, and (c) at simultaneous HP-HT conditions, by single-crystal synchrotron X-ray diffraction with a resistive-heated diamond anvil cell (P max = 16.5 GPa, T max = 1200 K). No phase transition has been observed within the P-T range investigated. At ambient T, the refined compressional parameters, calculated by fitting a second-order Birch-Murnaghan Equation of State (BM-EoS), are: V 0 = 915.2(8) Å3 and K P0,T0 = 95(2) GPa (β P0,T0 = 0.0121(2) GPa-1) for the unit-cell volume; a 0 = 9.909(4) Å and K(a) P0,T0 = 76(2) GPa for the a-axis; b 0 = 18.066(7) Å and K(b) P0,T0 = 111(2) GPa for the b-axis; c 0 = 5.299(5) Å and K(c) P0,T0 = 122(12) GPa for the c-axis [K(c) P0,T0 K(b) P0,T0 > K(a) P0,T0]. The high-pressure structure refinements (at ambient T) show a moderate contraction of the TO4 double chain and a decrease of its bending in response to the hydrostatic compression, along with a pronounced compressibility of the A- and M(4)-polyhedra [K P0, T0(A) = 38(2) GPa, K P0, T0(M4) = 79(5) GPa] if compared to the M(1)-, M(2)-, M(3)-octahedra [K P0, T0(M1,2,3) ≤ 120 GPa] and to the rigid tetrahedra [K P0, T0(T1,T2) 300 GPa]. The thermal behavior, at ambient pressure up to 823 K, was modelled with Berman's formalism, which gives: V 0 = 909.1(2) Å3, α0 = 2.7(2)·10-5 K-1 and α1 = 1.4(6)·10-9 K-2 [with α0(a) = 0.47(6)·10-5 K-1, α0(b) = 1.07(4)·10-5 K-1, and α0(c) = 0.97(7)·10-5 K-1]. The petrological implications for the experimental

  8. Pressure Dome for High-Pressure Electrolyzer

    Science.gov (United States)

    Norman, Timothy; Schmitt, Edwin

    2012-01-01

    A high-strength, low-weight pressure vessel dome was designed specifically to house a high-pressure [2,000 psi (approx. = 13.8 MPa)] electrolyzer. In operation, the dome is filled with an inert gas pressurized to roughly 100 psi (approx. = 690 kPa) above the high, balanced pressure product oxygen and hydrogen gas streams. The inert gas acts to reduce the clamping load on electrolyzer stack tie bolts since the dome pressure acting axially inward helps offset the outward axial forces from the stack gas pressure. Likewise, radial and circumferential stresses on electrolyzer frames are minimized. Because the dome is operated at a higher pressure than the electrolyzer product gas, any external electrolyzer leak prevents oxygen or hydrogen from leaking into the dome. Instead the affected stack gas stream pressure rises detectably, thereby enabling a system shutdown. All electrical and fluid connections to the stack are made inside the pressure dome and require special plumbing and electrical dome interfaces for this to be accomplished. Further benefits of the dome are that it can act as a containment shield in the unlikely event of a catastrophic failure. Studies indicate that, for a given active area (and hence, cell ID), frame outside diameter must become ever larger to support stresses at higher operating pressures. This can lead to a large footprint and increased costs associated with thicker and/or larger diameter end-plates, tie-rods, and the frames themselves. One solution is to employ rings that fit snugly around the frame. This complicates stack assembly and is sometimes difficult to achieve in practice, as its success is strongly dependent on frame and ring tolerances, gas pressure, and operating temperature. A pressure dome permits an otherwise low-pressure stack to operate at higher pressures without growing the electrolyzer hardware. The pressure dome consists of two machined segments. An O-ring is placed in an O-ring groove in the flange of the bottom

  9. Extraterrestrial Moessbauer Spectroscopy: More than Three Years of Mars Exploration and Developments for Future Missions

    Science.gov (United States)

    Schroeder, Christian; Klingelhoefer, Goestar; Morris, Richard V.; Rodionov, Daniel S.; Fleischer, Iris; Blumers, Mathias

    2007-01-01

    The NASA Mars Exploration Rovers (MER), Spirit and Opportunity, landed on the Red Planet in January 2004. Both rovers are equipped with a miniaturized Moessbauer spectrometer MIMOS II. Designed for a three months mission, both rovers and both Moessbauer instruments are still working after more than three years of exploring the Martian surface. At the beginning of the mission, with a landed intensity of the Moessbauer source of 150 mCi, a 30 minute touch and go measurement produced scientifically valuable data while a good quality Moessbauer spectrum was obtained after approximately eight hours. Now, after about five halflives of the sources have passed, Moessbauer integrations are routinely planned to last approx.48 hours. Because of this and other age-related hardware degradations of the two rover systems, measurements now occur less frequently, but are still of outstanding quality and scientific importance. Summarizing important Moessbauer results, Spirit has traversed the plains from her landing site in Gusev crater and is now, for the greater part of the mission, investigating the stratigraphically older Columbia Hills. Olivine in rocks and soils in the plains suggests that physical rather than chemical processes are currently active.

  10. High-Pressure Study on Lead Fluorapatite

    Energy Technology Data Exchange (ETDEWEB)

    Liu, X.; Shieh, S; Fleet, M; Akhmetov, A

    2008-01-01

    The compressional behavior of a synthetic lead fluorapatite [Pb9.35(PO4)6F2] has been investigated in situ up to about 16.7 GPa at 300 K, using a diamond-anvil cell and synchrotron X-ray diffraction. We find that the compressibility of lead fluorapatite is significantly different from that of fluorapatite [Ca10(PO4)6F2], chlorapatite [Ca10(PO4)6Cl2], and hydroxylapatite [Ca10(PO4)6(OH)2]: lead fluorapatite is much more compressible, and elastically isotropic in the investigated pressure range. The pressure-volume data fitted to the third-order Birch-Murnaghan equation yield an isothermal bulk modulus (KT) of 54.3(18) GPa and the pressure derivative (KT') of 8.1(6). If KT' is fixed at 4, the obtained KT is 68.4(16) GPa, which is approximately only two-thirds of the isothermal bulk modulus of the calcium apatites.

  11. Basic Studies on High Pressure Air Plasmas

    Science.gov (United States)

    2006-08-30

    AOM is screwed to its mounting system, whereas the visible AOM is just glued using nail polish . noplasnoir2. phas- royenne aur :50 soua-dom Decim...part of the plasma near- UV emission spectrum for a 3 mm gap and a 20 mA current. Molecular bands can be identified: NO (y system, 200-260 nm), OH (0...200 210 220 230 240 250 260 300 310 320 330 340 350 360 Wavelength (nm) Wavelength (nm) Figure 9. Plasma UV emission spectrum A simulation of the

  12. High-pressure oxidation of methane

    DEFF Research Database (Denmark)

    Hashemi, Hamid; Christensen, Jakob Munkholt; Gersen, Sander

    2016-01-01

    Methane oxidation at high pressures and intermediate temperatures was investigated in a laminar flow reactor and in a rapid compression machine (RCM). The flow-reactor experiments were conducted at 700–900 K and 100 bar for fuel-air equivalence ratios (Φ) ranging from 0.06 to 19.7, all highly...... diluted in nitrogen. It was found that under the investigated conditions, the onset temperature for methane oxidation ranged from 723 K under reducing conditions to 750 K under stoichiometric and oxidizing conditions. The RCM experiments were carried out at pressures of 15–80 bar and temperatures of 800......–1250 K under stoichiometric and fuel-lean (Φ=0.5) conditions. Ignition delays, in the range of 1–100 ms, decreased monotonically with increasing pressure and temperature. A chemical kinetic model for high-pressure methane oxidation was established, with particular emphasis on the peroxide chemistry...

  13. Melting point of polymers under high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Seeger, Andreas [Technische Universitaet Darmstadt, Ernst Berl-Institut fuer Technische und Makromolekulare Chemie, Petersenstr. 20, D-64287 Darmstadt (Germany)], E-mail: seeger@chemie.tu-darmstadt.de; Freitag, Detlef [Friedrich-Alexander-Universitaet, Erlangen-Nuernberg (Germany); Freidel, Frank [Technische Universitaet Darmstadt, Ernst Berl-Institut fuer Technische und Makromolekulare Chemie, Petersenstr. 20, D-64287 Darmstadt (Germany); Luft, Gerhard [Technische Universitaet Darmstadt, Ernst Berl-Institut fuer Technische und Makromolekulare Chemie, Petersenstr. 20, D-64287 Darmstadt (Germany)], E-mail: luft@bodo.ct.chemie.tu-darmstadt.de

    2009-03-20

    The influence of highly compressed gases on the melting of polyethylene was investigated for nitrogen, helium and ethylene. The impact of the particle size of the polymer and the heating rate on the melting point were also analysed. The melting points were determined with a high pressure differential thermal analysis (HPDTA) apparatus. These measurements were compared with independent measurements, done by high pressure differential scanning calorimetry (HPDSC), without gas. From this experimental data it was possible to calculate the concentration of the gas in the molten polymer phase based on equilibrium thermodynamics. For high density polyethylene (HDPE), a concentration of nitrogen at the polymer melting point of 10.4-35.7 mL(SATP) g(polymer){sup -1}, in the pressure interval of 65-315 MPa, was calculated.

  14. Stability of xenon oxides at high pressures.

    Science.gov (United States)

    Zhu, Qiang; Jung, Daniel Y; Oganov, Artem R; Glass, Colin W; Gatti, Carlo; Lyakhov, Andriy O

    2013-01-01

    Xenon, which is quite inert under ambient conditions, may become reactive under pressure. The possibility of the formation of stable xenon oxides and silicates in the interior of the Earth could explain the atmospheric missing xenon paradox. Using an ab initio evolutionary algorithm, we predict the existence of thermodynamically stable Xe-O compounds at high pressures (XeO, XeO(2) and XeO(3) become stable at pressures above 83, 102 and 114 GPa, respectively). Our calculations indicate large charge transfer in these oxides, suggesting that large electronegativity difference and high pressure are the key factors favouring the formation of xenon compounds. However, xenon compounds cannot exist in the Earth's mantle: xenon oxides are unstable in equilibrium with the metallic iron occurring in the lower mantle, and xenon silicates are predicted to decompose spontaneously at all mantle pressures (xenon atoms may be retained at defects in mantle silicates and oxides.

  15. High pressure layered structure of carbon disulfide

    OpenAIRE

    Naghavi, S. Shahab; Crespo, Yanier; Martonak, Roman; Tosatti, Erio

    2015-01-01

    Solid CS$_{2}$ is superficially similar to CO$_{2}$, with the same $Cmca$ molecular crystal structure at low pressures, which has suggested similar phases also at high pressures. We carried out an extensive first principles evolutionary search in order to identify the zero temperature lowest enthalpy structures of CS$_{2}$ for increasing pressure up to 200\\,GPa. Surprisingly, the molecular $Cmca$ phase does not evolve into $\\beta$-cristobalite as in CO$_{2}$, but transforms instead into phase...

  16. 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), ...

  17. High Pressure Multicomponent Adsorption in Porous Media

    DEFF Research Database (Denmark)

    Shapiro, Alexander; Stenby, Erling Halfdan

    1999-01-01

    We analyse adsorption of a multicomponent mixture at high pressure on the basis of the potential theory of adsorption. The adsorbate is considered as a segregated mixture in the external field produced by a solid adsorbent. we derive an analytical equation for the thickness of a multicomponent film...... close to a dew point. This equation (asymptotic adsorption equation, AAE) is a first order approximation with regard to the distance from a phase envelope....

  18. CRRT Connected to ECMO: Managing High Pressures.

    Science.gov (United States)

    de Tymowski, Christian; Augustin, Pascal; Houissa, Hamda; Allou, Nicolas; Montravers, Philippe; Delzongle, Alienor; Pellenc, Quentin; Desmard, Mathieu

    Metabolic disorders and fluid overload are indications of continuous renal replacement therapy (CRRT) including continuous venovenous hemofiltration in patients on extracorporeal membrane oxygenation (ECMO). Direct connection of CRRT machine to the ECMO circuit provides many advantages. Nevertheless, because pressures in CRRT lines relate to ECMO blood flow, high ECMO blood flow may be associated with high pressures in CRRT lines. Thus, management of CRRT pressure lines becomes challenging. We evaluated a protocol for managing high CRRT pressures. Connections were performed according to a standardized protocol to maintain CRRT lines in the correct pressure ranges without modifying ECMO settings or inhibiting pressure alarms. To achieve this goal, the way of connecting of CRRT lines was adapted following a standardized protocol. Connection was first attempted between pump and oxygenator in the 12 patients. In five cases, high pressures in CRRT lines were successfully managed by changing the connection segment. Continuous renal replacement therapy parameters were within target levels and reduction of serum creatinine was 37%. In conclusion, management of high pressures in CRRT lines induced by ECMO could be achieved without modifying ECMO blood flow or inhibiting CRRT alarms. Iterative stops were avoided allowing efficient procedures.

  19. Path Dependency of High Pressure Phase Transformations

    Science.gov (United States)

    Cerreta, Ellen

    2017-06-01

    At high pressures titanium and zirconium are known to undergo a phase transformation from the hexagonal close packed (HCP), alpha-phase to the simple-hexagonal, omega-phase. Under conditions of shock loading, the high-pressure omega-phase can be retained upon release. It has been shown that temperature, peak shock stress, and texture can influence the transformation. Moreover, under these same loading conditions, plastic processes of slip and twinning are also affected by similar differences in the loading path. To understand this path dependency, in-situ velocimetry measurements along with post-mortem metallographic and neutron diffraction characterization of soft recovered specimens have been utilized to qualitatively understand the kinetics of transformation, quantify volume fraction of retained omega-phase and characterize the shocked alpha and omega-phases. Together the work described here can be utilized to map the non-equilibrium phase diagram for these metals and lend insight into the partitioning of plastic processes between phases during high pressure transformation. In collaboration with: Frank Addesssio, Curt Bronkhorst, Donald Brown, David Jones, Turab Lookman, Benjamin Morrow, Carl Trujillo, Los Alamos National Lab.; Juan Pablo Escobedo-Diaz, University of New South Wales; Paulo Rigg, Washington State University.

  20. Characterization of high-pressure RTM processes for manufacturing of high performance composites

    OpenAIRE

    R. Chaudhari; Karcher, M.; Elsner, P.; Henning, F

    2012-01-01

    The current paper addresses new variants of the RTM process namely High Pressure-Injection Resin Transfer Molding (HP-IRTM) and High Pressure - Compression Resin Transfer Molding (HP-CRTM) for manufacturing of continuous fiber reinforced composites with high fiber volume content. Both these process utilize High Pressure RTM equipment for precise dosing and mixing of highly reactive epoxy resin and amine hardener with relatively high throughput rates. The objective of the proposed study was to...

  1. Simulation of plasma loading of high-pressure RF cavities

    Energy Technology Data Exchange (ETDEWEB)

    Yu, Kwangmin [Brookhaven; Samulyak, Roman [SUNY, Stony Brook; Yonehara, Katsuya [Fermilab; Freemire, Ben [Northern Illinois U.

    2018-01-11

    Muon beam-induced plasma loading of radio-frequency (RF) cavities filled with high pressure hydrogen gas with 1% dry air dopant has been studied via numerical simulations. The electromagnetic code SPACE, that resolves relevant atomic physics processes, including ionization by the muon beam, electron attachment to dopant molecules, and electron-ion and ion-ion recombination, has been used. Simulations studies have been performed in the range of parameters typical for practical muon cooling channels.

  2. HIGH PRESSURE COAL COMBUSTON KINETICS PROJECT

    Energy Technology Data Exchange (ETDEWEB)

    Stefano Orsino

    2005-03-30

    As part of the U.S. Department of Energy (DoE) initiative to improve the efficiency of coal-fired power plants and reduce the pollution generated by these facilities, DOE has funded the High-Pressure Coal Combustion Kinetics (HPCCK) Projects. A series of laboratory experiments were conducted on selected pulverized coals at elevated pressures with the specific goals to provide new data for pressurized coal combustion that will help extend to high pressure and validate models for burnout, pollutant formation, and generate samples of solid combustion products for analyses to fill crucial gaps in knowledge of char morphology and fly ash formation. Two series of high-pressure coal combustion experiments were performed using SRI's pressurized radiant coal flow reactor. The first series of tests characterized the near burner flame zone (NBFZ). Three coals were tested, two high volatile bituminous (Pittsburgh No.8 and Illinois No.6), and one sub-bituminous (Powder River Basin), at pressures of 1, 2, and 3 MPa (10, 20, and 30 atm). The second series of experiments, which covered high-pressure burnout (HPBO) conditions, utilized a range of substantially longer combustion residence times to produce char burnout levels from 50% to 100%. The same three coals were tested at 1, 2, and 3 MPa, as well as at 0.2 MPa. Tests were also conducted on Pittsburgh No.8 coal in CO2 entrainment gas at 0.2, 1, and 2 MPa to begin establishing a database of experiments relevant to carbon sequestration techniques. The HPBO test series included use of an impactor-type particle sampler to measure the particle size distribution of fly ash produced under complete burnout conditions. The collected data have been interpreted with the help of CFD and detailed kinetics simulation to extend and validate devolatilization, char combustion and pollutant model at elevated pressure. A global NOX production sub-model has been proposed. The submodel reproduces the performance of the detailed chemical

  3. Heterogeneous flow during high-pressure torsion

    Directory of Open Access Journals (Sweden)

    Roberto B. Figueiredo

    2013-06-01

    Full Text Available High-Pressure Torsion (HPT has attracted significant attention in recent years as an effective technique to process ultrafine and nanostructured materials. The hydrostatic pressure developed during processing prevents the occurrence of cracks and the low thickness to diameter ratio provides the opportunity for developing high strains at low numbers of rotations. The present work analyses the plastic flow during HPT. Experimental results and computer modeling are used to describe heterogeneous plastic flow. It is shown that variations in structure, hardness and in the distribution of strain are observed along the disc thickness. The sources of these heterogeneities are discussed.

  4. 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...... 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...

  5. High pressure hydroformylation in the chemical industry

    Energy Technology Data Exchange (ETDEWEB)

    Paciello, R. [BASF Aktiengesellschaft, Ludwigshafen (Germany)

    2006-07-01

    Higher oxo alcohols are intermediates for large-scale applications, such as plasticizers, detergents and fuel additives, as well as being useful in the synthesis of fine chemicals such as vitamins or flavors and fragrances. Many of these alcohols are still made using high pressure technologies. Advantages and disadvantages of different technologies presently in use or being developed are discussed. In particular, efforts to decrease raw material costs, e.g. by increasing yield, or investment, e.g. by decreasing pressure, will be highlighted. (orig.)

  6. Thermal analysis of high pressure micro plasma discharge

    Science.gov (United States)

    Mobli, Mostafa

    High pressure micro plasma discharge has been at the center of interest in recent years, because of their vast applications, ease of access and cost efficiency. This attributes to atmospheric discharges that are generated in ambient conditions and therefore can be readily applicable to everyday use. The absence of vacuum makes these high pressure discharges to be inexpensive to operate. Despite the ease of operation, the high pressure is a source of enhanced gas heating as the gas temperature cannot be controlled by diffusion alone. Gas heating is therefore an important factor when it comes to the simulation of high pressure micro plasma discharge, unlike their low pressure counterpart where the heat generation is almost negligible. Low pressure discharge due to their low degree of collisionality generates ionic species and electrons at small concentrations, whereas high pressure discharge due to their higher gas density produces ions and electrons at higher concentrations which is a direct consequence of increase collision. The higher gas density and consequential large concentration of ionic species and electron contributes directly to higher heat generation rates. . In this thesis the gas temperature transport of high pressure micro plasma discharge has been studied with a special focus on the heat source terms, temperature boundary conditions, temperature distribution in the solid phase electrodes and the gas phase and their overall influence on the plasma characteristics. For this purpose a multi-physics mathematical model has been developed that comprised of a plasma module, neutral gas temperature module, external circuit module and conjugate heat transfer module. The plasma module consisted of conservation of the different ionic, electronically excited species, radicals, neutrals and electrons, conservation of the electron temperature, and electric field. The external circuit module resolved the coupled driving circuit comprised of a voltage source, ballast

  7. Phase diagram of Nitrogen at high pressures and temperatures

    Science.gov (United States)

    Jenei, Zsolt; Lin, Jung-Fu; Yoo, Choong-Shik

    2007-03-01

    Nitrogen is a typical molecular solid with relatively weak van der Waals intermolecular interactions but strong intramolecular interaction arising from the second highest binding energy of all diatomic molecules. The phase diagram of solid nitrogen is, however, complicated at high pressures, as inter-molecular interaction becomes comparable to the intra-molecular interaction. In this paper, we present an updated phase diagram of the nitrogen in the pressure-temperature region of 100 GPa and 1000 K, based on in-situ Raman and synchrotron x-ray diffraction studies using externally heated membrane diamond anvil cells. While providing an extension of the phase diagram, our results indicate a ``steeper'' slope of the δ/ɛ phase boundary than previously determined^1. We also studied the stability of the ɛ phase at high pressures and temperatures. Our new experimental results improve the understanding of the Nitrogen phase diagram. 1. Gregoryanz et al, Phys. Rev. B 66, 224108 (2002)

  8. High Pressure Hydrogen from First Principles

    Science.gov (United States)

    Morales, M. A.

    2014-12-01

    Typical approximations employed in first-principles simulations of high-pressure hydrogen involve the neglect of nuclear quantum effects (NQE) and the approximate treatment of electronic exchange and correlation, typically through a density functional theory (DFT) formulation. In this talk I'll present a detailed analysis of the influence of these approximations on the phase diagram of high-pressure hydrogen, with the goal of identifying the predictive capabilities of current methods and, at the same time, making accurate predictions in this important regime. We use a path integral formulation combined with density functional theory, which allows us to incorporate NQEs in a direct and controllable way. In addition, we use state-of-the-art quantum Monte Carlo calculations to benchmark the accuracy of more approximate mean-field electronic structure calculations based on DFT, and we use GW and hybrid DFT to calculate the optical properties of the solid and liquid phases near metallization. We present accurate predictions of the metal-insulator transition on the solid, including structural and optical properties of the molecular phase. This work was supported by the U.S. Department of Energy at the Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344 and by LDRD Grant No. 13-LW-004.

  9. Is sodium a superconductor under high pressure?

    Science.gov (United States)

    Tutchton, Roxanne; Chen, Xiaojia; Wu, Zhigang

    2017-01-07

    Superconductivity has been predicted or measured for most alkali metals under high pressure, but the computed critical temperature (T c ) of sodium (Na) at the face-centered cubic (fcc) phase is vanishingly low. Here we report a thorough, first-principles investigation of superconductivity in Na under pressures up to 260 GPa, where the metal-to-insulator transition occurs. Linear-response calculations and density functional perturbation theory were employed to evaluate phonon distributions and the electron-phonon coupling for bcc, fcc, cI16, and tI19 Na. Our results indicate that the maximum electron-phonon coupling parameter, λ, is 0.5 for the cI16 phase, corresponding to a theoretical peak in the critical temperature at T c ≈1.2 K. When pressure decreases or increases from 130 GPa, T c drops quickly. This is mainly due to the lack of p-d hybridization in Na even at 260 GPa. Since current methods based on the Eliashberg and McMillian formalisms tend to overestimate the T c (especially the peak values) of alkali metals, we conclude that under high pressure-before the metal-to-insulator transition at 260 GPa-superconductivity in Na is very weak, if it is measurable at all.

  10. Volume analysis of supercooled water under high pressure

    OpenAIRE

    Duki, Solomon F.; Tsige, Mesfin

    2016-01-01

    Motivated by recent experimental findings on the volume of supercooled water at high pressure [O. Mishima, J. Chem. Phys. 133, 144503 (2010)] we performed atomistic molecular dynamics simulations study of bulk water in the isothermal-isobaric ensemble. Cooling and heating cycles at different isobars and isothermal compression at different temperatures are performed on the water sample with pressures that range from 0 to 1.0 GPa. The cooling simulations are done at temperatures that range from...

  11. Equation of state of liquid Indium under high pressure

    Directory of Open Access Journals (Sweden)

    Huaming Li

    2015-09-01

    Full Text Available We apply an equation of state of a power law form to liquid Indium to study its thermodynamic properties under high temperature and high pressure. Molar volume of molten indium is calculated along the isothermal line at 710K within good precision as compared with the experimental data in an externally heated diamond anvil cell. Bulk modulus, thermal expansion and internal pressure are obtained for isothermal compression. Other thermodynamic properties are also calculated along the fitted high pressure melting line. While our results suggest that the power law form may be a better choice for the equation of state of liquids, these detailed predictions are yet to be confirmed by further experiment.

  12. Introduction to high-pressure bioscience and biotechnology.

    Science.gov (United States)

    Bartlett, Douglas H

    2010-02-01

    The manipulation of biological materials using elevated pressure is providing an ever-growing number of opportunities in both the applied and basic sciences. Manipulation of pressure is a useful parameter for enhancing food quality and shelf life; inactivating microbes, viruses, prions, and deleterious enzymes; affecting recombinant protein production; controlling DNA hybridization; and improving vaccine preparation. In biophysics and biochemistry, pressure is used as a tool to study intermediates in protein folding, enzyme kinetics, macromolecular interactions, amyloid fibrous protein aggregation, lipid structural changes, and to discern the role of solvation and void volumes in these processes. Biologists, including many microbiologists, examine the utility and basis of pressure inactivation of cells and cellular processes, and conversely seek to discover how deep-sea life has evolved a preference for high-pressure environments. This introduction and the papers that follow provide information on the nature and promise of the highly interdisciplinary field of high-pressure bioscience and biotechnology (HPBB).

  13. High-pressure polymorphism of acetylsalicylic acid (aspirin): Raman spectroscopy

    Science.gov (United States)

    Crowell, Ethan L.; Dreger, Zbigniew A.; Gupta, Yogendra M.

    2015-02-01

    Micro-Raman spectroscopy was used to elucidate the high-pressure polymorphic behavior of acetylsalicylic acid (ASA), an important pharmaceutical compound known as aspirin. Using a diamond anvil cell (DAC), single crystals of the two polymorphic phases of aspirin existing at ambient conditions (ASA-I and ASA-II) were compressed to 10 GPa. We found that ASA-I does not transform to ASA-II, but instead transforms to a new phase (ASA-III) above ∼2 GPa. It is demonstrated that this transformation primarily introduces structural changes in the bonding and arrangement of the acetyl groups and is reversible upon the release of pressure. In contrast, a less dense ASA-II shows no transition in the pressure range studied, though it appears to exhibit a disordered structure above 7 GPa. Our results suggest that ASA-III is the most stable polymorph of aspirin at high pressures.

  14. The effect of high pressure on nitrogen compounds of milk

    Energy Technology Data Exchange (ETDEWEB)

    Kielczewska, Katarzyna [Institute of Dairy Science and Technology Development, Warmia and Masuria University in Olsztyn, Hevelius 1 Street, 10-957 Olsztyn (Poland); Czerniewicz, Maria [Institute of Dairy Science and Technology Development, Warmia and Masuria University in Olsztyn, Hevelius 1 Street, 10-957 Olsztyn (Poland); Michalak, Joanna [Chair of Instrumental Analysis, Warmia and Masuria University in Olsztyn, Hevelius 1 Street, 10-957 Olsztyn (Poland); Brandt, Waldemar [Institute of Dairy Science and Technology Development, Warmia and Masuria University in Olsztyn, Hevelius 1 Street, 10-957 Olsztyn (Poland)

    2004-04-14

    The effect of pressurization at different pressures (from 200 to 1000 MPa, at 200 MPa intervals, t{sub const.} = 15 min) and periods of time (from 15 to 35 min, at 10 min intervals, p{sub const.} = 800 MPa) on the changes of proteins and nitrogen compounds of skimmed milk was studied. The pressurization caused an increase in the amount of soluble casein and denaturation of whey proteins. The level of nonprotein nitrogen compounds and proteoso-peptone nitrogen compounds increased as a result of the high-pressure treatment. These changes increased with an increase in pressure and exposure time. High-pressure treatment considerably affected the changes in the conformation of milk proteins, which was reflected in the changes in the content of proteins sedimenting and an increase in their degree of hydration.

  15. Tolerance of budding yeast Saccharomyces cerevisiae to ultra high pressure

    Science.gov (United States)

    Shibata, M.; Torigoe, M.; Matsumoto, Y.; Yamamoto, M.; Takizawa, N.; Hada, Y.; Mori, Y.; Takarabe, K.; Ono, F.

    2014-05-01

    Our studies on the tolerance of plants and animals against very high pressure of several GPa have been extended to a smaller sized fungus, the budding yeast Saccharomyces cerevisiae. Several pieces of budding yeast (dry yeast) were sealed in a small teflon capsule with a liquid pressure medium fluorinate, and exposed to 7.5 GPa by using a cubic anvil press. The pressure was kept constant for various duration of time from 2 to 24 h. After the pressure was released, the specimens were brought out from the teflon capsule, and they were cultivated on a potato dextrose agar. It was found that the budding yeast exposed to 7.5 GPa for up to 6 h showed multiplication. However, those exposed to 7.5 GPa for longer than 12 h were found dead. The high pressure tolerance of budding yeast is a little weaker than that of tardigrades.

  16. High pressure extraction of phenolic compounds from citrus peels†

    Science.gov (United States)

    Casquete, R.; Castro, S. M.; Villalobos, M. C.; Serradilla, M. J.; Queirós, R. P.; Saraiva, J. A.; Córdoba, M. G.; Teixeira, P.

    2014-10-01

    This study evaluated the effect of high pressure processing on the recovery of high added value compounds from citrus peels. Overall, the total phenolic content in orange peel was significantly (P < .05) higher than that in lemon peel, except when pressure treated at 500 MPa. However, lemon peel demonstrated more antioxidant activity than orange peel. Pressure-treated samples (300 MPa, 10 min; 500 MPa, 3 min) demonstrated higher phenolic content and antioxidant activity comparatively to the control samples. For more severe treatments (500 MPa, 10 min), the phenolic content and antioxidant activity decreased in both lemon and orange peels. This paper was presented at the 8th International Conference on High Pressure Bioscience & Biotechnology (HPBB 2014), in Nantes (France), 15-18 July 2014.

  17. Chemical Vapor Deposition at High Pressure in a Microgravity Environment

    Science.gov (United States)

    McCall, Sonya; Bachmann, Klaus; LeSure, Stacie; Sukidi, Nkadi; Wang, Fuchao

    1999-01-01

    In this paper we present an evaluation of critical requirements of organometallic chemical vapor deposition (OMCVD) at elevated pressure for a channel flow reactor in a microgravity environment. The objective of using high pressure is to maintain single-phase surface composition for materials that have high thermal decomposition pressure at their optimum growth temperature. Access to microgravity is needed to maintain conditions of laminar flow, which is essential for process analysis. Based on ground based observations we present an optimized reactor design for OMCVD at high pressure and reduced gravity. Also, we discuss non-intrusive real-time optical monitoring of flow dynamics coupled to homogeneous gas phase reactions, transport and surface processes. While suborbital flights may suffice for studies of initial stages of heteroepitaxy experiments in space are essential for a complete evaluation of steady-state growth.

  18. High-pressure behavior of CaMo O4

    Science.gov (United States)

    Panchal, V.; Garg, N.; Poswal, H. K.; Errandonea, D.; Rodríguez-Hernández, P.; Muñoz, A.; Cavalli, E.

    2017-09-01

    We report a high-pressure study of tetragonal scheelite-type CaMo O4 up to 29 GPa. In order to characterize its high-pressure behavior, we have combined Raman and optical-absorption measurements with density functional theory calculations. We have found evidence of a pressure-induced phase transition near 15 GPa. Experiments and calculations agree in assigning the high-pressure phase to a monoclinic fergusonite-type structure. The reported results are consistent with previous powder x-ray-diffraction experiments, but are in contradiction with the conclusions obtained from earlier Raman measurements, which support the existence of more than one phase transition in the pressure range covered by our studies. The observed scheelite-fergusonite transition induces significant changes in the electronic band gap and phonon spectrum of CaMo O4 . We have determined the pressure evolution of the band gap for the low- and high-pressure phases as well as the frequencies and pressure dependencies of the Raman-active and infrared-active modes. In addition, based on calculations of the phonon dispersion of the scheelite phase, carried out at a pressure higher than the transition pressure, we propose a possible mechanism for the reported phase transition. Furthermore, from the calculations we determined the pressure dependence of the unit-cell parameters and atomic positions of the different phases and their room-temperature equations of state. These results are compared with previous experiments showing a very good agreement. Finally, information on bond compressibility is reported and correlated with the macroscopic compressibility of CaMo O4 . The reported results are of interest for the many technological applications of this oxide.

  19. Effect of High Pressure and Heat on Bacterial Toxins

    Directory of Open Access Journals (Sweden)

    Dirk Margosch

    2005-01-01

    Full Text Available Even though the inactivation of microorganisms by high pressure treatment is a subject of intense investigations, the effect of high pressure on bacterial toxins has not been studied so far. In this study, the influence of combined pressure/temperature treatment (0.1 to 800 MPa and 5 to 121 °C on bacterial enterotoxins was determined. Therefore, heat-stable enterotoxin (STa of cholera toxin (CT from Vibrio cholerae, staphylococcal enterotoxins A-E, haemolysin BL (HBL from Bacillus cereus, and Escherichia coli (STa were subjected to different treatment schemes. Structural alterations were monitored in enzyme immunoassays (EIAs. Cytotoxicity of the pressure treated supernatant of toxigenic B. cereus DSM 4384 was investigated with Vero cells. High pressure of 200 to 800 MPa at 5 °C leads to a slight increase of the reactivity of the STa of E. coli. However, reactivity decreased at 800 MPa and 80 °C to (66±21 % after 30 min and to (44±0.3 % after 128 min. At ambient pressure no decrease in EIA reactivity could be observed after 128 min. Pressurization (0.1 to 800 MPa of heat stable monomeric staphylococcal toxins at 5 and 20 °C showed no effect. A combined heat (80 °C and pressure (0.1 to 800 MPa treatment lead to a decrease in the immuno-reactivity to 20 % of its maximum. For cholera toxin a significant loss in latex agglutination was observable only at 80 °C and 800 MPa for holding times higher than 20 min. Interestingly, the immuno-reactivity of B. cereus HBL toxin increased with the increase of pressure (182 % at 800 MPa, 30 °C, and high pressure showed only minor effects on cytotoxicity to Vero cells. Our results indicate that pressurization can increase inactivation observed by heat treatment, and combined treatments may be effective at lower temperatures and/or shorter incubation time.

  20. Moessbauer Characterization of Rust Obtained in an Accelerated Corrosion Test

    Energy Technology Data Exchange (ETDEWEB)

    Garcia, K. E.; Morales, A. L.; Arroyave, C. E.; Barrero, C. A. [Universidad de Antioquia, Grupo de Corrosion y Proteccion, Departamento de Ingenieria de Materiales (Colombia); Cook, D. C. [Old Dominion University, Department of Physics (United States)

    2003-06-15

    We have performed drying-humectation cyclical processes (CEBELCOR) on eight A36 low carbon steel coupons in NaCl solutions containing 1x10{sup -2} M and 1x10{sup -1} M concentrations. The main purpose of these experiments is to contribute to the understanding of the conditions for akaganeite formation. Additionally, and with the idea to perform a complete characterization of the rust, this work also considers the formation of other iron oxide phases. The corrosion products were characterized by Moessbauer spectroscopy and X-ray diffraction techniques. Gravimetric analysis demonstrates that the coupons presented high corrosion rates. Magnetite/maghemite was common in the rust stuck to the steel surface, whereas akaganeite was present only in traces. In the rust collected from the solutions, i.e., the rust that goes away from the metal surface easily, a magnetite/maghemite was not present and akaganeite showed up in larger quantities. These results support the idea that high concentrations of Cl{sup -} ions are required for the akaganeite formation. We concluded that akaganeite is not easily bonded to the rust layer; this may lead to the formation of a less protective rust layer and to higher corrosion rates.

  1. {sub 119}Sn Moessbauer spectroscopy of tin containing float glass

    Energy Technology Data Exchange (ETDEWEB)

    Jung, Verena; Vadim, Ksenofontov; Felser, Claudia [Johannes Gutenberg - Universitaet, 55099 Mainz (Germany); Aigner, Maria Luisa; Pfeiffer, Thomas; Sprenger, Dirk [Schott AG, 55122 Mainz (Germany)

    2007-07-01

    According to the production process of float glasses tin is used as a common refining agent. Since the surface quality of the glass strongly depends on the local distribution of Sn-redox states, the influence of process parameters on Sn{sup 2+}/Sn{sup 4+} ratios and the assignment to their structural role in the glass network is extremely helpful. Therefore, glass compositions based on SiO{sub 2}-Al{sub 2}O{sub 3}-B{sub 2}O{sub 3}-CaO-SnO{sub 2} were molten with additions of 0,1, 0,3 and 0,5 wt% SnO{sub 2}. All samples were tempered for 7 days at 1400 C in N{sub 2} and N{sub 2}-air mixtures with controlled p{sub O2}-values of 10{sup -2} and 10{sup -5} bar, respectively. Hyperfine parameters for the tin nucleus in different structural units and their oxidation states were calculated from {sup 119}Sn Moessbauer spectra, using theoretical simulations of electron densities and electric field gradients with the Wien2k software. Finally, the thermochemical impact of oxygen on the structure of Sn-bearing glasses is discussed.

  2. New developments in high pressure x-ray spectroscopy beamline at High Pressure Collaborative Access Team.

    Science.gov (United States)

    Xiao, Y M; Chow, P; Boman, G; Bai, L G; Rod, E; Bommannavar, A; Kenney-Benson, C; Sinogeikin, S; Shen, G Y

    2015-07-01

    The 16 ID-D (Insertion Device - D station) beamline of the High Pressure Collaborative Access Team at the Advanced Photon Source is dedicated to high pressure research using X-ray spectroscopy techniques typically integrated with diamond anvil cells. The beamline provides X-rays of 4.5-37 keV, and current available techniques include X-ray emission spectroscopy, inelastic X-ray scattering, and nuclear resonant scattering. The recent developments include a canted undulator upgrade, 17-element analyzer array for inelastic X-ray scattering, and an emission spectrometer using a polycapillary half-lens. Recent development projects and future prospects are also discussed.

  3. Superconductivity from magnetic elements under high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Shimizu, Katsuya [KYOKUGEN, Research Center for Materials Science at Extreme Conditions, Osaka University, Osaka 560-8531 (Japan)]. E-mail: shimizu@rcem.osaka-u.ac.jp; Amaya, Kiichi [Toyota Physical and Chemical Research Institute, Aichi 480-1192 (Japan); Suzuki, Naoshi [Graduate School of Engineering Science, Osaka University, Osaka 560-8531 (Japan); Onuki, Yoshichika [Graduate School of Science, Osaka University, Osaka 560-0043 (Japan)

    2006-05-01

    Can we expect the appearance of superconductivity from magnetic elements? In general, superconductivity occurs in nonmagnetic metal at low temperature and magnetic impurities destroy superconductivity; magnetism and superconductivity are as incompatible as oil and water. Here, we present our experimental example of superconducting elements, iron and oxygen. They are magnetic at ambient pressure, however, they become nonmagnetic under high pressure, then superconductor at low temperature. What is the driving force of the superconductivity? Our understanding in the early stages was a simple scenario that the superconductive state was obtained as a consequence of an emergence of the nonmagnetic states. In both cases, we may consider another scenario for the appearance of superconductivity; the magnetic fluctuation mechanism in the same way as unconventional superconductors.

  4. Polymerization of Formic Acid under High Pressure

    Energy Technology Data Exchange (ETDEWEB)

    Goncharov, A F; Manaa, M R; Zaug, J M; Fried, L E; Montgomery, W B

    2004-08-23

    We report combined Raman, infrared (IR) and x-ray diffraction (XRD) measurements, along with ab initio calculations on formic acid under pressure up to 50 GPa. Contrary to the report of Allan and Clark (PRL 82, 3464 (1999)), we find an infinite chain low-temperature Pna2{sub 1} structure consisting of trans molecules to be a high-pressure phase at room temperature. Our data indicate the symmetrization and a partially covalent character of the intra-chain hydrogen bonds above approximately 20 GPa. Raman spectra and XRD patterns indicate a loss of the long-range order at pressures above 40 GPa with a large hysteresis at decompression. We attribute this behavior to a three-dimensional polymerization of formic acid.

  5. High-pressure structures of methane hydrate

    CERN Document Server

    Hirai, H; Fujihisa, H; Sakashita, M; Katoh, E; Aoki, K; Yamamoto, Y; Nagashima, K; Yagi, T

    2002-01-01

    Three high-pressure structures of methane hydrate, a hexagonal structure (str. A) and two orthorhombic structures (str. B and str. C), were found by in situ x-ray diffractometry and Raman spectroscopy. The well-known structure I (str. I) decomposed into str. A and fluid at 0.8 GPa. Str. A transformed into str. B at 1.6 GPa, and str. B further transformed into str. C at 2.1 GPa which survived above 7.8 GPa. The fluid solidified as ice VI at 1.4 GPa, and the ice VI transformed to ice VII at 2.1 GPa. The bulk moduli, K sub 0 , for str. I, str. A, and str. C were calculated to be 7.4, 9.8, and 25.0 GPa, respectively.

  6. Synthesis and stability of hydrogen selenide compounds at high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Pace, Edward J.; Binns, Jack; Alvarez, Miriam Pena; Dalladay-Simpson, Philip; Gregoryanz, Eugene; Howie, Ross T. (Edinburgh); (CHPSTAR- China)

    2017-11-14

    The observation of high-temperature superconductivity in hydride sulfide (H2S) at high pressures has generated considerable interest in compressed hydrogen-rich compounds. High-pressure hydrogen selenide (H2Se) has also been predicted to be superconducting at high temperatures; however, its behaviour and stability upon compression remains unknown. In this study, we synthesize H2Se in situ from elemental Se and molecular H2 at pressures of 0.4 GPa and temperatures of 473 K. On compression at 300 K, we observe the high-pressure solid phase sequence (I-I'-IV) of H2Se through Raman spectroscopy and x-ray diffraction measurements, before dissociation into its constituent elements. Through the compression of H2Se in H2 media, we also observe the formation of a host-guest structure, (H2Se)2H2, which is stable at the same conditions as H2Se, with respect to decomposition. These measurements show that the behaviour of H2Se is remarkably similar to that of H2S and provides further understanding of the hydrogen chalcogenides under pressure.

  7. 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.

  8. Reinvestigation of high pressure polymorphism in hafnium metal

    Energy Technology Data Exchange (ETDEWEB)

    Pandey, K. K., E-mail: kkpandey@barc.gov.in; Sharma, Surinder M. [High Pressure and Synchrotron Radiation Physics Division, Bhabha Atomic Research Centre, Mumbai-400 085 (India); Gyanchandani, Jyoti; Dey, G. K. [Materials Science Division, Bhabha Atomic Research Centre, Mumbai-400 085 (India); Somayazulu, M. [Geophysical Laboratory, Carnegie Institution of Washington, Washington, D.C. 20015 (United States); Sikka, S. K. [Indian National Science Academy, New Delhi-110 002 (India)

    2014-06-21

    There has been a recent controversy about the high pressure polymorphism of Hafnium (Hf). Unlike, the earlier known α→ω structural transition at 38 ± 8 GPa, at ambient temperature, Hrubiak et al. [J. Appl. Phys. 111, 112612 (2012)] did not observe it till 51 GPa. They observed this transition only at elevated temperatures. We have reinvestigated the room temperature phase diagram of Hf, employing x-ray diffraction (XRD) and DFT based first principles calculations. Experimental investigations have been carried out on several pure and impure Hf samples and also with different pressure transmitting media. Besides demonstrating the significant role of impurity levels on the high pressure phase diagram of Hf, our studies re-establish room temperature α→ω transition at high pressures, even in quasi-hydrostatic environment. We observed this transition in pure Hf with equilibrium transition pressure P{sub o} = 44.5 GPa; however, with large hysteresis. The structural sequence, transition pressures, the lattice parameters, the c/a ratio and its variation with compression for the α and ω phases as predicted by our ab-initio scalar relativistic (SR) calculations are found to be in good agreement with our experimental results of pure Hf.

  9. Universal LabVIEW-powered Moessbauer spectrometer based on USB, PCI or PXI devices

    Energy Technology Data Exchange (ETDEWEB)

    Pechousek, J; Prochazka, R; Jancik, D; Frydrych, J; Mashlan, M, E-mail: pechous@prfnw.upol.c [Centre for Nanomaterial Research, Palacky University, Slechtitelu 11, 783 71, Olomouc (Czech Republic)

    2010-03-01

    A new design of the universal Moessbauer spectrometer is presented. Hardware solution is based on commercial-available data acquisition devices working on the USB, PCI or PXI platform controlled by the main application running on the personal computer. Final application allows, in addition to Moessbauer spectra accumulation, the detailed analysis of the acquired detector signal in energy and time domains, and also to tune the velocity driving system separately. The experimental results show a high flexibility in various detectors and velocity transducers usage. It is easy to change the way of operation according to the different experimental requirements. This concept can be used with all common spectrometric benches with different velocity transducers, radioactive sources and gamma-ray detectors. This is a new approach in the Moessbauer spectrometer construction.

  10. Performance of new solid state {gamma}-detectors in {sup 57}Fe Moessbauer spectroscopy experiments

    Energy Technology Data Exchange (ETDEWEB)

    Dellmann, Til; Klauss, Hans-Henning [Institute of Solid State Physics, TU Dresden (Germany)

    2011-07-01

    Usually, proportional counter tubes are used in {sup 57}Fe Moessbauer spectroscopy for the detection of the 14.4 keV transition line. % and further signal processing. The recent developement of Si-based solid state detectors led to commercially available drift detectors (SDD) and high purity PiN diodes without the necessity of cooling with liquid nitrogen. First applications of SDD detectors in the analysis of minerals are already highly promising. In this talk, we present a detailed comparison between the three detector types and their use in Moessbauer spectroscopy using a standard absorber-source-combination (metallic iron with a 2.0 GBq {sup 57}Co/Rh source) in absorbtion geometry. Starting with the definition of a global efficiency function, which optimises the goodness of a Moessbauer spectrum and thus the required measurement time, we examined the influence of the intrinsic detector parameters on the global efficiency.

  11. Novel High Pressure Pump-on-a-Chip Technology Project

    Data.gov (United States)

    National Aeronautics and Space Administration — HJ Science & Technology, Inc. proposes to develop a novel high pressure "pump-on-a-chip" (HPPOC) technology capable of generating high pressure and flow rate on...

  12. Moessbauer absorption by thick ferromagnets in radio-frequency magnetic field

    CERN Document Server

    Dzyublik, A Y

    2002-01-01

    The dynamical scattering theory is developed for transmission of the Moessbauer radiation through a ferromagnetic absorber of arbitrary thickness whose magnetization periodically reverses under the influence of an external radio-frequency (RF) magnetic field. The thickness dependence of the Moessbauer absorption spectrum as well as the time dependence and energy distribution of the transmitted beam are analyzed. The transmitted spectrum as a function of the frequency of transmitted gamma-quanta, reveals a sideband structure separated by twice the frequency of the RF field, which collapses to a single line at high frequencies.

  13. The big and little of fifty years of Moessbauer spectroscopy at Argonne.

    Energy Technology Data Exchange (ETDEWEB)

    Westfall, C.

    2005-09-20

    Using radioactive materials obtained by chance, a turntable employing gears from Heidelberg's mechanical toy shops, and other minimal equipment available in post World War II Germany, in 1959 Rudolf Moessbauer confirmed his suspicion that his graduate research had yielded ground-breaking results. He published his conclusion: an atomic nucleus in a crystal undergoes negligible recoil when it emits a low energy gamma ray and provides the entire energy to the gamma ray. In the beginning Moessbauer's news might have been dismissed. As Argonne nuclear physicist Gilbert Perlow noted: ''Everybody knew that nuclei were supposed to recoil when emitting gamma rays--people made those measurements every day''. If any such effect existed, why had no one noticed it before? The notion that some nuclei would not recoil was ''completely crazy'', in the words of the eminent University of Illinois condensed matter physicist Frederich Seitz. Intrigued, however, nuclear physicists as well as condensed matter (or solid state) physicists in various locations--but particularly at the Atomic Energy Research Establishment at Harwell in Britain and at Argonne and Los Alamos in the U.S.--found themselves pondering the Moessbauer spectra with its nuclear and solid state properties starting in late 1959. After an exciting year during which Moessbauer's ideas were confirmed and extended, the physics community concluded that Moessbauer was right. Moessbauer won the Nobel Prize for his work in 1961. In the 1960s and 1970s Argonne physicists produced an increasingly clear picture of the properties of matter using the spectroscopy ushered in by Moessbauer. The scale of this traditional Moessbauer spectroscopy, which required a radioactive source and other simple equipment, began quite modestly by Argonne standards. For example Argonne hosted traditional Moessbauer spectroscopy research using mostly existing equipment in the early days and

  14. Moessbauer and infrared spectroscopy as a diagnostic tool for the characterization of ferric tannates

    Energy Technology Data Exchange (ETDEWEB)

    Jaen, Juan A., E-mail: jjaen@ancon.up.ac.p [Universidad de Panama, Depto. de Quimica Fisica, CITEN, Lab. No. 105, Edificio de Laboratorios Cientificos-VIP (Panama); Navarro, Cesar [Universidad de Panama, Escuela de Quimica, Facultad de Ciencias Naturales, Exactas y Tecnologia (Panama)

    2009-07-15

    Fourier transform infrared spectroscopy and Moessbauer spectroscopy are use for the characterization and qualitative analysis of hydrolysable and condensed tannates. The two classes of tannates may be differentiated from the characteristic IR pattern. Moessbauer proof that a mixture of mono- and bis-type ferric tannate complexes, and an iron(II)-tannin complex are obtained from the interaction of hydrolysable tannins (tannic acid and chestnut tannin) and condensed tannins (mimosa and quebracho) with a ferric nitrate solution. At pH 7, a partially hydrolyzed ferric tannate complex was also obtained.

  15. Comparative study on the high pressure inactivation behavior of the Shiga toxin-producing Escherichia coli O104:H4 and O157:H7 outbreak strains and a non-pathogenic surrogate.

    Science.gov (United States)

    Reineke, Kai; Sevenich, Robert; Hertwig, Christian; Janßen, Traute; Fröhling, Antje; Knorr, Dietrich; Wieler, Lothar H; Schlüter, Oliver

    2015-04-01

    Enterohemorrhagic Escherichia coli strains cause each year thousands of illnesses, which are sometimes accompanied by the hemolytic uremic syndrome, like in the 2011 outbreak in Germany. For preservation thermal pasteurization is commonly used, which can cause unwanted quality changes. To prevent this high pressure treatment is a potential alternative. Within this study, the 2011 outbreak strain O104:H4, an O157:H7 and a non-pathogenic strain (DSM1116) were tested. The cells were treated in buffer (pH 7 and pH 5) and carrot juice (pH 5.1) in a pressure temperature range of 0.1-500 MPa and 20-70 °C. Flow cytometry was used to investigate the pressure impact on cell structures of the strain DSM1116. Both pathogenic strains had a much higher resistance in buffer and carrot juice than the non-pathogenic surrogate. Further, strains cultivated and treated at a lower pH-value showed higher pressure stability, presumably due to variations in the membrane composition. This was confirmed for the strain DSM1116 by flow cytometry. Cells cultivated and treated at pH 5 had a stronger ability to retain their membrane potential but showed higher rates of membrane permeabilization at pressures <200 MPa compared to cells cultivated and treated at pH 7. These cells had the lowest membrane permeabilization rate at around 125 MPa, possibly denoting that variations in the fatty acid composition and membrane fluidity contribute to this stabilization phenomenon. Copyright © 2014 Elsevier Ltd. All rights reserved.

  16. High-pressure stability and compressibility of APO[subscript 4] (A=La, Nd, Eu, Gd, Er, and Y) orthophosphates: An x-ray diffraction study using synchrotron radiation

    Energy Technology Data Exchange (ETDEWEB)

    Lacomba-Perales, R.; Errandonea, D.; Meng, Y.; Bettinelli, M. (Verona); (Valencia); (CIW)

    2010-03-16

    Room-temperature angle-dispersive x-ray diffraction measurements on zircon-type YPO{sub 4} and ErPO{sub 4}, and monazite-type GdPO{sub 4}, EuPO{sub 4}, NdPO{sub 4}, and LaPO{sub 4} were performed in a diamond-anvil cell up to 30 GPa using neon as pressure-transmitting medium. In the zircon-structured oxides we found evidence of a reversible pressure-induced structural phase transformation from zircon to a monazite-type structure. The onset of the transition is at 19.7 GPa in YPO{sub 4} and 17.3 GPa in ErPO{sub 4}. In LaPO{sub 4} a nonreversible transition is found at 26.1 GPa and a barite-type structure is proposed for the high-pressure phase. For the other three monazites studied, their structures were found to be stable up to 30 GPa. Evidence for additional phase transitions or chemical decomposition of the materials was not found in the experiments. The equations of state and axial compressibility for the different phases are also determined. In particular, we found that in a given compound the monazite structure is less compressible than the zircon structure. This fact is attributed to the higher packing efficiency of monazite versus zircon. The differential bond compressibility of different polyhedra is also reported and related to the anisotropic compressibility of both structures. Finally, the sequence of structural transitions and compressibilities are discussed in comparison with other orthophosphates.

  17. X-ray quantum optics with Moessbauer nuclei in thin-film cavities

    Energy Technology Data Exchange (ETDEWEB)

    Heeg, Kilian Peter

    2014-12-09

    In this thesis thin-film cavities with embedded Moessbauer nuclei probed by near-resonant X-ray light are studied from a quantum optical perspective. A theoretical framework is developed and compact expressions for the observables are derived for the linear excitation regime, which is encountered in current experiments. Even advanced cavity layouts can be modeled in excellent agreement with the results of previous experiments and semi-classical approaches. In the absence of magnetic hyperfine splitting, the spectral response of the system is found to be formed by tunable Fano profiles. An experimental implementation of this line shape control allows to extract spectroscopic signatures with high precision and to reconstruct the phase of the nuclear transition in good agreement with the theoretical predictions. The alignment of medium magnetization and polarization control of the X-rays enable to engineer advanced quantum optical level schemes, in which vacuum induced coherence effects are predicted and successfully demonstrated in an experiment. Furthermore, it is shown that group velocity control for x-ray pulses can be achieved in the cavity. A scheme for its observation is proposed and then employed to experimentally confirm sub-luminal X-ray propagation. Finally, non-linear effects, which could become accessible with future light sources, are explored and a non-linear line shape control mechanism is discussed.

  18. Engineering Model of High Pressure Moist Air

    Directory of Open Access Journals (Sweden)

    Hyhlík Tomáš

    2017-01-01

    Full Text Available The article deals with the moist air equation of state. There are equations of state discussed in the article, i.e. the model of an ideal mixture of ideal gases, the model of an ideal mixture of real gases and the model based on the virial equation of state. The evaluation of sound speed based on the ideal mixture concept is mentioned. The sound speed calculated by the model of an ideal mixture of ideal gases is compared with the sound speed calculated by using the model based on the concept of an ideal mixture of real gases. The comparison of enthalpy end entropy based on the model of an ideal mixture of ideal gases and the model of an ideal mixture of real gases is performed. It is shown that the model of an ideal mixture of real gases deviates from the model of an ideal mixture of ideal gases only in the case of high pressure. An impossibility of the definition of partial pressure in the mixture of real gases is discussed, where the virial equation of state is used.

  19. High-pressure structures of yttrium hydrides

    Science.gov (United States)

    Liu, Lu-Lu; Sun, Hui-Juan; Wang, C. Z.; Lu, Wen-Cai

    2017-08-01

    In this work, the crystal structures of YH3 and YH4 at high pressure (100-250 GPa) have been explored using a genetic algorithm combined with first-principles calculations. New structures of YH3 with space group symmetries of P21/m and I4/mmm were predicted. The electronic structures and the phonon dispersion properties of various YH3 and YH4 structures at different temperatures and pressures were investigated. Among YH3 phases, the P21/m structure of YH3 was found to have a relatively high superconducting transformation temperature T c of 19 K at 120 GPa, which is reduced to 9 K at 200 GPa. Other YH3 structures have much lower T cs. Compared with YH3, the T c of the YH4 compound is much higher, i.e. 94 K at 120 GPa and 55 K at 200 GPa.

  20. Equilibria of oligomeric proteins under high pressure - A theoretical description.

    Science.gov (United States)

    Ingr, Marek; Kutálková, Eva; Hrnčiřík, Josef; Lange, Reinhard

    2016-12-21

    High pressure methods have become a useful tool for studying protein structure and stability. Using them, various physico-chemical processes including protein unfolding, aggregation, oligomer dissociation or enzyme-activity decrease were studied on many different proteins. Oligomeric protein dissociation is a process that can perfectly utilize the potential of high-pressure techniques, as the high pressure shifts the equilibria to higher concentrations making them better observable by spectroscopic methods. This can be especially useful when the oligomeric form is highly stable at atmospheric pressure. These applications may be, however, hindered by less intensive experimental response as well as interference of the oligomerization equilibria with unfolding or aggregation of the subunits, but also by more complex theoretical description. In this study we develop mathematical models describing different kinds of oligomerization equilibria, both closed (equilibrium of monomer and the highest possible oligomer without any intermediates) and consecutive. Closed homooligomer equilibria are discussed for any oligomerization degree, while the more complex heterooligomer equilibria and the consecutive equilibria in both homo- and heterooligomers are taken into account only for dimers and trimers. In all the cases, fractions of all the relevant forms are evaluated as functions of pressure and concentration. Significant points (inflection points and extremes) of the resulting transition curves, that can be determined experimentally, are evaluated as functions of pressure and/or concentration. These functions can be further used in order to evaluate the thermodynamic parameters of the system, i.e. atmospheric-pressure equilibrium constants and volume changes of the individual steps of the oligomer-dissociation processes. Copyright © 2016 Elsevier Ltd. All rights reserved.

  1. Primary obstructive megaureter: the role of high pressure balloon dilation.

    Science.gov (United States)

    Romero, Rosa M; Angulo, Jose Maria; Parente, Alberto; Rivas, Susana; Tardáguila, Ana Rosa

    2014-05-01

    There is a growing interest in minimally invasive treatment of primary obstructive megaureter (POM) in children. The absence of long-term follow-up data, however, makes it difficult to establish the indication for an endoscopic approach. The aim of our study is to determine the long-term efficacy of endourologic high-pressure balloon dilation of the vesicoureteral junction (VUJ) in children with POM that necessitates surgical treatment. We retrospectively reviewed the clinical records from children with POM who were treated with endourologic high-pressure balloon dilation of the VUJ from March 2003 to April 2010. To determine the long-term, a cohort study was conducted in November 2011. Endourologic dilation of the VUJ was performed with a semicompliant high-pressure balloon (2.7 FG) with a minimum balloon size of 3 mm, followed by placement of a Double-J stent. We have treated 29 (32 renal units, left [n=16], right [n=10] and bilateral [n=3]) children with a diagnosis of POM within this period. The median age at the time of the endourologic treatment was 4.04 months (range 1.6-39 months). In three cases, an open ureteral reimplantation was needed, in two cases because of intraoperative technical failure and postoperative Double-J stent migration in one patient. The 26 children (29 renal units) who had a successful endourologic dilation of the VUJ were followed with ultrasonography and MAG-3-Lasix (furosemide) studies that showed a progressive improvement of both the ureterohydronephrosis and drainage in the first 18 months in 20 patients (23 renal units) (69%). In two patients who were treated with a 3 mm balloon, a further dilation was needed, with an excellent outcome. The cohort study (at a median follow-up of 47 months) showed that in all patients who had a good outcome at the 18-month follow-up after endourologic balloon dilation remained asymptomatic with resolution of ureterohydronephrosis on the US and good drainage on the renogram, in the children

  2. Lycopene degradation, isomerization and in vitro bioaccessibility in high pressure homogenized tomato puree containing oil: effect of additional thermal and high pressure processing.

    Science.gov (United States)

    Knockaert, Griet; Pulissery, Sudheer K; Colle, Ines; Van Buggenhout, Sandy; Hendrickx, Marc; Loey, Ann Van

    2012-12-01

    In the present study, the effect of equivalent thermal and high pressure processes at pasteurization and sterilization intensities on some health related properties of high pressure homogenized tomato puree containing oil were investigated. Total lycopene concentration, cis-lycopene content and in vitro lycopene bioaccessibility were examined as health related properties. Results showed that pasteurization hardly affected the health related properties of tomato puree. Only the formation of cis-lycopene during intense thermal pasteurization was observed. Sterilization processes on the other hand had a significant effect on the health related properties. A significant decrease in total lycopene concentration was found after the sterilization processes. Next to degradation, significant isomerization was also observed: all-trans-lycopene was mainly converted to 9-cis- and 13-cis-lycopene. High pressure sterilization limited the overall lycopene isomerization, when compared to the equivalent thermal sterilization processes. The formation of 5-cis-lycopene on the other hand seemed to be favoured by high pressure. The in vitro lycopene bioaccessibility of high pressure homogenized tomato puree containing oil was decreased during subsequent thermal or high pressure processing, whereby significant changes were observed for all the sterilization processes. Copyright © 2012 Elsevier Ltd. All rights reserved.

  3. High Pressure Microwave Powered UV Light Sources

    Science.gov (United States)

    Cekic, M.; Frank, J. D.; Popovic, S.; Wood, C. H.

    1997-10-01

    Industrial microwave powered (*electrodeless*) light sources have been limited to quiescent pressures of 300 Torr of buffer gas and metal- halide fills. Recently developed multi-atmospheric electronegative bu lb fills (noble gas-halide excimers, metal halide) require electric field s for ionization that are often large multiples of the breakdown voltage for air. For these fills an auxiliary ignition system is necessary. The most successful scheme utilizes a high voltage pulse power supply and a novel field emission source. Acting together they create localized condition of pressure reduction and high free electron density. This allows the normal microwave fields to drive this small region into avalanche, ignite the bulb, and heat the plasma to it's operating poin t Standard diagnostic techniques of high density discharges are inapplicable to the excimer bulbs, because of the ionic molecular exci ted state structure and absence of self-absorption. The method for temperature determination is based on the equilibrium population of certain vibrational levels of excimer ionic excited states. Electron d ensity was determined from the measurements of Stark profiles of H_β radiation from a small amount of hydrogen mixed with noble gas and halogens. At the present time, high pressure (Te 0.5eV, ne 3 x 10^17 cm-3) production bulbs produce over 900W of radiation in a 30nm band, centered at 30nm. Similarly, these prototypes when loaded with metal-halide bulb fills produce 1 kW of radiation in 30nm wide bands, centered about the wavelength of interest.

  4. Piston cylinder cell for high pressure ultrasonic pulse echo measurements

    Energy Technology Data Exchange (ETDEWEB)

    Kepa, M. W., E-mail: mkepa@staffmail.ed.ac.uk; Huxley, A. D. [SUPA, Centre for Science at Extreme Conditions and School of Physics and Astronomy, University of Edinburgh, Edinburgh EH9 3JZ (United Kingdom); Ridley, C. J.; Kamenev, K. V. [Centre for Science at Extreme Conditions and School of Engineering, University of Edinburgh, Edinburgh EH9 3FD (United Kingdom)

    2016-08-15

    Ultrasonic techniques such as pulse echo, vibrating reed, or resonant ultrasound spectroscopy are powerful probes not only for studying elasticity but also for investigating electronic and magnetic properties. Here, we report on the design of a high pressure ultrasonic pulse echo apparatus, based on a piston cylinder cell, with a simplified electronic setup that operates with a single coaxial cable and requires sample lengths of mm only. The design allows simultaneous measurements of ultrasonic velocities and attenuation coefficients up to a pressure of 1.5 GPa. We illustrate the performance of the cell by probing the phase diagram of a single crystal of the ferromagnetic superconductor UGe{sub 2}.

  5. High pressure melting curves of silver, gold and copper

    Directory of Open Access Journals (Sweden)

    Ho Khac Hieu

    2013-11-01

    Full Text Available In this work, based on the Lindemann's formula of melting and the pressure-dependent Grüneisen parameter, we have investigated the pressure effect on melting temperature of silver, gold and copper metals. The analytical expression of melting temperature as a function of volume compression has been derived. Our results are compared with available experimental data as well as with previous theoretical studies and the good and reasonable agreements are found. We also proposed the potential of this approach on predicting melting of copper at very high pressure.

  6. High pressure melting curves of silver, gold and copper

    Energy Technology Data Exchange (ETDEWEB)

    Hieu, Ho Khac, E-mail: hieuhk@duytan.edu.vn [Research and Development Center for Science and Technology, Duy Tan University, K7/25 Quang Trung, Danang (Viet Nam); Ha, Nguyen Ngoc [VNU-Hanoi University of Science, 334 Nguyen Trai, Hanoi (Viet Nam)

    2013-11-15

    In this work, based on the Lindemann's formula of melting and the pressure-dependent Grüneisen parameter, we have investigated the pressure effect on melting temperature of silver, gold and copper metals. The analytical expression of melting temperature as a function of volume compression has been derived. Our results are compared with available experimental data as well as with previous theoretical studies and the good and reasonable agreements are found. We also proposed the potential of this approach on predicting melting of copper at very high pressure.

  7. High-pressure-high-temperature treatment of natural diamonds

    CERN Document Server

    Royen, J V

    2002-01-01

    The results are reported of high-pressure-high-temperature (HPHT) treatment experiments on natural diamonds of different origins and with different impurity contents. The diamonds are annealed in a temperature range up to 2000 sup o C at stabilizing pressures up to 7 GPa. The evolution is studied of different defects in the diamond crystal lattice. The influence of substitutional nitrogen atoms, plastic deformation and the combination of these is discussed. Diamonds are characterized at room and liquid nitrogen temperature using UV-visible spectrophotometry, Fourier transform infrared spectrophotometry and photoluminescence spectrometry. The economic implications of diamond HPHT treatments are discussed.

  8. A comparative study of 1,3,5-Trinitroperhydro-1,3,5-triazine (RDX) and Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) under high pressures using Raman spectroscopy and DFT calculations

    Science.gov (United States)

    Zeng, Yangyang; Song, Yunfei; Yu, Guoyang; Zheng, Xianxu; Guo, Wencan; Zhao, Jun; Yang, Yanqiang

    2016-09-01

    High pressure Raman experiment was performed to compare RDX and HMX crystals. Ab initio calculations using B3LYP Density Functional Theory method with Sadlej's medium-sized polarized basis set (SadlejpVTZ) were carried out for Caae RDX and 1,5-diaxial-3,7-diequatorial chair HMX molecules. Our calculations and measured Raman vibrational spectra reveal both molecules have similarities on bonding and vibrational properties at ambient pressure. However, high pressure responses for both molecules aren't the same. For RDX, at pressure near 4 GPa, a number of changes become apparent in the Raman spectra, such as modes splitting, intensity modification, and discontinuity of pressure-dependence of frequency shifts, which are consistent with previous experiment and believed to associate with α-γ phase transition. For HMX, only slight conformational deformation involving NO2 group was observed, and was considered as an onset of β-ε phase transition. It is proposed that the markedly different behavior under high pressure for these two molecules results from different molecular packing in unit cell.

  9. Magnetic structures of vanadium iodide (VI2): long- and short-range order and Moessbauer spectroscopy.

    NARCIS (Netherlands)

    Kuindersma, S. R.; Sanchez, J. P.; Haas, C.

    1980-01-01

    Neutron diffraction data of VI2 show a magnetic phase transition at 14 K from a 120° magnetic structure to a collinear structure. The collinear structure is compatible with low-temp. Moessbauer spectra. The 120° structure is not a magnetic phase with long-range order but rather a paramagnetic phase

  10. International conference on Moessbauer effect applications. Alma-Ata, 26 September-1 October 1983

    Energy Technology Data Exchange (ETDEWEB)

    Zemcik, T. (Ceskoslovenska Akademie Ved, Brno. Ustav Fyzikalni Metalurgie)

    1984-12-01

    The participants heard 15 papers and 25 brief communications, the other papers were presented on posters. Most papers were devoted to the application of the Moessbauer effect (metals and alloys, magnetic and amorphous materials, etc.). Some papers dealt with methodology, and greatest interest was aroused by papers from marginal disciplines (e.g., on pulse reversal of the magnetic memory of bacteria).

  11. LACAME 2006: Latin American conference on the applications of the Moessbauer effects. Program and Abstract Book

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2006-07-01

    Theoretical and experimental papers are present in these proceedings on the following subjects: Moessbauer effects and spectroscopy, minerals, structural chemical analysis, crustal structure, ion oxides, hyperfine structure, geology, catalysts, transmission and absorption spectroscopies, materials, crystal and hyperfine structures, stereochemistry and geological materials.

  12. High-pressure behavior of methylammonium lead iodide (MAPbI{sub 3}) hybrid perovskite

    Energy Technology Data Exchange (ETDEWEB)

    Capitani, Francesco [Synchrotron SOLEIL, L' Orme des Merisiers, Saint-Aubin, 91192 Gif-sur-Yvette (France); Marini, Carlo [CELLS-ALBA, Carretera B.P. 1413, Cerdanyola del Valles 08290 (Spain); Caramazza, Simone; Postorino, Paolo [Department of Physics, University “Sapienza,” Rome (Italy); Garbarino, Gaston; Hanfland, Michael [European Synchrotron Radiation Facility, Grenoble Cedex (France); Pisanu, Ambra; Quadrelli, Paolo; Malavasi, Lorenzo, E-mail: lorenzo.malavasi@unipv.it [Department of Chemistry and INSTM, University of Pavia, Pavia (Italy)

    2016-05-14

    In this paper we provide an accurate high-pressure structural and optical study of the MAPbI{sub 3} hybrid perovskite. Structural data show the presence of a phase transition toward an orthorhombic structure around 0.3 GPa followed by full amorphization of the system above 3 GPa. After releasing the pressure, the system keeps the high-pressure orthorhombic phase. The occurrence of these structural transitions is further confirmed by pressure induced variations of the photoluminescence signal at high pressure. These variations clearly indicate that the bandgap value and the electronic structure of MAPI change across the phase transition.

  13. Nanocomposite Thermolectric Materials by High Pressure Powder Consolidation Manufacturing Project

    Data.gov (United States)

    National Aeronautics and Space Administration — In response to NASA's need to develop advanced nanostructured thermolectric materials, UTRON is proposing an innovative high pressure powder consolidation...

  14. High Pressure Angle Gears: Comparison to Typical Gear Designs

    Science.gov (United States)

    Handschuh, Robert F.; Zabrajsek, Andrew J.

    2010-01-01

    A preliminary study has been completed to determine the feasibility of using high-pressure angle gears in aeronautic and space applications. Tests were conducted in the NASA Glenn Research Center (GRC) Spur Gear Test Facility at speeds up to 10,000 rpm and 73 N*m (648 in.*lb) for 3.18, 2.12, and 1.59 module gears (8, 12, and 16 diametral pitch gears), all designed to operate in the same test facility. The 3.18 module (8-diametral pitch), 28 tooth, 20deg pressure angle gears are the GRC baseline test specimen. Also, 2.12 module (12-diametral pitch), 42 tooth, 25deg pressure angle gears were tested. Finally 1.59 module (16-diametral pitch), 56 tooth, 35deg pressure angle gears were tested. The high-pressure angle gears were the most efficient when operated in the high-speed aerospace mode (10,000 rpm, lubricated with a synthetic turbine engine oil), and produced the lowest wear rates when tested with a perfluoroether-based grease. The grease tests were conducted at 150 rpm and 71 N*m (630 in.*lb).

  15. Thermal and high pressure inactivation kinetics of blueberry peroxidase.

    Science.gov (United States)

    Terefe, Netsanet Shiferaw; Delon, Antoine; Versteeg, Cornelis

    2017-10-01

    This study for the first time investigated the stability and inactivation kinetics of blueberry peroxidase in model systems (McIlvaine buffer, pH=3.6, the typical pH of blueberry juice) during thermal (40-80°C) and combined high pressure-thermal processing (0.1-690MPa, 30-90°C). At 70-80°C, the thermal inactivation kinetics was best described by a biphasic model with ∼61% labile and ∼39% stable fractions at temperature between 70 and 75°C. High pressure inhibited the inactivation of the enzyme with no inactivation at pressures as high as 690MPa and temperatures less than 50°C. The inactivation kinetics of the enzyme at 60-70°C, and pressures higher than 500MPa was best described by a first order biphasic model with ∼25% labile fraction and 75% stable fraction. The activation energy values at atmospheric pressure were 548.6kJ/mol and 324.5kJ/mol respectively for the stable and the labile fractions. Crown Copyright © 2017. Published by Elsevier Ltd. All rights reserved.

  16. Investigating cavity pressure behavior in high-pressure RTM process variants

    Science.gov (United States)

    Rosenberg, P.; Chaudhari, R.; Karcher, M.; Henning, F.; Elsner, P.

    2014-05-01

    The paper addresses new variants of the high pressure resin transfer molding (HP-RTM) process namely high pressure injection RTM (HP-IRTM) and high pressure compression RTM (HP-CRTM) for manufacturing of carbon fiber reinforced composites with high fiber volume content. Both these processes utilize high-pressure RTM equipment for precise dosing and mixing of highly reactive epoxy resin and amine hardener with relatively high throughput rates. The paper addresses results of a study which investigated cavity pressure measurement for both the HP-RTM process variants using a specially designed highpressure RTM mold. The investigations indicate that the cavity pressure built up is a characteristic of the selected process variant. Further the relationship between the applied press force and the cavity pressure in HP-CRTM process was studied.

  17. On the electronic phase diagram of Ba{sub 1-x}K{sub x}(Fe{sub 1-y}Co{sub y}){sub 2}As{sub 2} and EuFe{sub 2}(As{sub 1-x}P{sub x}){sub 2} superconductors. A local probe study using Moessbauer spectroscopy and muon spin relaxation

    Energy Technology Data Exchange (ETDEWEB)

    Goltz, Til

    2015-10-28

    In this thesis, I study the electronic and structural phase diagrams of the superconducting 122 iron pnictides systems Ba{sub 1-x}K{sub x}(Fe{sub 1-y}Co{sub y}){sub 2}As{sub 2} and EuFe{sub 2}(As{sub 1-x}P{sub x}){sub 2} by means of the local probe techniques {sup 57}Fe Moessbauer spectroscopy (MS) and muon spin relaxation (μSR). For both isovalent substitution strategies - Co/K for Fe/Ba and P for As, respectively - the antiferromagnetic Fe ordering and orthorhombic distortion of the parent compounds BaFe{sub 2}As{sub 2} and EuFe{sub 2}As{sub 2} are subsequently suppressed with increasing chemical substitution and superconductivity arises, once long-range and coherent Fe magnetic order is sufficiently but not entirely suppressed. For Ba{sub 1-x}K{sub x}(Fe{sub 1-y}Co{sub y}){sub 2}As{sub 2} in the charge compensated state (x/2 ∼ y), a remarkably similar suppression of both, the orthorhombic distortion and Fe magnetic ordering, as a function of increasing substitution is observed and a linear relationship between the structural and the magnetic order parameter is found. Superconductivity is evidenced at intermediate substitution with a maximum T{sub SC} of 15 K coexisting with static magnetic order on a microscopic length scale. The appearance of superconductivity within the antiferromagnetic state can by explained by the introduction of disorder due to nonmagnetic impurities to a system with a constant charge carrier density. Within this model, the experimental findings are compatible with the predicted s{sup ±} pairing symmetry. For EuFe{sub 2}(As{sub 1-x}P{sub x}){sub 2}, the results from {sup 57}Fe MS and ZF-μSR reveal an intriguing interplay of the local Eu{sup 2+} magnetic moments and the itinerant magnetic Fe moments due to the competing structures of the iron and europium magnetic subsystems. For the investigated single crystals with x = 0.19 and 0.28, {sup 57}Fe MS evidences the interplay of Fe and Eu magnetism by the observation of a transferred

  18. Hematite at Meridiani Planum and Gusev Crater as identified by the Moessbauer Spectrometer MIMOS II

    Science.gov (United States)

    Klingelhoefer, G.; Morris, R. V.; Rodionov, D.; Schroeder, C.; de Souza, P. A.; Yen, A.; Renz, F.; Wdowiak, T.

    2006-01-01

    The Moessbauer (MB) spectrometers on the MER rovers Opportunity and Spirit, which landed on Mars in January 2004, have identified the iron-containing mineral hematite (a-Fe2O3) at both landing sites. On Earth, hematite can occur either by itself or with other iron oxides as massive deposits, in veins , and as particles dispersed through a silicate or other matrix material. Hematite particle size can range from nanophase (superparamagnetic) to multidomain and particle shape ranges from equant to acicular to platy. Fine-grained hematite is red in color and is a pigmenting agent. Coarse-grained hematite can be spectrally neutral (gray) at visible wavelengths. Substitutional impurities, particularly Al, are common in hematite. Chemically pure, coarse-grained, and well-crystalline hematite has a magnetic transition (the Morin transition) at 260 K. Moessbauer spectra, recorded as a function of temperature, provide a way to characterize Martian hematite with respect to some of the physical and chemical characteristics. At Meridiani Planum besides the iron-sulfate mineral jarosite also the Fe-oxide hematite has been identified by the Moessbauer spectrometer, mainly in three distinct types of reservoir: - outcrop matrix material dominated by the mineral jarosite in the MB spectrum, certain basaltic soils, and mm-sized spherules dubbed blueberries. Moessbauer spectra of each reservoir yield a distinct set of hyperfine parameters for hematite, suggesting different degrees of crystallinity and particle size. The hematite found by MB instrument MIMOS II in the outcrop material shows the Morin transition at relatively high temperatures (ca. 250 K) which is an indication of pure and well-crystallized hematite. The source of the hematite in the Blueberries as identified by Moessbauer spectroscopy, and also by MiniTES, is not known. These spherules, covering nearly the whole landing site area (Eagle crater, plains, Endurance crater), may be concretions formed in the outcrop

  19. Effects of high-pressure processing (HPP) on the microbiological ...

    African Journals Online (AJOL)

    STORAGESEVER

    2009-12-29

    Dec 29, 2009 ... High pressure processing (HPP) is an increasingly popular food processing method that offers great potential within the food industry. ... Key words: High pressure processing, fresh cheese, dairy, spoilage. INTRODUCTION. Food ..... chemical reactions and genetic mechanisms. Primarily,. HP treatment ...

  20. Quantum effects in condensed matter at high pressure

    CERN Document Server

    Stishov, S M

    2001-01-01

    Experimental data on the influence of quantum effects on the equation of state and melting at high pressure are reviewed. It is shown that quantum isotopic effects tend to increase upon compression of substances with predominately Coulomb interaction, whereas compression of the van der Waals substances reveals the opposite trend. The cold melting of Coulomb substances at high pressure is discussed

  1. Novel stable structure of Li3PS4 predicted by evolutionary algorithm under high-pressure

    Directory of Open Access Journals (Sweden)

    S. Iikubo

    2018-01-01

    Full Text Available By combining theoretical predictions and in-situ X-ray diffraction under high pressure, we found a novel stable crystal structure of Li3PS4 under high pressures. At ambient pressure, Li3PS4 shows successive structural transitions from γ-type to β-type and from β-type to α type with increasing temperature, as is well established. In this study, an evolutionary algorithm successfully predicted the γ-type crystal structure at ambient pressure and further predicted a possible stable δ-type crystal structures under high pressure. The stability of the obtained structures is examined in terms of both static and dynamic stability by first-principles calculations. In situ X-ray diffraction using a synchrotron radiation revealed that the high-pressure phase is the predicted δ-Li3PS4 phase.

  2. {sup 57}Fe Moessbauer and X-ray characterisation of sandstones

    Energy Technology Data Exchange (ETDEWEB)

    Mulaba-Bafubiandi, A. F. [University of Johannesburg, Mineral Processing and Technology Research Centre, Department of Metallurgy, School of Mining, Metallurgy and Chemical Engineering, Faculty of Engineering and The Built Environment (South Africa); Waanders, F. B., E-mail: frans.waanders@nwu.ac.za [North West University, School of Chemical and Minerals Engineering (South Africa)

    2013-04-15

    Sandstones from the Free State province in South Africa have been mined and processed mainly by small scale and artisanal miners in the rural areas. In the present investigation basic fire proof and water absorption tests, X-ray and {gamma}-ray based characterisation techniques were used to study the sandstones. The collected samples were grouped according to their apparent colour in day light conditions and the elemental analysis showed the presence of a high amount of oxygen (>52%) and silicon (>38%) with Mn, Al, Fe and Ca as major elements in proportions related to the colour distribution of the various sandstones. The uniaxial compressive stress was found to be the highest (56 MPa) for the greyish sandstone and the lowest (8 MPa) for the white sandstone sample, also associated with the lowest (Al+Fe)/Si value of 0.082. The humidity test showed that the 6 % water absorption was lower than the recommended ASTM value of 8 %. The sandstone samples were also subjected to various high temperatures to simulate possible fire conditions and it was found that the non alteration of the mineral species might be one of the reasons why the sandstones are regarded as the most refractory amongst the building materials typically used. Moessbauer spectroscopy revealed that iron is present in all the sandstones, mainly as Fe{sup 3 + } with the black sandstone showing an additional presence of 3 % Fe{sup 2 + } indicating that a higher iron content coupled to higher silicon content, contributes to an increase in the uniaxial compressive strength.

  3. Linear ruby scale and one megabar. [high pressure fluorescence

    Science.gov (United States)

    Ruoff, A. L.

    1979-01-01

    The accuracy and validity of certain techniques used in studying high-pressure transitions have been investigated. Experiments which place upper limits of about 20 GPa and about 50 GPa on pressures practically attainable using uniaxial supported opposed anvil devices with tungsten carbide pistons and uniaxial opposed flat anvil diamond devices, respectively, are reported. Direct static determinations of the transition pressures of GaP by two different methods are described. The values obtained indicate that the linear ruby scale increasingly overestimates the transition pressure as the pressure rises above 10 GPa. It is further shown that the use of shock-based marker materials, such as silver, as the basis of pressure measurement in X-ray diffraction studies leads to bulk moduli of cubic carbides which are in extreme disagreement with expected values.

  4. High-pressure structural behavior of nanocrystalline Ge

    DEFF Research Database (Denmark)

    Wang, H.; Liu, J. F.; Yan, H.

    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 transi......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...

  5. High pressure synthesis and magnetic studies of quasi one dimensional systems Sr{sub n-1} Cu{sub n+1} O{sub 2n} (n=3,5)

    Energy Technology Data Exchange (ETDEWEB)

    Azuma, M.; Hiroi, Z.; Takano, M. [Kyoto Univ. (Japan)] [and others

    1994-12-31

    SrCu{sub 2}O{sub 3} and Sr{sub 2}Cu{sub 3}O{sub 5} containing two-leg and three-leg S=1/2 ladders made of antiferromagnetic Cu-O-Cu linear bonds, respectively, were synthesized at high pressure, and their crystallographic and magnetic properties were investigated. Both susceptibility and T{sub 1} data of NMR revealed the existence of a large spin gap only for SrCu{sub 2}O{sub 3}. Superconductivity, which had been predicted theoretically for carrier-doped SrCu{sub 2}O{sub 3} could not be realized although partial substitution of La{sup 3+} for Sr{sup 2+} seemed to be carried out successfully. Electron carriers injected seems to remain localized.

  6. High pressure semiconductor physics: Looking toward the future on the shoulder of the past

    Energy Technology Data Exchange (ETDEWEB)

    Yu, Peter Y. [Department of Physics, University of California and Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States)

    2011-05-15

    High pressure measurements attracted attention from the Semiconductor Physics community after the discovery of William Paul's Empirical Rule. The technique gained further momentum with the invention of the diamond-anvils high pressure cell. Since diamond is transparent from near IR to near UV many forms of optical spectroscopy (such as photoluminescence, modulation spectroscopy, and Raman scattering) have now been routinely carried out under high pressure. The fact that diamonds are also transparent to X-ray means structural phase transitions induced by pressure can be studied together with optical measurements. Further advances, such as electrical and magnetic measurements under hydrostatic (and sometimes quasi-hydrostatic) high pressure conditions, have established high pressure as a general, powerful, and indispensable technique in studying semiconductors. From a review of these past achievements I will attempt to ''predict'' how high pressure techniques will impact semiconductor physics in the future. I will draw examples from areas as diverse as new materials for spintronics and renewable energies, topological insulators to possible multi-ferroic semiconductors. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  7. Structural investigation of ribonuclease A conformational preferences using high pressure protein crystallography

    Energy Technology Data Exchange (ETDEWEB)

    Kurpiewska, Katarzyna, E-mail: kurpiews@chemia.uj.edu.pl [Jagiellonian University, Faculty of Chemistry, Department of Crystal Chemistry and Crystal Physics, Protein Crystallography Group, Ingardena 3, 30-060 Kraków (Poland); Dziubek, Kamil; Katrusiak, Andrzej [Adam Mickiewicz University, Faculty of Chemistry, Department of Materials Chemistry, Umultowska 89b, 61-61 Poznań (Poland); Font, Josep [School of Medical Science, University of Sydney, NSW 2006 (Australia); Ribò, Marc; Vilanova, Maria [Universitat de Girona, Laboratorid’Enginyeria de Proteïnes, Departament de Biologia, Facultat de Ciències, Campus de Montilivi, 17071 Girona (Spain); Lewiński, Krzysztof [Jagiellonian University, Faculty of Chemistry, Department of Crystal Chemistry and Crystal Physics, Protein Crystallography Group, Ingardena 3, 30-060 Kraków (Poland)

    2016-04-01

    Highlights: • A unique crystallographic studies of wild-type and mutated form of the same protein under high pressure. • Compressibility of RNase A molecule is significantly affected by a single amino acid substitution. • High pressure protein crystallography helps understanding protein flexibility and identify conformational substrates. - Abstract: Hydrostatic pressure in range 0.1–1.5 GPa is used to modify biological system behaviour mostly in biophysical studies of proteins in solution. Due to specific influence on the system equilibrium high pressure can act as a filter that enables to identify and investigate higher energy protein conformers. The idea of the presented experiments is to examine the behaviour of RNase A molecule under high pressure before and after introduction of destabilizing mutation. For the first time crystal structures of wild-type bovine pancreatic ribonuclease A and its markedly less stable variant modified at position Ile106 were determined at different pressures. X-ray diffraction experiments at high pressure showed that the secondary structure of RNase A is well preserved even beyond 0.67 GPa at room temperature. Detailed structural analysis of ribonuclease A conformation observed under high pressure revealed that pressure influences hydrogen bonds pattern, cavity size and packing of molecule.

  8. {sup 57}Fe Moessbauer spectroscopy of radiation damaged samarskites and gadolinites

    Energy Technology Data Exchange (ETDEWEB)

    Malczewski, Dariusz, E-mail: dariusz.malczewski@us.edu.pl [University of Silesia, Faculty of Earth Sciences (Poland); Grabias, Agnieszka [Institute of Electronic Materials Technology (Poland); Dercz, Grzegorz [University of Silesia, Institute of Materials Science (Poland)

    2010-01-15

    We report the results of {sup 57}Fe Moessbauer spectroscopy, gamma-ray spectrometry and X-ray diffraction of two fully metamict samarskites and two partially metamict gadolinites. The absorbed {alpha}-dose for these minerals are found to range from 3.6 x 10{sup 15} {alpha}-decay/mg for one of the gadolinite samples to 7.7 x 10{sup 17} {alpha}-decay/mg for one of the samarskite samples. The Moessbauer spectra of samarskites and gadolinites show increasing line widths of the Fe{sup 2+} doublets with absorbed {alpha}-dose. We also observe that the increase in average quadrupole splitting of the Fe{sup 2+} cmponents correlates better with absorbed {alpha}-dose from {sup 232}Th than with total {alpha}-dose.

  9. High pressure synthesis of BiS2

    DEFF Research Database (Denmark)

    Søndergaard-Pedersen, Simone; Nielsen, Morten Bormann; Bremholm, Martin

    crystal structures and electrical properties.1,2 Up until now, the most sulfur rich phase in the Bi-S phase diagram was Bi2S3.3 For BiS2 the Bi atoms have anisotropic charge distribution and more complex structures are expected when comparing the layered structures of transition metal dichalcogenides....... The possibilities of using high pressure synthesis to discover new phases in the Bi-S binary system were investigated as early as the 1960’s.4 The research led to discovery of a compound with BiS2 stoichiometry, but no structure solution of BiS2 was reported. A reason behind making this new phase is to study...

  10. Prediction of Surface Porosity Defects in High Pressure Die Casting

    Science.gov (United States)

    Saeedipour, Mahdi; Schneiderbauer, Simon; Pirker, Stefan; Bozorgi, Salar

    High pressure die casting (HPDC) is a novel manufacturing method with capability of mass production with higher accuracy. Porosity is one of the challenging defects in final product and may be affected by jet instability and atomization during injection phase. In case of atomization a large number of droplets with high velocity impinges the colder confining walls of the casting mold and might solidify consecutively. Different time scales of the impingement of the droplets and their solidification may result in heterogeneous structures near the surface of final product. A numerical framework using volume of fluid method (VOF) and an Eulerian-Lagrangian approach is established to simulate the liquid metal jet breakup and droplet formation during the injection phase. An analytical model for droplet impact on mold walls and solidification is studied and implemented in the numerical framework. The latter enables the prediction of porosity formation near the surface of final product.

  11. High pressure Raman spectra of monoglycine nitrate single crystal

    Science.gov (United States)

    Carvalho, J. O.; Moura, G. M.; Dos Santos, A. O.; Lima, R. J. C.; Freire, P. T. C.; Façanha Filho, P. F.

    2016-05-01

    Single crystal of monoglycine nitrate has been studied by Raman spectroscopy under high pressures up to 5.5 GPa. The results show changes in lattice modes in the pressure ranges of 1.1-1.6 GPa and 4.0-4.6 GPa. The first change occurs with appearance of bands related to the lattice modes as well as discontinuity in the slope of dΩ/dP of these modes. Moreover, bands associated with the skeleton of glycine suggest that the molecule undergoes conformational modifications. The appearance of a strong band at 55 cm- 1 point to a second phase transition associated with the lattice modes, while the internal modes remain unchanged. These anomalies are probably due to rearrangement of hydrogen bonds. Additionally, decompression to ambient pressure shows that the phase transitions are reversible. Finally, the results show that the nitrate anions play an important role on the stability of the monoglycine nitrate crystal.

  12. Color changes in pork in relation to high pressure treatment

    DEFF Research Database (Denmark)

    Bak, Kathrine Holmgaard

    that the critical limit of O2 is higher for dry-cured meat than for cooked, cured meat, possibly due to the reduced molecular mobility in the drier samples. HP treatment appeared to offer an additional protective effect to surface color stability in dry-cured meat, possibly by introducing intermolecular hydrogen......The color changes taking place in fresh as well as cured pork as a result of high pressure (HP) treatment were investigated, characterized, and explained. The effect of HP in the range from 200 through 800 MPa at 5 °C or 20°C on the color of fresh porcine longissimus dorsi (LD) immediately after HP...... treatment and during a six-day storage period was investigated via surface reflectance. Spectroscopic studies (in the form of surface reflectance, UV-vis, and circular dichroism) on the effect of HP treatment on the soluble protein fraction of porcine LD were conducted attempting to explain the color...

  13. Effect of high-pressure homogenization on different matrices of food supplements.

    Science.gov (United States)

    Martínez-Sánchez, Ascensión; Tarazona-Díaz, Martha Patricia; García-González, Antonio; Gómez, Perla A; Aguayo, Encarna

    2016-12-01

    There is a growing demand for food supplements containing high amounts of vitamins, phenolic compounds and mineral content that provide health benefits. Those functional compounds have different solubility properties, and the maintenance of their compounds and the guarantee of their homogenic properties need the application of novel technologies. The quality of different drinkable functional foods after thermal processing (0.1 MPa) or high-pressure homogenization under two different conditions (80 MPa, 33 ℃ and 120 MPa, 43 ℃) was studied. Physicochemical characteristics and sensory qualities were evaluated throughout the six months of accelerated storage at 40 ℃ and 75% relative humidity (RH). Aroma and color were better maintained in high-pressure homogenization-treated samples than the thermally treated ones, which contributed significantly to extending their shelf life. The small particle size obtained after high-pressure homogenization treatments caused differences in turbidity and viscosity with respect to heat-treated samples. The use of high-pressure homogenization, more specifically, 120 MPa, provided active ingredient homogeneity to ensure uniform content in functional food supplements. Although the effect of high-pressure homogenization can be affected by the food matrix, high-pressure homogenization can be implemented as an alternative to conventional heat treatments in a commercial setting within the functional food supplement or pharmaceutical industry. © The Author(s) 2016.

  14. Investigation of potential analytical methods for redox control of the vitrification process. [Moessbauer

    Energy Technology Data Exchange (ETDEWEB)

    Goldman, D.S.

    1985-11-01

    An investigation was conducted to evaluate several analytical techniques to measure ferrous/ferric ratios in simulated and radioactive nuclear waste glasses for eventual redox control of the vitrification process. Redox control will minimize the melt foaming that occurs under highly oxidizing conditions and the metal precipitation that occurs under highly reducing conditions. The analytical method selected must have a rapid response for production problems with minimal complexity and analyst involvement. The wet-chemistry, Moessbauer spectroscopy, glass color analysis, and ion chromatography techniques were explored, with particular emphasis being placed on the Moessbauer technique. In general, all of these methods can be used for nonradioactive samples. The Moessbauer method can readily analyze glasses containing uranium and thorium. A shielded container was designed and built to analyze fully radioactive glasses with the Moessbauer spectrometer in a hot cell environment. However, analyses conducted with radioactive waste glasses containing /sup 90/Sr and /sup 137/Cs were unsuccessful, presumably due to background radiation problems caused by the samples. The color of glass powder can be used to analyze the ferrous/ferric ratio for low chromium glasses, but this method may not be as precise as the others. Ion chromatography was only tested on nonradioactive glasses, but this technique appears to have the required precision due to its analysis of both Fe/sup +2/ and Fe/sup +3/ and its anticipated adaptability for radioactivity samples. This development would be similar to procedures already in use for shielded inductively coupled plasma emission (ICP) spectrometry. Development of the ion chromatography method is therefore recommended; conventional wet-chemistry is recommended as a backup procedure.

  15. Neutron in-beam Moessbauer spectroscopy of iron disulfide at 298 and 78 K

    Energy Technology Data Exchange (ETDEWEB)

    Kobayashi, Y., E-mail: kyoshio@riken.jp [RIKEN (Japan); Yamada, Y. [Tokyo University of Science, Department of Chemistry (Japan); Tsuruoka, Y.; Kubo, M. K. [International Christian University (Japan); Shoji, H. [Tokyo Metropolitan University, Graduate School of Science (Japan); Watanabe, Y. [Saint-Gobain K. K., Crystal Division (Japan); Takayama, T.; Sakai, Y. [Daido Institute of Technology (Japan); Sato, W.; Shinohara, A. [Osaka University, Graduate School of Science (Japan); Segawa, M.; Matsue, H. [Japan Atomic Energy Agency (Japan)

    2008-11-15

    Emission Moessbauer spectra of {sup 57}Fe arising from the {sup 56}Fe(n, {gamma}){sup 57}Fe reaction in two crystal forms of iron disulfide were measured at room temperature and liquid nitrogen temperature. Both forms exhibited two doublets assignable to the parent material and the new species produced by the nuclear reaction. At low temperature three doublets explained the spectra obtained. Production of thermally unstable species after the neutron capture reaction was suggested.

  16. Ultrasonic depth gauge for liquids under high pressure

    Science.gov (United States)

    Zuckerwar, Allan J. (Inventor); Mazel, David S. (Inventor)

    1988-01-01

    The invention relates to an ultrasonic depth gauge for liquids under high pressure and is particularly useful in the space industry where it is necessary to use a pressurized gas to transfer a liquid from one location to another. Conventional liquid depth gauges do not have the capability to operate under extreme high pressure (i.e., exceeding 300 psi). An ultrasonic depth gauge capable of withstanding high pressure according to the present invention is comprised of a transducer assembly and a supporting electronics unit. The former is mounted in to the bottom wall of a storage vessel with its resonating surface directly exposed to the highly pressurized liquid in the vessel. In operation, the ultrasonic pulse propagates upward through the liquid to the liquid-gas interface in the storage vessel. When the ultrasonic echo returns from the liquid-gas interface, it re-excites the composite resonator into vibration. The supporting electronics unit measures the round-trip transmit time for the ultrasonic pulse and its return echo to traverse the depth of the highly pressurized liquid. The novelty of the invention resides in the use of a conventional transducer rigidly bonded to the inside wall of a bored out conventional high-pressure plug to form a composite resonator capable of withstanding extremely high pressure.

  17. Moessbauer effect of the alkaline and alkaline earth metal nitroprusside powders

    CERN Document Server

    Yang, T H; Kim, H S; Hong, C Y; Kim, H B; Cho, H Y; Kim, D Y; Moon, Y S

    2000-01-01

    We observe Moessbauer spectra of Fe atoms centered in nitroprusside anions of sodium nitroprusside (Na sub 2 [Fe(CN) sub 5 NO] 2H sub 2 O). potassium-nitroprusside (K sub 2 [Fe(CN)] sub 5 NO centre dot 2.5H sub 2 O), rubidium nitroprusside (Rb sub 2 [Fe(CN) sub 5 NO centre dot H sub 2 O), magnesium nitroprusside (Mg[Fe(CN) sub 5 NO], calcium nitroprusside (Ca[Fe(CN) sub 5 NO]centre dot 4H sub 2 O), and barium nitroprusside (Ba[Fe(CN) sub 5 NO]centre dot 3H sub 2 O) samples which have photochromic properties. We compare the Moessbauer parameters, the values of the isomer shifts and the quadrupole splittings of the samples with those of a sodium nitroprusside single crystal which is a standard material. The values of the isomer shifts and the quadrupole splittings of the various compounds are close to each other. The values of the line broadening of all samples are between 2.1 GAMMA sub N and 2.5 GAMMA sub N. The Moessbauer Lamb factors (f) are between 0.252(1) and 0.340(2). These values are obtained from the s...

  18. Safety analysis of high pressure gasous fuel container punctures

    Energy Technology Data Exchange (ETDEWEB)

    Swain, M.R. [Univ. of Miami, Coral Gables, FL (United States)

    1995-09-01

    The following report is divided into two sections. The first section describes the results of ignitability tests of high pressure hydrogen and natural gas leaks. The volume of ignitable gases formed by leaking hydrogen or natural gas were measured. Leaking high pressure hydrogen produced a cone of ignitable gases with 28{degrees} included angle. Leaking high pressure methane produced a cone of ignitable gases with 20{degrees} included angle. Ignition of hydrogen produced larger overpressures than did natural gas. The largest overpressures produced by hydrogen were the same as overpressures produced by inflating a 11 inch child`s balloon until it burst.

  19. Implement and application of ultra-high pressures environment

    Science.gov (United States)

    Xian Zhang, Yu; Li, Nan; Liu, Bin Bin; Wang, Hong

    2017-09-01

    A hydraulic system was designed which was used to generate hydrostatic ultra-high pressure environment. The functions and roles of the main elements in the hydraulic system were introduced. Deformation theory based on ultrahigh pressure cylinder was analyzed. The principle and method about measuring ultra-high pressure cylinder radial and circumferential elastic line-strain by a dial indicator were illustrated. A practical example was given to illustrate the practicability and validity of this method. The measures to decrease the measurement error were pointed out. The described priciples and methods have a certain theoretical and practical significance in engineering research and application of ultra-high pressure.

  20. Public debate on metallic hydrogen to boost high pressure research

    Directory of Open Access Journals (Sweden)

    Hua Y. Geng

    2017-11-01

    Full Text Available Instead of praises from colleagues, the claim of observation of metallic hydrogen at 495 GPa by Dias and Silvera met much skepticism, and grew into a public debate at the International Conference on High-Pressure Science and Technology, AIRAPT26. We briefly review this debate, and extend the topic to show that this disputation could be an opportunity to benefit the whole high pressure community. Keywords: High pressure, Metallic hydrogen, Quantum solid and liquid, Phase stability, Superconductivity, PACS codes: 61.50.Ks, 67.63.-r, 67.80.-s, 71.30.+h, 74.62.Fj

  1. Development of a highly efficient conversion electron Moessbauer spectroscopy (CEMS) detector for low temperature (<20 K) measurements and tests on Fe / (Eu{sub x}Pb{sub 1-x})Te bilayers; Desenvolvimento de um detector de alta eficiencia para espectroscopia Moessbauer de eletrons de conversao (CEMS) a baixas temperaturas (<20K) e testes em bicamadas Fe / (Eu{sub x}Pb{sub 1-x})Te

    Energy Technology Data Exchange (ETDEWEB)

    Pombo, Carlos Jose da Silva Matos

    2006-07-01

    The {sup 57}Fe Moessbauer spectroscopy is a nuclear, non-destructive technique used for the investigation of structural, magnetic and hyperfine properties of several materials. It is a powerful tool in characterizing materials in physics, metallurgy, geology and biology field areas, especially magnetic materials, alloys and minerals containing Fe. Lately, the Conversion Electron Moessbauer Spectroscopy (CEMS) is widely used in making studies on ultra-thin magnetic films, as well as other nanostructured materials. In case of magnetic nanostructures, low temperature (LT) studies are especially important due to the possibility of dealing with superparamagnetic effects. In this work it was developed a CEMS measurement system for low temperatures (<20 K) based on a solid-state electron multiplier (Channeltron{sup R}) and an optical cryostat (Model SVT-400, Janis Research Co, USA), from which the project was originally conceived at the Applied Physics / Moessbauer spectroscopy Department from University of Duisburg-Essen, Germany. The LT-CEMS system was fully built, tested and successfully applied in a preliminary characterization of Fe/(Eu{sub x}Pb{sub 1-x})Te(111) bilayers with use of a 15 angstrom, {sup 57} Fe probe layer, with reasonable results at sample temperatures as low as 8 K. (author)

  2. S123b -NQR study of unconventional superconductivity in the filled skutterudite heavy-fermion compound PrOs4Sb12 under high pressure up to 3.82 GPa

    Science.gov (United States)

    Kawasaki, S.; Katayama, K.; Sugawara, H.; Kikuchi, D.; Sato, H.; Zheng, Guo-Qing

    2008-08-01

    We report S123b nuclear-quadrupole-resonance (NQR) measurements of the filled skutterudite heavy-fermion superconductor PrOs4Sb12 under high pressure. The temperature dependence of NQR frequency and the spin-lattice relaxation rate 1/T1 indicate that the crystal-electric-field splitting ΔCEF between the ground-state Γ1 singlet and the first-excited-state Γ4(2) triplet decreases with increasing pressure. ac-susceptibility measurements indicate that the superconducting transition temperature (Tc) also decreases with increasing pressure. However, above Ptilde 2GPa , both ΔCEF and Tc do not depend on external pressure up to P=3.82GPa . These pressure dependences of ΔCEF and Tc suggest an intimate relationship between quadrupole excitations associated with the Γ4(2) level and unconventional superconductivity in PrOs4Sb12 . In the superconducting state, 1/T1 below Tc=1.55 and 1.57 K at P=1.91 and 2.63 GPa shows a power-law temperature variations and is proportional to T5 at temperatures considerably below Tc . These data can be well fitted by the gap model Δ(θ)=Δ0sinθ , with Δ0=3.08kBTc and 3.04kBTc for P=1.91 and 2.63 GPa, respectively. The results indicate that there exist point nodes in the gap function.

  3. High-Pressure Study of Perovskite-Like Organometal Halide: Band-Gap Narrowing and Structural Evolution of [NH 3 -(CH 2 )4 -NH3 ]CuCl4

    Energy Technology Data Exchange (ETDEWEB)

    Li, Qian; Li, Shourui; Wang, Kai; Quan, Zewei; Meng, Yue; Zou, Bo

    2017-01-10

    Searching for nontoxic and stable perovskite-like alternatives to lead-based halide perovskites for photovoltaic application is one urgent issue in photoelectricity science. Such exploration inevitably requires an effective method to accurately control both the crystalline and electronic structures. This work applies high pressure to narrow the band gap of perovskite-like organometal halide, [NH3-(CH2)4-NH3]CuCl4 (DABCuCl4), through the crystalline-structure tuning. The band gap keeps decreasing below ~12 GPa, involving the shrinkage and distortion of CuCl42–. Inorganic distortion determines both band-gap narrowing and phase transition between 6.4 and 10.5 GPa, and organic chains function as the spring cushion, evidenced by the structural transition at ~0.8 GPa. The supporting function of organic chains protects DABCuCl4 from phase transition and amorphization, which also contributes to the sustaining band-gap narrowing. This work combines crystal structure and macroscopic property together and offers new strategies for the further design and synthesis of hybrid perovskite-like alternatives.

  4. The effect of chalcogen atom on the structural, elastic, and high-pressure properties of XY compounds (X = La, Ce, Eu, and Y = S, Se, and Te): An ab initio study

    Energy Technology Data Exchange (ETDEWEB)

    Charifi, Z.; Baaziz, H. [Physics Department, Faculty of Science, University of M' sila, 28000 M' sila (Algeria); Saeed, Y. [School of Complex Systems, FFWP-South Bohemia University, Nove Hrady 37333 (Czech Republic); Reshak, Ali Hussain [School of Complex Systems, FFWP-South Bohemia University, Nove Hrady 37333 (Czech Republic); School of Material Engineering, Malaysia University of Perlis, P.O. Box 77, d/a Pejabat Pos Besar, 01007 Kangar, Perlis (Malaysia); Soltani, F. [Physics Department, Faculty of Science, University of Batna, 05000 Batna (Algeria)

    2012-01-15

    The B1 (NaCl) and B2 (CsCl) structure of rare-earth monochalcogenides XY (X = La, Ce, Eu, and Y = S, Se, and Te) were investigated with the full-potential linearized-augmented plane wave (FP-LAPW) scheme in the frame of the generalized gradient approximation (GGA). The optimized lattice parameters, independent elastic constants (C{sub 11}, C{sub 12}, and C{sub 44}) at zero and high pressure, bulk modulus B, and its pressure derivative and the shear modulus G were evaluated. Further, the numerical estimates of a set of elastic parameters [Young's modulus E, Poisson's ratio ({nu}), Lame's coefficients ({mu}, {lambda})] of the polycrystalline XY (X = La, Ce, Eu, and Y = S, Se, and Te) compounds (in the framework of the Voigt-Reuss-Hill approximation) were performed. The pressures at which these compounds undergo structural phase transition from B1 (NaCl) to B2 (CsCl) phases were calculated. For rare-earth monochalcogenides XY, the Debye temperature is also estimated from the average sound velocity. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  5. The high pressure gas Cerenkov counter at the Omega Facility.

    CERN Multimedia

    1975-01-01

    The high-pressure gas Cerenkov was used to measure reactions as pion (or kaon)- hydrogen --> forward proton - X. It was built by the Ecole Polytechnique (Palaiseu). Here Peter Sonderegger and Patrick Fleury,

  6. Beam steering effects in turbulent high pressure flames

    Energy Technology Data Exchange (ETDEWEB)

    Hemmerling, B.; Kaeppeli, B. [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

    1997-06-01

    The propagation of a laser beam through a flame is influenced by variations of the optical density. Especially in turbulent high pressure flames this may seriously limit the use of laser diagnostic methods. (author) 1 fig., 2 refs.

  7. Novel High Pressure Pump-on-a-Chip Technology Project

    Data.gov (United States)

    National Aeronautics and Space Administration — HJ Science & Technology, Inc proposes to develop a novel high pressure "pump-on-a-chip" and "valve-on-a-chip" microfluidic technology for NASA planetary science...

  8. Monitoring protein folding through high pressure NMR spectroscopy.

    Science.gov (United States)

    Roche, Julien; Royer, Catherine A; Roumestand, Christian

    2017-11-01

    High-pressure is a well-known perturbation method used to destabilize globular proteins. It is perfectly reversible, which is essential for a proper thermodynamic characterization of a protein equilibrium. In contrast to other perturbation methods such as heat or chemical denaturant that destabilize protein structures uniformly, pressure exerts local effects on regions or domains of a protein containing internal cavities. When combined with NMR spectroscopy, hydrostatic pressure offers the possibility to monitor at a residue level the structural transitions occurring upon unfolding and to determine the kinetic properties of the process. High-pressure NMR experiments can now be routinely performed, owing to the recent development of commercially available high-pressure sample cells. This review summarizes recent advances and some future directions of high-pressure NMR techniques for the characterization at atomic resolution of the energy landscape of protein folding. Copyright © 2017 Elsevier B.V. All rights reserved.

  9. Magnetic structures of erbium under high pressure

    DEFF Research Database (Denmark)

    Kawano, S.; Lebech, B.; Achiwa, N.

    1993-01-01

    Neutron diffraction studies of the magnetic structures of erbium metal at 4.5 K and 11.5 kbar hydrostatic pressure have revealed that the transition to a conical structure at low temperatures is suppressed and that the cycloidal structure, with modulation vector Q congruent-to (2/7 2pi/c)c persists...... between 4.5 K and approximately 50 K, where it tends to increase. The intensities of the magnetic satellites originating from higher-order harmonics of the c-axis-moment component observed at 4.5 K decrease slowly with increasing temperature, but persist up to approximately 60 K....

  10. A high-pressure MWPC detector for crystallography

    DEFF Research Database (Denmark)

    Ortuno-Prados, F.; Bazzano, A.; Berry, A.

    1999-01-01

    The application of the Multi-Wire Proportional Counter (MWPC) as a potential detector for protein crystallography and other wide-angle diffraction experiments is presented. Electrostatic problems found with our large area MWPC when operated at high pressure are discussed. We suggest that a soluti...... to these problems is to use a glass micro-strip detector in place of the wire frames. The characteristics of a high-pressure Micro-Strip Gas Chamber (MSGC) tested in the laboratory are presented....

  11. Investigations on high-pressure ribbed tubes

    Energy Technology Data Exchange (ETDEWEB)

    Kling, G.

    1942-05-01

    During hydrogenation of coal, the reactants (coal paste and hydrogen) had to be heated to reaction temperature partly by heat exchange with products and partly by heating in hairpin tubes of a preheater. These hairpin tubes were heated externally by hot circulating gases. In order to improve heat transfer from the gases to the tubes, various types of metal ribbing were welded to the tubes to catch more heat and transfer it to the tubes. This report detailed some studies on the best shapes and dimensions and numbers of plates to be used. The report was limited to flat, rectangular-cross-section plates attached perpendicularly, instead of including flat circular plates, spiral plates, or other configurations. The advantage of greater surface area to catch more heat had to be balanced off against the disadvantage of greater surface area to absorb more heat in internal resistance to heat flow. The report described the experimental conditions, the modifications tested, and the shape decided upon as best for flat plates. Some of the diagrams illustrating temperature distributions around the tubes and ribs were presented in imitation three-dimenional formats. 16 figures.

  12. Thermal conductivity of iron at high pressures

    Science.gov (United States)

    Suehiro, S.; Ohta, K.; Yagi, T.; Hirose, K.

    2016-12-01

    Earth generates and preserves a dipole magnetic field by self-sustained dynamo action in its liquid outer core for geologic timescale. Secular cooling of the core induces growth of the solid inner core that contributes additional buoyant source for the core convection. The electrical and thermal conductivities of core are fundamental physical parameters for knowing the dynamics inside the Earth. Direct measurements of the electrical and thermal conductivities of iron (Fe) at the Earth's core conditions have been recently reported (Konôpková et al., 2016; Ohta et al., 2016). Measurements of Fe thermal conductivity at the core conditions suggested thermal conductivity of the outer core was 18-32 W/m/K (Konôpková et al., 2016). On the other hand, Ohta et al. (2016) experimentally determined electrical conductivity of Fe at the core conditions, and estimated the core conductivity to be 75-117 W/m/K from obtained electrical conductivity and Wiedemann-Franz relation (κ = σLT; κ: thermal conductivity, σ: electrical conductivity, L: Lorenz number, T: absolute temperature) with ideal Lorenz number. Such large discrepancy in the estimated core thermal conductivity throw doubt on the validity of the Wiedemann-Franz relation at extremely high P-T conditions. In this study, we performed thermal conductivity measurements on Fe up to 130 GPa at room temperature in a diamond anvil cell using the pulsed light heating thermoreflectance technique (Ohta et al., 2012). The obtained thermal conductivity of Fe is in good agreement with calculated thermal conductivity via high-P/room-T Fe electrical conductivity and the Wiedemann-Franz law with constant Lorenz number up to around 50 GPa. However, the obtained thermal conductivity deviated downward from the calculated thermal conductivity profile above 50 GPa. Our results suggest pressure-dependent Lorenz number of Fe,which could be due to pressure- induced electronic topological transition in hcp Fe (Glazyrin et al., 2013). Kon

  13. Optimization of stent implantation using a high pressure inflation protocol.

    Science.gov (United States)

    Vallurupalli, Srikanth; Bahia, Amit; Ruiz-Rodriguez, Ernesto; Ahmed, Zubair; Hakeem, Abdul; Uretsky, Barry F

    2016-01-01

    High-pressure inflation is the universal standard for stent deployment but a specific protocol for its use is lacking. We developed a standardized "pressure optimization protocol" (POP) using time to inflation pressure stability as an endpoint for determining the required duration of stent inflation. The primary study purpose was to determine the stent inflation time (IT) in a large patient cohort using the standardized inflation protocol, to correlate various patient and lesion characteristics with IT, and ascertain in an in vitro study the time for pressure accommodation within an inflation system. Six hundred fifteen stent implants in 435 patients were studied. Multivariate analysis was performed to determine predictors of longer ITs. In an in vitro study, various stents and balloons were inflated in air to determine the pressure accommodation time of the inflation system. The mean stent IT was 104 ± 41 sec (range 30-380 sec). Stent length was the only predictor of prolonged stent inflation. The "accommodation time" in vitro of the stent inflation system itself was 33 ± 24 sec. The protocol was safe requiring premature inflation termination in expand the stent and that the use of a pressure stability protocol will allow for safe, predictable, and more complete stent deployment. © 2015 Wiley Periodicals, Inc. © 2015 Wiley Periodicals, Inc.

  14. 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

  15. Research of a Novel Ultra-High Pressure Sensor with High-Temperature Resistance

    Directory of Open Access Journals (Sweden)

    Guo-Dong Zhang

    2017-12-01

    Full Text Available Ultra-high pressure measurement has significant applications in various fields such as high pressure synthesis of new materials and ultra-high pressure vessel monitoring. This paper proposes a novel ultra-high pressure sensor combining a truncated-cone structure and a silicon-on-insulator (SOI piezoresistive element for measuring the pressure up to 1.6 GPa. The truncated-cone structure attenuates the measured pressure to a level that can be detected by the SOI piezoresistive element. Four piezoresistors of the SOI piezoresistive element are placed along specific crystal orientation and configured as a Wheatstone bridge to obtain voltage signals. The sensor has an advantage of high-temperature resistance, in that the structure of the piezoresistive element can avoid the leakage current at high temperature and the truncated-cone structure separates the piezoresistive element from the heat environment. Furthermore, the upper surface diameter of the truncated-cone structure is designed to be 2 mm for the application of small scale. The results of static calibration show that the sensor exhibits a good performance in hysteresis and repeatability. The temperature experiment indicates that the sensor can work steadily at high temperature. This study would provide a better insight to the research of ultra-high pressure sensors with larger range and smaller size.

  16. High-pressure structure and elastic properties of tantalum single crystal: First principles investigation

    Science.gov (United States)

    Gu, Jian-Bing; Wang, Chen-Ju; Zhang, Wang-Xi; Sun, Bin; Liu, Guo-Qun; Liu, Dan-Dan; Yang, Xiang-Dong

    2016-12-01

    Since knowledge of the structure and elastic properties of Ta at high pressures is critical for addressing the recent controversies regarding the high-pressure stable phase and elastic properties, we perform a systematical study on the high-pressure structure and elastic properties of the cubic Ta by using the first-principles method. Results show that the initial body-centered cubic phase of Ta remains stable even up to 500 GPa and the high-pressure elastic properties are excellently consistent with the available experimental results. Besides, the high-pressure sound velocities of the single- and poly-crystals Ta are also calculated based on the elastic constants, and the predications exhibit good agreement with the existing experimental data. Project supported by the Basic and Frontier Technical Research Project of Henan Province, China (Grant No. 152300410228), the University Innovation Team Project in Henan Province, China (Grant No. 15IRTSTHN004), and the Key Scientific Research Project of Higher Education of Henan Province, China (Grant No. 17A140014).

  17. Structural control on displacive phase transitions in minerals at high pressures

    Science.gov (United States)

    Miletich, Ronald

    2010-05-01

    High-pressure phase transformations resemble discontinuous thermodynamic and structural changes of materials, which can be assigned to configurational instabilities and lattice-related boundary conditions. In particular transformations, which are predominantely displacive in character, reveal structural control across the critical transition pressures through the structures of the polymorphs involved. Three examples of high-pressure phase transitions will be presented, which have been subject to a series of experimental studies at high pressures using diamond-anvil cells. The first example deals with clinopyroxenes, their static elasticities and elastic anomalies associated with occuring first-order transition. The example of spodumene will demonstrate in particular the structural role of the silicate-chain units, and exemplifies the pronounced deviation from conventional equation-of-state behaviour in the proximity of the critical transition pressure. The second example deals with the high-pressure phase transition of behoite and the structural control of hydrogen bridging on first-order transformations in simple (hydr)oxide phases. The third example will present the second-order transition in the silicate mineral benitoite, which has been chosen to demonstrate the need for high-precision single-crystal techniques in order to track down subtle structural changes related to high-pressure transitions.

  18. Anomalous high pressure behaviour in nanosized rare earth sesquioxides

    Energy Technology Data Exchange (ETDEWEB)

    Dilawar, Nita; Varandani, Deepak; Mehrotra, Shalini; Bandyopadhyay, Ashis K [Pressure and Vacuum Standards, National Physical Laboratory, Dr K S Krishnan Road, New Delhi 110012 (India); Poswal, Himanshu K; Sharma, Surinder M [High Pressure Physics Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India)

    2008-03-19

    We report Raman spectroscopic studies of the nanosized rare earth sesquioxides, namely yttrium sesquioxide (Y{sub 2}O{sub 3}), gadolinium sesquioxide (Gd{sub 2}O{sub 3}) and samarium sesquioxide (Sm{sub 2}O{sub 3}), under high pressure. The samples were characterized using x-ray diffraction, Raman spectroscopy and atomic force microscopy at atmospheric pressures. Y{sub 2}O{sub 3} and Gd{sub 2}O{sub 3} were found to be cubic at ambient, while Sm{sub 2}O{sub 3} was found to be predominantly cubic with a small fraction of monoclinic phase. The strongest Raman peaks are observed at 379, 344 and 363 cm{sup -1}, respectively, for Y{sub 2}O{sub 3}, Sm{sub 2}O{sub 3} and Gd{sub 2}O{sub 3}. All the samples were found to be nanosized with 50-90 nm particle sizes. The high pressures were generated using a Mao-Bell type diamond anvil cell and a conventional laser Raman spectrometer is used to monitor the pressure-induced changes. Y{sub 2}O{sub 3} seems to undergo a crystalline to partial amorphous transition when pressurized up to about 19 GPa, with traces of hexagonal phase. However, on release of pressure, the hexagonal phase develops into the dominant phase. Gd{sub 2}O{sub 3} is also seen to develop into a mixture of amorphous and hexagonal phases on pressurizing. However, on release of pressure Gd{sub 2}O{sub 3} does not show any change and the transformation is found to be irreversible. On the other hand, Sm{sub 2}O{sub 3} shows a weakening of cubic phase peaks while monoclinic phase peaks gain intensity up to about a pressure of 6.79 GPa. However, thereafter the monoclinic phase peaks also reduce in intensity and mostly disordering sets in which does not show significant reversal as the pressure is released. The results obtained are discussed in detail.

  19. Evolution of Titan's High-Pressure Ice layer

    Science.gov (United States)

    Sotin, C.; Kalousova, K.

    2016-12-01

    Constraints on the present interior structure of Titan come from the gravity science experiment onboard the Cassini spacecraft and from the interpretation of the Extremely Low Frequency (ELF) wave observed by the Huygens probe [1, 2]. From the surface to the center, Titan would be composed of 4 layers: an icy crust, a global salty ocean, a layer of high-pressure ice (HP ice) and a core made of hydrated silicates [2, 3, 4]. The presence of a large amount of 40Ar in Titan's atmosphere argues for a geologically recent exchange process between the silicate core, where 40Ar is produced by the decay of 40K, and the atmosphere. Argon must then be able to be transported from the silicate core to the surface. This study investigates how volatiles can be transported through the HP ice layer.Recent numerical simulations [5] have demonstrated that the dynamics of the HP ice layer is controlled by convection processes in a two-phase material (water and high-pressure ice). The silicate / HP ice interface is maintained at the melting temperature, which might allow for the incorporation of volatiles such as 40Ar into the convecting HP ice. Above the hot thermal boundary layer, the temperature of the convecting HP ice is below the melting temperature, except for the upwelling plumes when they approach the cold thermal boundary layer. The upper part of the HP ice layer is at the melting point and permeable for water transport, providing a path for the transfer of volatiles trapped in the ice towards the ocean.Scaling laws are inferred from the numerical simulations [5]. They are then used to model the evolution of the HP ice layer. Specifically, we look at the effect of (i) ice viscosity, (ii) heat flux at the silicate/HP ice interface, and (iii) presence of anti-freeze compounds in the ocean, on the thickness of the HP ice layer. In addition, our results provide insights on possible resurfacing processes that could explain the geologically young age of Titan's surface. This work

  20. Numerical investigation of high-pressure combustion in rocket engines using Flamelet/Progress-variable models

    CERN Document Server

    Coclite, A; De Palma, P; Pascazio, G

    2015-01-01

    The present paper deals with the numerical study of high pressure LOx/H2 or LOx/hydrocarbon combustion for propulsion systems. The present research effort is driven by the continued interest in achieving low cost, reliable access to space and more recently, by the renewed interest in hypersonic transportation systems capable of reducing time-to-destination. Moreover, combustion at high pressure has been assumed as a key issue to achieve better propulsive performance and lower environmental impact, as long as the replacement of hydrogen with a hydrocarbon, to reduce the costs related to ground operations and increase flexibility. The current work provides a model for the numerical simulation of high- pressure turbulent combustion employing detailed chemistry description, embedded in a RANS equations solver with a Low Reynolds number k-omega turbulence model. The model used to study such a combustion phenomenon is an extension of the standard flamelet-progress-variable (FPV) turbulent combustion model combined ...