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Sample records for high-pressure structural behaviour

  1. High-pressure structural behaviour of nanocrystalline Ge

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

    2007-01-01

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

  2. Heavy fermion behaviour in the high pressure structure of CeSb{sub 2}

    Fedoseev, Vitaly; Feng, Zhuo; Zou, Yang; Grosche, F. Malte [Cavendish Laboratory, University of Cambridge, Cambridge CB3 0HE (United Kingdom); Giles, Terence; Niklowitz, Philipp [Department of Physics, Royal Holloway, University of London, Egham TW20 0EX (United Kingdom); Wilhelm, Heribert [Beamline I15, Diamond Light Source, Didcot OX11 0DE (United Kingdom); Lampronti, Giulio [Department of Earth Sciences, University of Cambridge, Cambridge CB2 3EQ (United Kingdom)

    2015-07-01

    The Kondo lattice system CeSb{sub 2} crystallises in the orthorhombic SmSb{sub 2} structure and exhibits a series of magnetic phase transitions at low temperature. It has been reported to become ferromagnetic below 15 K, with the ordered moment oriented within the basal plane, and to undergo two further transitions at 9K and 12K. These transition are suppressed above a hydrostatic pressure p{sub c} ≅ 16 kbar. We present high pressure transport and x-ray diffraction results, which examine the high pressure state of CeSb{sub 2}. Our findings suggest that CeSb{sub 2} undergoes a drastic structural change at p{sub c} into a new and now fully resolved crystal structure. Whereas in the low pressure structure, CeSb{sub 2} is a local moment magnet, in the high pressure structure it exhibits transport properties characteristic of a heavy fermion material with a low Kondo temperature scale of the order of 10 K.

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

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

    2004-01-01

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

  4. High-pressure structural behaviour of HoVO4: combined XRD experiments and ab initio calculations

    Garg, Alka B; Errandonea, D; Rodríguez-Hernández, P; Muñoz, A; López-Moreno, S; Popescu, C

    2014-01-01

    We report a high-pressure experimental and theoretical investigation of the structural properties of zircon-type HoVO 4 . Angle-dispersive x-ray diffraction measurements were carried out under quasi-hydrostatic and partial non-hydrostatic conditions up to 28 and 23.7 GPa, respectively. In the first case, an irreversible phase transition is found at 8.2 GPa. In the second case, the onset of the transition is detected at 4.5 GPa, a second (reversible) transition is found at 20.4 GPa, and a partial decomposition of HoVO 4 was observed. The structures of the different phases have been assigned and their equations of state (EOS) determined. Experimental results have also been compared to theoretical calculations which fully agree with quasi-hydrostatic experiments. Theory also suggests the possibility of another phase transition at 32 GPa; i.e. beyond the pressure limit covered by present experiments. Furthermore, calculations show that deviatoric stresses could trigger the transition found at 20.4 GPa under non-hydrostatic conditions. The reliability of the present experimental and theoretical results is supported by the consistency between the values yielded for transition pressures and EOS parameters by the two methods. (paper)

  5. High pressure orthorhombic structure of CuInSe2

    Bovornratanaraks, T; Saengsuwan, V; Yoodee, K; McMahon, M I; Hejny, C; Ruffolo, D

    2010-01-01

    The structural behaviour of CuInSe 2 under high pressure has been studied up to 53 GPa using angle-dispersive x-ray powder diffraction techniques. The previously reported structural phase transition from its ambient pressure tetragonal structure to a high pressure phase with a NaCl-like cubic structure at 7.6 GPa has been confirmed. On further compression, another structural phase transition is observed at 39 GPa. A full structural study of this high pressure phase has been carried out and the high pressure structure has been identified as orthorhombic with space group Cmcm and lattice parameters a = 4.867(8) A, b = 5.023(8) A and c = 4.980(3) A at 53.2(2) GPa. This phase transition behaviour is similar to those of analogous binary and trinary semiconductors, where the orthorhombic Cmcm structure can also be viewed as a distortion of the cubic NaCl-type structure.

  6. High pressure behaviour of uranium mono pnictides

    Pagare, Gitanjali; Ojha, Poonam; Sanyal, S.P.; Aynyas, Mahendra

    2006-01-01

    The pressure induced structural phase transition of three actinide mono pnictides AX (A=U and X=As, Sb, Bi), have been studied theoretically using two body interionic potential with necessary modifications to include the effect of Coulomb screening by the delocalized 5f electrons of the actinide (uranium) ion. The peculiar properties of these compounds have been interpreted in terms of the hybridization of f electrons with the conduction band. The calculated compression curves are compared with the experimental results. These compounds exhibits first order crystallographic phase transition from their NaCl (B 1 ) phase to CsCl (B 2 ) phase at 17GPa, 9.5GPa and 5.3 GPa respectively. The NaCl phase possesses lower energy than CsCl phase and stable at ambient pressure. (author)

  7. High pressure behaviour of heavy rare earth antimonides

    Pagare, Gitanjali; Soni, Pooja; Srivastava, Vipul; Sanyal, S.P.

    2008-01-01

    We have investigated theoretically the high-pressure structural phase transition and cohesive properties of two heavy rare earth mono anyimonides (LnSb; Ln = Dy and Lu) by using two body interionic potential with necessary modifications to include the effect of Coulomb screening by the delocalized 4f electrons of the RE ion. The peculiar properties of these compounds have been interpreted in terms of the hybridization of f electrons with the conduction band. The calculated compression curves and the values of high-pressure behaviour have been discussed and compared with the experimental results. These compounds exhibits first order crystallographic phase transition from their NaCl (B 1 ) phase to CsCl (B 2 ) phase at 23.6 GPa and 25.4 GPa respectively. At phase transition the % volume collapse for both the compounds are little higher than the measured ones. The NaCl phase possesses lower energy than CsCl phase and stable at ambient pressure. The bulk moduli of LnSb compounds are obtained from the P-V curve fitted by the Birch equation of state. We also calculated the Ln-Ln distance as a function of pressure. (author)

  8. High-pressure structures of methane hydrate

    Hirai, H; Uchihara, Y; 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 0 , for str. I, str. A, and str. C were calculated to be 7.4, 9.8, and 25.0 GPa, respectively

  9. Magnetic structures of erbium under high pressure

    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...

  10. Electronic structure and optical properties of AIN under high pressure

    Li Zetao; Dang Suihu; Li Chunxia

    2011-01-01

    We have calculated the electronic structure and optical properties of Wurtzite structure AIN under different high pressure with generalized gradient approximation (GGA) in this paper. The total energy, density of state, energy band structure and optical absorption and reflection properties under high pressure are calculated. By comparing the changes of the energy band structure, we obtained AIN phase transition pressure for 16.7 GPa, which is a direct band structure transforming to an indirect band structure. Meanwhile, according to the density of states distribution and energy band structure, we analyzed the optical properties of AIN under high-pressure, the results showed that the absorption spectra moved from low-energy to high-energy. (authors)

  11. Model of Structural Fragmentation Induced by High Pressure Torsion

    Kratochvíl, J.; Kružík, Martin; Sedláček, R.

    2010-01-01

    Roč. 25, č. 1 (2010), s. 88-98 ISSN 1606-5131 Institutional research plan: CEZ:AV0Z10750506 Keywords : High-pressure torsion * intergranular glide * homogeneous deformation mode Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.649, year: 2010 http://library.utia.cas.cz/separaty/2010/MTR/kruzik-model of structural fragmentation induced by high pressure torsion.pdf

  12. Structural investigation of ribonuclease A conformational preferences using high pressure protein crystallography

    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.

  13. Structural investigation of ribonuclease A conformational preferences using high pressure protein crystallography

    Kurpiewska, Katarzyna; Dziubek, Kamil; Katrusiak, Andrzej; Font, Josep; Ribò, Marc; Vilanova, Maria; Lewiński, Krzysztof

    2016-01-01

    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.

  14. Unravelling the High-Pressure Behaviour of Dye-Zeolite L Hybrid Materials

    Lara Gigli

    2018-02-01

    Full Text Available Self-assembly of chromophores nanoconfined in porous materials such as zeolite L has led to technologically relevant host-guest systems exploited in solar energy harvesting, photonics, nanodiagnostics and information technology. The response of these hybrid materials to compression, which would be crucial to enhance their application range, has never been explored to date. By a joint high-pressure in situ synchrotron X-ray powder diffraction and ab initio molecular dynamics approach, herein we unravel the high-pressure behaviour of hybrid composites of zeolite L with fluorenone dye. High-pressure experiments were performed up to 6 GPa using non-penetrating pressure transmitting media to study the effect of dye loading on the structural properties of the materials under compression. Computational modelling provided molecular-level insight on the response to compression of the confined dye assemblies, evidencing a pressure-induced strengthening of the interaction between the fluorenone carbonyl group and zeolite L potassium cations. Our results reveal an impressive stability of the fluorenone-zeolite L composites at GPa pressures. The remarkable resilience of the supramolecular organization of dye molecules hyperconfined in zeolite L channels may open the way to the realization of optical devices able to maintain their functionality under extreme conditions.

  15. On the electronic structure and equation of state in high pressure ...

    We discuss the high pressure behaviour of zinc as an interesting example of controversy, and of extensive interplay between theory and experiment. We present its room temperature electronic structure calculations to study the temperature effect on the occurrence of its controversial axial ratio (/) anomaly under pressure ...

  16. A hydronitrogen solid: high pressure ab initio evolutionary structure searches

    Hu Anguang; Zhang Fan

    2011-01-01

    High pressure ab initio evolutionary structure searches resulted in a hydronitrogen solid with a composition of (NH) 4 . The structure searches also provided two molecular isomers, ammonium azide (AA) and trans-tetrazene (TTZ) which were previously discovered experimentally and can be taken as molecular precursors for high pressure synthesis of the hydronitrogen solid. The computed pressure versus enthalpy diagram showed that the transformation pressure to the hydronitrogen solid is 36 GPa from AA and 75 GPa from TTZ. Its metastability was analyzed by the phonon dispersion spectrum and room-temperature vibrational density of state together with the transformation energy barrier back to molecular phases at 298 K. The predicted energy barrier of 0.21 eV/atom means that the proposed hydronitrogen solid should be very stable at ambient conditions. (fast track communication)

  17. High pressure structural studies on nanophase praseodymium oxide

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

    2014-01-01

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

  18. Ground-State Structures of Ice at High-Pressures

    McMahon, Jeffrey M.

    2011-01-01

    \\textit{Ab initio} random structure searching based on density functional theory is used to determine the ground-state structures of ice at high pressures. Including estimates of lattice zero-point energies, ice is found to adopt three novel crystal phases. The underlying sub-lattice of O atoms remains similar among them, and the transitions can be characterized by reorganizations of the hydrogen bonds. The symmetric hydrogen bonds of ice X and $Pbcm$ are initially lost as ice transforms to s...

  19. High pressure structural phase transition of neodymium mono pnictides

    Pagare, Gitanjali; Ojha, P.; Sanyal, S.P.; Aynyas, Mahendra

    2007-01-01

    We have investigated theoretically the high-pressure structural phase transition of two neodymium mono NdX (X=As, Sb) using an interionic potential theory with necessary modification to include the effect of Coulomb screening by the delocalized f electrons of Nd ion. These compounds exhibits first order crystallographic phase transition from their NaCl (B 1 ) phase to body centered tetragonal (BCT) at 27 GPa and 15.3 GPa respectively. We also calculated the Nd-Nd distance as a function of pressure. (author)

  20. Development of a remote inspection robot for high pressure structures

    Lee, Jae C.; Kim, Jae H.; Choi, Yu R.; Moon, Soon S

    1999-10-01

    The high pressure structures in industrial plants must be periodically inspected for ensure their safety. Currently, the examination of them is manually performed by human inspectors, and there are many restrictions to examine the large containers which enclose dangerous chemicals or radioactive materials. We developed a remotely operated robot to examine these structures using recent mobile robot and computer technologies. Our robot has two magnetic caterpillars that make the robot can adhere to the structures made of steel like materials. The robot moves to the position for examination, and scans that position using ultrasonic probes equipped on it's arm, and transmits the result to the inspector according to his/her commands. Without building any auxiliary structures the robot can inspect the places where manual inspection can't reach. Therefore the robot can make shortening the inspection time as well as preventing the inspector from an accident. (author)

  1. Development of a remote inspection robot for high pressure structures

    Lee, Jae C.; Kim, Jae H.; Choi, Yu R.; Moon, Soon S.

    1999-10-01

    The high pressure structures in industrial plants must be periodically inspected for ensure their safety. Currently, the examination of them is manually performed by human inspectors, and there are many restrictions to examine the large containers which enclose dangerous chemicals or radioactive materials. We developed a remotely operated robot to examine these structures using recent mobile robot and computer technologies. Our robot has two magnetic caterpillars that make the robot can adhere to the structures made of steel like materials. The robot moves to the position for examination, and scans that position using ultrasonic probes equipped on it's arm, and transmits the result to the inspector according to his/her commands. Without building any auxiliary structures the robot can inspect the places where manual inspection can't reach. Therefore the robot can make shortening the inspection time as well as preventing the inspector from an accident. (author)

  2. High pressure structural studies on nanophase praseodymium oxide

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

    2014-09-15

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

  3. A physical detail relevant to the Savic-Kasanin theory of behaviour of materials under high pressure

    Celebonovic, V.

    1982-01-01

    P. Savic and R. Kasanin have proposed a theory of behaviour of materials under high pressure (Savic, 1981). Their theory can be applied to the explanation of the internal structures of planets and stars. The author proposes, a simple method for the calculation of the internal temperatures of the terrestrial planets. All the parameters needed for the application of the method can be obtained from the SK theory. (Auth.)

  4. Predicted crystal structures of molybdenum under high pressure

    Wang, Bing; Zhang, Guang Biao [Institute for Computational Materials Science, School of Physics and Electronics, Henan University, Kaifeng 475004 (China); Wang, Yuan Xu, E-mail: wangyx@henu.edu.cn [Institute for Computational Materials Science, School of Physics and Electronics, Henan University, Kaifeng 475004 (China); Guizhou Provincial Key Laboratory of Computational Nano-Material Science, Institute of Applied Physics, Guizhou Normal College, Guiyang 550018 (China)

    2013-04-15

    Highlights: ► A double-hexagonal close-packed (dhcp) structure of molybdenum is predicted. ► Calculated acoustic velocity confirms the bcc–dhcp phase transition at 660 GPa. ► The valence electrons of dhcp Mo are mostly localized in the interstitial sites. -- Abstract: The high-pressure structures of molybdenum (Mo) at zero temperature have been extensively explored through the newly developed particle swarm optimization (PSO) algorithm on crystal structural prediction. All the experimental and earlier theoretical structures were successfully reproduced in certain pressure ranges, validating our methodology in application to Mo. A double-hexagonal close-packed (dhcp) structure found by Mikhaylushkin et al. (2008) [12] is confirmed by the present PSO calculations. The lattice parameters and physical properties of the dhcp phase were investigated based on first principles calculations. The phase transition occurs only from bcc phase to dhcp phase at 660 GPa and at zero temperature. The calculated acoustic velocities also indicate a transition from the bcc to dhcp phases for Mo. More intriguingly, the calculated density of states (DOS) shows that the dhcp structure remains metallic. The calculated electron density difference (EDD) reveals that its valence electrons are localized in the interstitial regions.

  5. Band structure of CdTe under high pressure

    Jayam, Sr. Gerardin; Nirmala Louis, C.; Amalraj, A.

    2005-01-01

    The band structures and density of states of cadmium telluride (CdTe) under various pressures ranging from normal to 4.5 Mbar are obtained. The electronic band structure at normal pressure of CdTe (ZnS structure) is analyzed and the direct band gap value is found to be 1.654 eV. CdTe becomes metal and superconductor under high pressure but before that it undergoes structural phase transition from ZnS phase to NaCl phase. The equilibrium lattice constant, bulk modulus and the phase transition pressure at which the compounds undergo structural phase transition from ZnS to NaCl are predicted from the total energy calculations. The density of states at the Fermi level (N(E F )) gets enhanced after metallization, which leads to the superconductivity in CdTe. In our calculation, the metallization pressure (P M = 1.935 Mbar) and the corresponding reduced volume ((V/V 0 ) M = 0.458) are estimated. Metallization occurs via direct closing of band gap at Γ point. (author)

  6. High-pressure structural behaviour of Cu0.5Fe0.5Cr2S4

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

    2013-01-01

    -pressure behaviour. We report here the first experimental and theoretical determinations of the bulk modulus: B0=106(2)GPa and B′'0=4.0 (experimental), and B0=96GPa and B′0=3.9 (calculated). Moreover, a pressure-induced structural and electronic phase transformation occurs at 14.5GPa accompanied by a volume collapse...

  7. High-pressure structure of Pb-based relaxor ferroelectrics

    Maier, Bernd J.; Mihailova, Boriana; Paulmann, Carsten; Welsch, Anna-Maria; Bismayer, Ulrich [Mineralogisch-Petrographisches Institut, Universitaet Hamburg (Germany); Angel, Ross J. [Crystallography Laboratory, Virgina Tech, Blacksburg (United States); Marshall, William G. [ISIS Neutron Facility, STFC Rutherford Appleton Laboratory, Chilton, Didcot, Oxon (United Kingdom); Engel, Jens M. [Institut fuer Werkstoffwissenschaft, Technische Universitaet Dresden (Germany); Gospodinov, Marin [Institute of Solid State Physics, Bulgarian Academy of Sciences, Sofia (Bulgaria); Petrova, Dimitrina [Institute of Solid State Physics, Bulgarian Academy of Sciences, Sofia (Bulgaria); South-West University Neofit Rilski, Blagoevgrad (Bulgaria)

    2010-07-01

    The pressure-induced phase transitions that occur in the perovskite-type relaxor ferroelectric PbSc{sub 0.5}Ta{sub 0.5}O{sub 3} (PST) and Pb{sub 0.78}Ba{sub 0.22}Sc{sub 0.5}Ta{sub 0.5}O{sub 3} (PST-Ba) were studied with combined neutron powder diffraction and single-crystal X-ray diffraction. An increase in the intensities of h,k,l=all odd reflections is observed while the intensity of h,h,h peaks, h=2n+1, does not change with pressure, indicating a glide-plane pseudo-symmetry of the structural distortion along the left angle 111 right angle cubic directions. Rietveld refinement to the neutron powder data shows that the high-pressure phase has either R anti 3c or R anti 3 symmetry, depending on whether the presence of 1:1 octahedral cation ordering is neglected or taken into account, and comprises anti-phase octahedral tilts of type a{sup -}a{sup -}a{sup -} that continuously evolve with pressure.

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

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

    2016-02-07

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

  9. Dynamic behaviour of high-pressure natural-gas flow in pipelines

    Gato, L.M.C.; Henriques, J.C.C.

    2005-01-01

    The aim of the present study is the numerical modelling of the dynamic behaviour of high-pressure natural-gas flow in pipelines. The numerical simulation was performed by solving the conservation equations, for one-dimensional compressible flow, using the Runge-Kutta discontinuous Galerkin method, with third-order approximation in space and time. The boundary conditions were imposed using a new weak formulation based on the characteristic variables. The occurrence of pressure oscillations in natural-gas pipelines was studied as a result of the compression wave originated by the rapid closure of downstream shut-off valves. The effect of the partial reflection of pressure waves was also analyzed in the transition between pipes of different cross-sectional areas

  10. Dynamic behaviour of high-pressure natural-gas flow in pipelines

    Gato, L.M.C. [Department of Mechanical Engineering, Instituto Superior Tecnico, Technical University of Lisbon, Av. Rovisco Pais, 1049-001 Lisbon (Portugal)]. E-mail: lgato@mail.ist.utl.pt; Henriques, J.C.C. [Department of Mechanical Engineering, Instituto Superior Tecnico, Technical University of Lisbon, Av. Rovisco Pais, 1049-001 Lisbon (Portugal)]. E-mail: jcch@mail.ist.utl.pt

    2005-10-01

    The aim of the present study is the numerical modelling of the dynamic behaviour of high-pressure natural-gas flow in pipelines. The numerical simulation was performed by solving the conservation equations, for one-dimensional compressible flow, using the Runge-Kutta discontinuous Galerkin method, with third-order approximation in space and time. The boundary conditions were imposed using a new weak formulation based on the characteristic variables. The occurrence of pressure oscillations in natural-gas pipelines was studied as a result of the compression wave originated by the rapid closure of downstream shut-off valves. The effect of the partial reflection of pressure waves was also analyzed in the transition between pipes of different cross-sectional areas.

  11. The gem anvil cell: high-pressure behaviour of diamond and related materials

    Xu Jian; Mao Hokwang; Hemley, Russell J

    2002-01-01

    The moissanite anvil cell has been used to study the high-pressure behaviour of diamond. The first-order Raman shift of diamond shows a strong dependence on hydrostaticity, with very different pressure dependences observed under hydrostatic and non-hydrostatic conditions. The shift of the second-order Raman band under hydrostatic pressures was determined for the first time. Sapphire has almost no peaks above 1000 cm -1 in the Raman spectrum and no absorption in the ultraviolet range; it is therefore especially useful for studies in those spectral regions. A sapphire anvil cell was used in a study of graphite up to 24 GPa. A phase transition was found near 18 GPa, consistent with previous reports, and no peaks characteristic of diamond in the 1330 cm -1 range were found, indicating that the phase is not diamond

  12. The gem anvil cell: high-pressure behaviour of diamond and related materials

    Xu Jian; Hemley, R J

    2002-01-01

    The moissanite anvil cell has been used to study the high-pressure behaviour of diamond. The first-order Raman shift of diamond shows a strong dependence on hydrostaticity, with very different pressure dependences observed under hydrostatic and non-hydrostatic conditions. The shift of the second-order Raman band under hydrostatic pressures was determined for the first time. Sapphire has almost no peaks above 1000 cm sup - sup 1 in the Raman spectrum and no absorption in the ultraviolet range; it is therefore especially useful for studies in those spectral regions. A sapphire anvil cell was used in a study of graphite up to 24 GPa. A phase transition was found near 18 GPa, consistent with previous reports, and no peaks characteristic of diamond in the 1330 cm sup - sup 1 range were found, indicating that the phase is not diamond.

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

    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

  14. High pressure structural phase transitions of TiO2 nanomaterials

    Li Quan-Jun; Liu Bing-Bing

    2016-01-01

    Recently, the high pressure study on the TiO 2 nanomaterials has attracted considerable attention due to the typical crystal structure and the fascinating properties of TiO 2 with nanoscale sizes. In this paper, we briefly review the recent progress in the high pressure phase transitions of TiO 2 nanomaterials. We discuss the size effects and morphology effects on the high pressure phase transitions of TiO 2 nanomaterials with different particle sizes, morphologies, and microstructures. Several typical pressure-induced structural phase transitions in TiO 2 nanomaterials are presented, including size-dependent phase transition selectivity in nanoparticles, morphology-tuned phase transition in nanowires, nanosheets, and nanoporous materials, and pressure-induced amorphization (PIA) and polyamorphism in ultrafine nanoparticles and TiO 2 -B nanoribbons. Various TiO 2 nanostructural materials with high pressure structures are prepared successfully by high pressure treatment of the corresponding crystal nanomaterials, such as amorphous TiO 2 nanoribbons, α -PbO 2 -type TiO 2 nanowires, nanosheets, and nanoporous materials. These studies suggest that the high pressure phase transitions of TiO 2 nanomaterials depend on the nanosize, morphology, interface energy, and microstructure. The diversity of high pressure behaviors of TiO 2 nanomaterials provides a new insight into the properties of nanomaterials, and paves a way for preparing new nanomaterials with novel high pressure structures and properties for various applications. (topical review)

  15. Re-investigation of the crystal structure of enstatite under high-pressure conditions

    Periotto, Benedetta; Balic Zunic, Tonci; Nestola, Fabrizio

    2012-01-01

    A synthetic single crystal of pure orthoenstatite (MgSiO3, space group Pbca) has been investigated at high pressure for structural determinations by in situ single-crystal X‑ray diffraction using a diamond-anvil cell. Ten complete intensity data collections were performed up to 9.36 GPa. This study...... with different compositions. The structural evolution determined in this work confirms the high-pressure evolution found previously for other orthopyroxenes and removes some ambiguities originating from the less accurate published data on the MgSiO3 structure at high pressure. The structural compression...

  16. Structural changes and intermolecular interactions of filled ice Ic structure for hydrogen hydrate under high pressure

    Machida, S; Hirai, H; Kawamura, T; Yamamoto, Y; Yagi, T

    2010-01-01

    High-pressure experiments of hydrogen hydrate were performed using a diamond anvil cell under conditions of 0.1-44.2 GPa and at room temperature. Also, high pressure Raman studies of solid hydrogen were performed in the pressure range of 0.1-43.7 GPa. X-ray diffractometry (XRD) for hydrogen hydrate revealed that a known high-pressure structure, filled ice Ic structure, of hydrogen hydrate transformed to a new high-pressure structure at approximately 35-40 GPa. A comparison of the Raman spectroscopy of a vibron for hydrogen molecules between hydrogen hydrate and solid hydrogen revealed that the extraction of hydrogen molecules from hydrogen hydrate occurred above 20 GPa. Also, the Raman spectra of a roton revealed that the rotation of hydrogen molecules in hydrogen hydrate was suppressed at around 20 GPa and that the rotation recovered under higher pressure. These results indicated that remarkable intermolecular interactions in hydrogen hydrate between neighboring hydrogen molecules and between guest hydrogen molecules and host water molecules might occur. These intermolecular interactions could produce the stability of hydrogen hydrate.

  17. Influence of xanthan gum on the structural characteristics of myofibrillar proteins treated by high pressure.

    Villamonte, Gina; Jury, Vanessa; Jung, Stéphanie; de Lamballerie, Marie

    2015-03-01

    The effects of xanthan gum on the structural modifications of myofibrillar proteins (0.3 M NaCl, pH 6) induced by high pressure (200, 400, and 600 MPa, 6 min) were investigated. The changes in the secondary and tertiary structures of myofibrillar proteins were analyzed by circular dichroism. The protein denaturation was also evaluated by differential scanning calorimetry. Likewise, the protein surface hydrophobicity and the solubility of myofibrillar proteins were measured. High pressure (600 MPa) induced the loss of α-helix structures and an increase of β-sheet structures. However, the presence of xanthan gum hindered the former mechanism of protein denaturation by high pressure. In fact, changes in the secondary (600 MPa) and the tertiary structure fingerprint of high-pressure-treated myofibrillar proteins (400 to 600 MPa) were observed in the presence of xanthan gum. These modifications were confirmed by the thermal analysis, the thermal transitions of high-pressure (400 to 600 MPa)-treated myofibrillar proteins were modified in systems containing xanthan gum. As consequence, the high-pressure-treated myofibrillar proteins with xanthan gum showed increased solubility from 400 MPa, in contrast to high-pressure treatment (600 MPa) without xanthan gum. Moreover, the surface hydrophobicity of high-pressure-treated myofibrillar proteins was enhanced in the presence of xanthan gum. These effects could be due to the unfolding of myofibrillar proteins at high-pressure levels, which exposed sites that most likely interacted with the anionic polysaccharide. This study suggests that the role of food additives could be considered for the development of meat products produced by high-pressure processing. © 2015 Institute of Food Technologists®

  18. Phase behaviour measurements for the system (carbon dioxide + biodiesel + ethanol) at high pressures

    Araújo, Odilon A.S.; Silva, Fabiano R.; Ramos, Luiz P.; Lenzi, Marcelo K.; Ndiaye, Papa M.; Corazza, Marcos L.

    2012-01-01

    Graphical abstract: Comparison between ethyl and methyl esters in a pressure-composition of {CO 2 (1) + biodiesel(2)} at 303.15 K (triangles), 323.15 K (squares) and 343.15 K (circles). Open symbols are ethyl biodiesel (this work) and closed symbols are methyl biodiesel data by Pinto et al. Highlights: ► We measured phase behaviour for the system involving {CO 2 + biodiesel + ethanol}. ► The saturation pressures were obtained using a variable-volume view cell. ► The experimental data were modelled using PR-vdW2 and PR-WS equations of state. - Abstract: This work reports phase equilibrium measurements for binary system {CO 2 (1) + biodiesel(2)} and ternary system {CO 2 (1) + biodiesel(2) + ethanol(3)}. The biodiesel (ethyl esters) used in this work was produced from soybean oil, purified and characterised following the standard specification for subsequent use. Nowadays, great interest in biodiesel production processes at supercritical and/or pressurised solvents is observed, such as, non-catalytic supercritical biodiesel production and enzyme-catalyzed biodiesel production, besides the supercritical CO 2 can be an interesting alternative to glycerol separation in the biodiesel purification step. Towards this, the main goal of this work is to study the phase behaviour at high pressure for the binary and ternary systems involving CO 2 , biodiesel and ethanol. Experiments were carried out in a high pressure variable-volume view cell with operating temperatures ranging from (303.15 to 343.15) K and pressures up to 25 MPa. The CO 2 molar fraction ranged from 0.4213 to 0.9855 for the system {CO 2 (1) + biodiesel(2)}, 0.4263 to 0.9781 for the system {CO 2 (1) + biodiesel(2) + ethanol(3)} with a biodiesel to ethanol molar ratio of (1:3), and 0.4317 to 0.9787 for the system {CO 2 (1) + biodiesel(2) + ethanol(3)} with a biodiesel to ethanol molar ratio of (1:8). For the systems investigated, vapour–liquid (VL), liquid–liquid (LL) and vapour–liquid–liquid (VLL

  19. Structure of liquid water at high pressures and temperatures

    Eggert, J H; Loubeyre, P

    2002-01-01

    We report quantitatively accurate structure-factor and radial-distribution-function measurements of liquid water in a diamond-anvil cell (DAC) using x-ray diffraction. During the analysis of our diffraction data, we found it possible (and necessary) to also determine the density. Thus, we believe we present the first-ever diffraction-based determination of a liquid structure factor and equation of state in a DAC experiment.

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

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

    2015-01-01

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

  1. Tribocorrosion behaviour of nanostructured titanium substrates processed by high-pressure torsion

    Faghihi, S [Tissue Engineering and Biomaterials Division, National Institute of Genetic Engineering and Biotechnology (NIGEB), Room 117, Shahrak-e Pajoohesh, km 15, Tehran-Karaj Highway, Tehran, PO Box 14965/161 (Iran, Islamic Republic of); Li, D [Department of Engineering Physics, Ecole Polytechnique, Montreal, QC, H3C 3A7 (Canada); Szpunar, J A, E-mail: sfaghihi@nigeb.ac.ir [Department of Mechanical Engineering, University of Saskatchewan, 57 Campus Drive, Saskatoon, SK, S7N 5A9 (Canada)

    2010-12-03

    Aseptic loosening induced by wear particles from artificial bearing materials is one of the main causes of malfunctioning in total hip replacements. With the increase in young and active patients, complications in revision surgeries and immense health care costs, there is considerable interest in wear-resistant materials that can endure longer in the harsh and corrosive body environment. Here, the tribological behaviour of nanostructured titanium substrates processed by high-pressure torsion (HPT) is investigated and compared with the coarse-grained samples. The high resolution transmission electron microscopy reveals that a nanostructured sample has a grain size of 5-10 nm compared to that of {approx} 10 {mu}m and {approx} 50 {mu}m for untreated and annealed substrates, respectively. Dry and wet wear tests were performed using a linear reciprocating ball-on-flat tribometer. Nanostructured samples show the best dry wear resistance and the lowest wear rate in the electrolyte. There was significantly lower plastic deformation and no change in preferred orientation of nanostructured samples attributable to the wear process. Electrochemical impedance spectroscopy (EIS) shows lower corrosion resistance for nanostructured samples. However, under the action of both wear and corrosion the nanostructured samples show superior performance and that makes them an attractive candidate for applications in which wear and corrosion act simultaneously.

  2. Tribocorrosion behaviour of nanostructured titanium substrates processed by high-pressure torsion

    Faghihi, S; Li, D; Szpunar, J A

    2010-01-01

    Aseptic loosening induced by wear particles from artificial bearing materials is one of the main causes of malfunctioning in total hip replacements. With the increase in young and active patients, complications in revision surgeries and immense health care costs, there is considerable interest in wear-resistant materials that can endure longer in the harsh and corrosive body environment. Here, the tribological behaviour of nanostructured titanium substrates processed by high-pressure torsion (HPT) is investigated and compared with the coarse-grained samples. The high resolution transmission electron microscopy reveals that a nanostructured sample has a grain size of 5-10 nm compared to that of ∼ 10 μm and ∼ 50 μm for untreated and annealed substrates, respectively. Dry and wet wear tests were performed using a linear reciprocating ball-on-flat tribometer. Nanostructured samples show the best dry wear resistance and the lowest wear rate in the electrolyte. There was significantly lower plastic deformation and no change in preferred orientation of nanostructured samples attributable to the wear process. Electrochemical impedance spectroscopy (EIS) shows lower corrosion resistance for nanostructured samples. However, under the action of both wear and corrosion the nanostructured samples show superior performance and that makes them an attractive candidate for applications in which wear and corrosion act simultaneously.

  3. Tribocorrosion behaviour of nanostructured titanium substrates processed by high-pressure torsion

    Faghihi, S.; Li, D.; Szpunar, J. A.

    2010-12-01

    Aseptic loosening induced by wear particles from artificial bearing materials is one of the main causes of malfunctioning in total hip replacements. With the increase in young and active patients, complications in revision surgeries and immense health care costs, there is considerable interest in wear-resistant materials that can endure longer in the harsh and corrosive body environment. Here, the tribological behaviour of nanostructured titanium substrates processed by high-pressure torsion (HPT) is investigated and compared with the coarse-grained samples. The high resolution transmission electron microscopy reveals that a nanostructured sample has a grain size of 5-10 nm compared to that of ~ 10 µm and ~ 50 µm for untreated and annealed substrates, respectively. Dry and wet wear tests were performed using a linear reciprocating ball-on-flat tribometer. Nanostructured samples show the best dry wear resistance and the lowest wear rate in the electrolyte. There was significantly lower plastic deformation and no change in preferred orientation of nanostructured samples attributable to the wear process. Electrochemical impedance spectroscopy (EIS) shows lower corrosion resistance for nanostructured samples. However, under the action of both wear and corrosion the nanostructured samples show superior performance and that makes them an attractive candidate for applications in which wear and corrosion act simultaneously.

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

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

    2008-01-01

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

  5. Size-dependent structure of silver nanoparticles under high pressure

    Koski, Kristie Jo [Univ. of California, Berkeley, CA (United States)

    2008-12-31

    Silver noble metal nanoparticles that are<10 nm often possess multiply twinned grains allowing them to adopt shapes and atomic structures not observed in bulk materials. The properties exhibited by particles with multiply twinned polycrystalline structures are often far different from those of single-crystalline particles and from the bulk. I will present experimental evidence that silver nanoparticles<10 nm undergo a reversible structural transformation under hydrostatic pressures up to 10 GPa. Results for nanoparticles in the intermediate size range of 5 to 10 nm suggest a reversible linear pressure-dependent rhombohedral distortion which has not been previously observed in bulk silver. I propose a mechanism for this transitiion that considers the bond-length distribution in idealized multiply twinned icosahedral particles. Results for nanoparticles of 3.9 nm suggest a reversible linear pressure-dependent orthorhombic distortion. This distortion is interpreted in the context of idealized decahedral particles. In addition, given these size-dependent measurements of silver nanoparticle compression with pressure, we have constructed a pressure calibration curve. Encapsulating these silver nanoparticles in hollow metal oxide nanospheres then allows us to measure the pressure inside a nanoshell using x-ray diffraction. We demonstrate the measurement of pressure gradients across nanoshells and show that these nanoshells have maximum resolved shear strengths on the order of 500 MPa to IGPa.

  6. Hulls and structural material waste conditioning by high pressure compaction

    Frotscher, H.

    1991-01-01

    Since 1986 KfK is developing a conditioning process. Main subjects of the investigations were the development of the production technique and the planning of the most important equipments of the process under remote conditions. The process is based on an extensive program of experiments. Inactive bulks of hulls and structural material components were compacted using maximum axial pressure load of about 300 MPa. The product density as function of press force was experimentally determinated. The mechanical loads of the press and tools were estimated for the design of these equipments. The hydraulic press consists a horizontal four-cylinder press. The maximum force of the press is 25 MN. The main advantage is the modular design of the press which is open on all sides. Especially the free accessibility from top is ensured. The report also represents relevant radiological data of the alternative product. Co-60 is the dominating activity of the product due to the effects of the heat production. An amount of 10 kg hull waste or 25 kg top and bottom pieces of the spent fuel assemblies per package is already beyond the Co-60 limit of the KONRAD regulations. The nuclear thermal power of a filled container is approximately sixty times lower compared with a vitrified HLW-container. Since the product shows thermal stability beyond 200 0 C, this it is suited for a combined disposal together with vitrified HLW-containers in salt bore holes of a geological disposal. The preliminary cost evaluation is based on a reprocessing throughput of 500 t HM per year and volume reduction factor of 5.3. Accordingly there are produced 300 waste packages with hulls only or 625 units with hulls and top and bottom pieces which require 1.6 or 2.3 millions DM respectively

  7. High-pressure U3O8 with the fluorite-type structure

    Zhang, F.X.; Lang, M.; Wang, J.W.; Li, W.X.; Sun, K.; Prakapenka, V.; Ewing, R.C.

    2014-01-01

    A new high-pressure phase of U 3 O 8 , which has a fluorite-type structure, forms at pressures greater than ∼8.1 GPa that was confirmed by in situ x-ray diffraction (XRD) measurements. The fluorite-type U 3 O 8 is stable at pressures at least up to ∼40 GPa and temperatures to 1700 K, and quenchable to ambient conditions. Based on the XRD analysis, there is a huge volume collapse (>20%) for U 3 O 8 during the phase transition and the quenched high-pressure phase is 28% denser than the initial orthorhombic phase at ambient conditions. The high-pressure phase has a very low compressibility comparing with the starting orthorhombic phase. - Graphical abstract: α-U 3 O 8 is in a layered structure with orthorhombic symmetry, at high pressures, it transformed to a fluorite-type cubic structure. There are a lot of defects in the cubic structure, and it is a new kind of hyperstoichiometric uranium oxide, which is stable at ambient conditions. - Highlights: • A new fluorite-type high-pressure phase was found in hyperstoichometric UO 2 +x (x∼0.8). • The new high-pressure structure is quenchable to ambient conditions. • Pressure driven phase transition in orthorhombic U 3 O 8 was first found

  8. Electronic structure and high pressure phase transition in LaSb and CeSb

    Mathi Jaya, S.; Sanyal, S.P.

    1992-09-01

    The electronic structure and high pressure structural phase transition in cerium and lanthanum antimonides have been investigated using the tight binding LMTO method. The calculation of total energy reveals that the simple tetragonal structure is found to be stable at high pressures for both the compounds. In the case of LaSb, the calculated value of the equilibrium cell volume and the cell volume at which phase transition occurs are found to have a fairly good agreement with the experimental results. However, in the case of CeSb, the agreement is not as good as in LaSb. We also predicted the most favoured c/a value in the high pressure phase (simple tetragonal) for these compounds. Further we present the calculated results on the electronic structure of these systems at the equilibrium as well as at the reduced cell volumes. (author). 8 refs, 11 figs, 1 tab

  9. Band structure and phonon properties of lithium fluoride at high pressure

    Panchal, J. M., E-mail: amitjignesh@yahoo.co.in [Government Engineering College, Gandhinagar 382028, Gujarat (India); Department of Physics, University School of Sciences, Gujarat University, Ahmedabad 380009, Gujarat (India); Joshi, Mitesh [Government Polytechnic for Girls, Athwagate, Surat395001, Gujarat (India); Gajjar, P. N., E-mail: pngajjar@rediffmail.com [Department of Physics, University School of Sciences, Gujarat University, Ahmedabad 380009, Gujarat (India)

    2016-05-23

    High pressure structural and electronic properties of Lithium Fluoride (LiF) have been studied by employing an ab-initio pseudopotential method and a linear response scheme within the density functional theory (DFT) in conjunction with quasi harmonic Debye model. The band structure and electronic density of states conforms that the LiF is stable and is having insulator behavior at ambient as well as at high pressure up to 1 Mbar. Conclusions based on Band structure, phonon dispersion and phonon density of states are outlined.

  10. Band structure and phonon properties of lithium fluoride at high pressure

    Panchal, J. M.; Joshi, Mitesh; Gajjar, P. N.

    2016-01-01

    High pressure structural and electronic properties of Lithium Fluoride (LiF) have been studied by employing an ab-initio pseudopotential method and a linear response scheme within the density functional theory (DFT) in conjunction with quasi harmonic Debye model. The band structure and electronic density of states conforms that the LiF is stable and is having insulator behavior at ambient as well as at high pressure up to 1 Mbar. Conclusions based on Band structure, phonon dispersion and phonon density of states are outlined.

  11. Electronic structure and superconductivity of divalent metals under very high pressure

    Bireckoven, B.

    1987-05-01

    A single crystal, high-pressure diamond cell has been developed for the study of superconductors under pressures to over 50 GPa. A high sensitivity AC-SQUID magnetometer has been employed to detect the diamagnetic response of the very small samples at T C . The T C (p)-dependence of the lead-manometer has been calibrated against the ruby-pressure-scale up to pressures of 30 GPa. In spite of the well-known fcc/hcp-transition at 13 GPa lead shows a smooth T C (p)-behaviour and thus is a very suitable manometer. Band structure calculations for the alkaline earth metals indicate an appreciable s-to-d transfer with increasing pressure. In fact, superconductivity was previously observed in the pressure induced d-transition metals Sr and Ba (however not yet in Ca). For the first time the author presents a quantitative investigation of T C as a function of p up to 50 GPa. Both elements turn out to be ''good'' superconductors featuring T C 's of about 7 K. The possibility of a generalized phase diagram for the alkaline earth metals will be critically discussed. At any rate, the occurrence of such high T C 's is rather strong evidence for a substantial d-transition metal character at high p. Investigations of very dilute BaEu-alloys up to 45 GPa reveal a strong monotonic increase of ΔT C = T C Ba -T C BaEu . (orig./GSCH)

  12. On the use of distorted fcc structures for describing high-pressure phases

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

    1986-01-01

    The paper describes distorted lattices that can be derived from the face-centred cubic Bravais lattice. Crystallographic principles are outlined and it is discussed how various lattices can be identified from the observed splitting of X-ray powder diffraction lines. Examples are taken from recent high-pressure studies of actinide rocksalt structure compounds and cerium metal. (orig.)

  13. Utilizing High Pressure Processing to Induce Structural Changes in Dairy and Meat Products

    Orlien, Vibeke

    2017-01-01

    High pressure (HP) is capable of modifying the functional properties of milk and meat proteins by pressure-induced changes of the molecular structure. Therefore, HP treatment of milk and meat has been extensively investigated to understand, clarify, and utilize HP processing in the food industry....

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

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

    2011-01-01

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

  15. Crystal Structure and Superconductivity of PH 3 at High Pressures

    Liu, Hanyu [Geophysical; Department; Li, Yinwei [School; Gao, Guoying [State; Tse, John S. [Department; State; Naumov, Ivan I. [Geophysical

    2016-02-04

    We have performed a systematic structure search on solid PH3 at high pressures using the particle swarm optimization method. At 100–200 GPa, the search led to two structures which along with others have P–P bonds. These structures are structurally and chemically distinct from those predicted for the high-pressure superconducting H2S phase, which has a different topology (i.e., does not contain S–S bonds). Phonon and electron–phonon coupling calculations indicate that both structures are dynamically stable and superconducting. The pressure dependence and critical temperature for the monoclinic (C2/m) phase of 83 K at 200 GPa are in excellent agreement with a recent experimental report.

  16. High-pressure effects on cooking loss and histological structure of beef muscle

    Liu, Anjun; Zhan, Hu; Zheng, Jie; Liu, Dongyue; Jia, Peiqi

    2010-12-01

    In this study, we investigate the effects of high pressures (up to 600 MPa) applied at room temperature for 10 min on beef cooking loss and structure. The data on cooking loss, pH and protein solubility, as well as the electron microscopy, illustrate the changes in cooking loss and structure with high pressure processing (HPP). There is a significant reduction in cooking loss of beef with HPP. When the beef sample is imposed upon by 300 or 400 MPa, the cooking loss reduction is about 12%. Further, the pH of beef is dramatically increased as the pressure increases, and the pH increases by about 5% when imposed upon by 500 MPa. When a high pressure was applied at room temperature, the structure of the beef tissue apparently changed. Muscle fiber fragments gradually became slender and sarcomeres became lengthened. Our data indicated that high-pressure treatment on beef leads to stretching of the muscle fiber and an increase in the water-holding capacity.

  17. Role of structural barriers for carotenoid bioaccessibility upon high pressure homogenization.

    Palmero, Paola; Panozzo, Agnese; Colle, Ines; Chigwedere, Claire; Hendrickx, Marc; Van Loey, Ann

    2016-05-15

    A specific approach to investigate the effect of high pressure homogenization on the carotenoid bioaccessibility in tomato-based products was developed. Six different tomato-based model systems were reconstituted in order to target the specific role of the natural structural barriers (chromoplast substructure/cell wall) and of the phases (soluble/insoluble) in determining the carotenoid bioaccessibility and viscosity changes upon high pressure homogenization. Results indicated that in the absence of natural structural barriers (carotenoid enriched oil), the soluble and insoluble phases determined the carotenoid bioaccessibility upon processing whereas, in their presence, these barriers governed the bioaccessibility. Furthermore, it was shown that the increment of the viscosity upon high pressure homogenization is determined by the presence of insoluble phase, however, this result was related to the initial ratio of the soluble:insoluble phases in the system. In addition, no relationship between the changes in viscosity and carotenoid bioaccessibility upon high pressure homogenization was found. Copyright © 2015 Elsevier Ltd. All rights reserved.

  18. High pressure metallization of Mott Insulators: Magnetic, structural and electronic properties

    Pasternak, M.P.; Hearne, G.; Sterer, E.; Taylor, R.D.; Jeanloz, R.

    1993-01-01

    High pressure studies of the insulator-metal transition in the (TM)I 2 (TM = V, Fe, Co and Ni) compounds are described. Those divalent transition-metal iodides are structurally isomorphous and classified as Mott Insulators. Resistivity, X-ray diffraction and Moessbauer Spectroscopy were employed to investigate the electronic, structural, and magnetic properties as a function of pressure both on the highly correlated and on the metallic regimes

  19. Electronic and structural ground state of heavy alkali metals at high pressure

    Fabbris, G.; Lim, J.; Veiga, L. S. I.; Haskel, D.; Schilling, J. S.

    2015-02-01

    Alkali metals display unexpected properties at high pressure, including emergence of low-symmetry crystal structures, which appear to occur due to enhanced electronic correlations among the otherwise nearly free conduction electrons. We investigate the high-pressure electronic and structural ground state of K, Rb, and Cs using x-ray absorption spectroscopy and x-ray diffraction measurements together with a b i n i t i o theoretical calculations. The sequence of phase transitions under pressure observed at low temperature is similar in all three heavy alkalis except for the absence of the o C 84 phase in Cs. Both the experimental and theoretical results point to pressure-enhanced localization of the valence electrons characterized by pseudogap formation near the Fermi level and strong s p d hybridization. Although the crystal structures predicted to host magnetic order in K are not observed, the localization process appears to drive these alkalis closer to a strongly correlated electron state.

  20. Local structures of ionic liquids in the presence of gold under high pressures

    Hai-Chou Chang

    2013-03-01

    Full Text Available The interactions between ionic liquid ([EMI][TFS] and gold surfaces have been investigated via the application of pressures up to ca. 2 GPa. Comparing the spectral features of [EMI][TFS]/gold with those of pure [EMI][TFS], no appreciable changes of C-H bands in the presence of gold powders were observed under ambient pressure. Nevertheless, the imidazolium C-H bands display red shifts in frequency as the [EMI][TFS] / Au mixture was compressed to the pressure above 1.4 GPa and a new alkyl C-H band at ca. 3016 cm−1 was also revealed. These spectral changes, being related to the addition of gold powders and pressure elevation, should be attributed to the local structural changes of C-H groups caused by pressure-enhanced interfacial interactions between [EMI][TFS] and Au. Gold powders tend to induce the changes in hydrogen bonding structures of imidazolium C2-H group under high pressures. The pressure-dependent spectral features in the asymmetric SO3 stretching region display band-narrowing and minor local structural changes induced by the presence of gold particles under high pressures. These observations suggest that Au powders perturb structural equilibrium of C-H groups of cations under high pressures.

  1. High-Pressure-Driven Reversible Dissociation of α-Synuclein Fibrils Reveals Structural Hierarchy.

    Piccirilli, Federica; Plotegher, Nicoletta; Ortore, Maria Grazia; Tessari, Isabella; Brucale, Marco; Spinozzi, Francesco; Beltramini, Mariano; Mariani, Paolo; Militello, Valeria; Lupi, Stefano; Perucchi, Andrea; Bubacco, Luigi

    2017-10-17

    The analysis of the α-synuclein (aS) aggregation process, which is involved in Parkinson's disease etiopathogenesis, and of the structural feature of the resulting amyloid fibrils may shed light on the relationship between the structure of aS aggregates and their toxicity. This may be considered a paradigm of the ground work needed to tackle the molecular basis of all the protein-aggregation-related diseases. With this aim, we used chemical and physical dissociation methods to explore the structural organization of wild-type aS fibrils. High pressure (in the kbar range) and alkaline pH were used to disassemble fibrils to collect information on the hierarchic pathway by which distinct β-sheets sequentially unfold using the unique possibility offered by high-pressure Fourier transform infrared spectroscopy. The results point toward the formation of kinetic traps in the energy landscape of aS fibril disassembly and the presence of transient partially folded species during the process. Since we found that the dissociation of wild-type aS fibrils by high pressure is reversible upon pressure release, the disassembled molecules likely retain structural information that favors fibril reformation. To deconstruct the role of the different regions of aS sequence in this process, we measured the high-pressure dissociation of amyloids formed by covalent chimeric dimers of aS (syn-syn) and by the aS deletion mutant that lacks the C-terminus, i.e., aS (1-99). The results allowed us to single out the role of dimerization and that of the C-terminus in the complete maturation of fibrillar aS. Copyright © 2017 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  2. Electron spin transition causing structure transformations of earth's interiors under high pressure

    Yamanaka, T.; Kyono, A.; Kharlamova, S.; Alp, E.; Bi, W.; Mao, H.

    2012-12-01

    To elucidate the correlation between structure transitions and spin state is one of the crucial problems for understanding the geophysical properties of earth interiors under high pressure. High-pressure studies of iron bearing spinels attract extensive attention in order to understand strong electronic correlation such as the charge transfer, electron hopping, electron high-low spin transition, Jahn-Teller distortion and charge disproponation in the lower mantle or subduction zone [1]. Experiment Structure transitions of Fe3-xSixO4, Fe3-xTixO4 Fe3-xCrxO4 spinel solid solution have been investigated at high pressure up to 60 GPa by single crystal and powder diffraction studies using synchrotron radiation with diamond anvil cell. X-ray emission experiment (XES) at high pressure proved the spin transition of Fe-Kβ from high spin (HS) to intermediate spin state (IS) or low spin state (LS). Mössbauer experiment and Raman spectra study have been also conducted for deformation analysis of Fe site and confirmation of the configuration change of Fe atoms. Jahn-Teller effect A cubic-to-tetragonal transition under pressure was induced by Jahn-Teller effect of IVFe2+ (3d6) in the tetrahedral site of Fe2TiO4 and FeCr2O4, providing the transformation from 43m (Td) to 42m (D2d). Tetragonal phase is formed by the degeneracy of e orbital of Fe2+ ion. Their c/a ratios are c/adisordered in the M2 site. At pressures above 53 GPa, Fe2TiO4 structure further transforms to Pmma. This structure change results in the order-disorder transition [2]. New structure of Fe2SiO4 The spin transition exerts an influence to Fe2SiO4 spinel structure and triggers two distinct curves of the lattice constant in the spinel phase. The reversible structure transition from cubic to pseudo-rhombohedral phase was observed at about 45 GPa. This transition is induced by the 20% shrinkage of ionic radius of VIFe2+at the low sin state. Laser heating experiment at 1500 K has confirmed the decomposition from the

  3. Structure and Stability of High-Pressure Dolomite with Implications for the Earth's Deep Carbon Cycle

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

    2014-12-01

    Carbon is subducted into the mantle primarily in the form of metasomatically calcium-enriched basaltic rock, calcified serpentinites and carbonaceous ooze. The fate of these carbonates in subduction zones is not well understood. End-member CaMg(CO3)2 dolomite typically breaks down into two carbonates at 2-7 GPa, which may further decompose to oxides and CO2-bearing fluid. However, high-pressure X-ray diffraction experiments have recently shown that the presence of iron may be sufficient to stabilize dolomite I to high pressures, allowing the transformation to dolomite II at 17 GPa and subsequently to dolomite III at 35 GPa [1][2]. Such phases may be a principal host for deeply subducted carbon. The structure and equation of state of these high-pressure phases is debated and the effect of varying concentrations of iron is unknown, creating a need for theoretical calculations. Here we compare calculated dolomite structures to experimentally observed phases. Using the Vienna ab-initio simulation package (VASP) interfaced with a genetic algorithm that predicts crystal structures (USPEX), a monoclinic phase with space group 5 ("dolomite sg5") was found for pure end-member dolomite. Dolomite sg5 has a lower energy than reported dolomite structures and an equation of state that resembles that of dolomite III. It is possible that dolomite sg5 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. Due to the complex energy landscape for candidate high-pressure dolomite structures, it is likely that several competing polymorphs exist. Determining the behavior of high-pressure Ca-Mg-Fe(-Mn) dolomite phases in subduction environments is critical for our understanding of the Earth's deep carbon cycle and supercell calculations with Fe substitution are in progress. [1] Mao, Z., Armentrout, M., Rainey, E., Manning, C. E., Dera, P., Prakapenka, V. B., and Kavner, A

  4. Exploring high-pressure FeB{sub 2}: Structural and electronic properties predictions

    Harran, Ismail [School of Physical Science and Technology, Key Laboratory of Advanced Technologies of Materials, Ministry of Education of China, Southwest Jiaotong University, Chengdu, 610031 (China); Al Fashir University (Sudan); Wang, Hongyan [School of Physical Science and Technology, Key Laboratory of Advanced Technologies of Materials, Ministry of Education of China, Southwest Jiaotong University, Chengdu, 610031 (China); Chen, Yuanzheng, E-mail: cyz@calypso.org.cn [School of Physical Science and Technology, Key Laboratory of Advanced Technologies of Materials, Ministry of Education of China, Southwest Jiaotong University, Chengdu, 610031 (China); Jia, Mingzhen [School of Physical Science and Technology, Key Laboratory of Advanced Technologies of Materials, Ministry of Education of China, Southwest Jiaotong University, Chengdu, 610031 (China); Wu, Nannan [School of Mathematics, Physics and Biological Engineering, Inner Mongolia University of Science & Technology, Baotou, 014010 (China)

    2016-09-05

    The high pressure (HP) structural phase of FeB{sub 2} compound is investigated by using first-principles crystal structure prediction based on the CALYPSO technique. A thermodynamically stable phase of FeB{sub 2} with space group Imma is predicted at pressure above 225 GPa, which is characterized by a layered orthorhombic structure containing puckered graphite-like boron layers. Its electronic and mechanical properties are identified and analyzed. The feature of band structures favors the occurrence of superconductivity, whereas, the calculated Pugh's ratio reveals that the HP Imma structure exhibits ductile mechanical property. - Highlights: • The high pressure structural phase of FeB{sub 2} compound is firstly investigated by the CALYPSO technique. • A thermodynamically stable Imma phase of FeB{sub 2} is predicted at pressure above 225 GPa. • The Imma structure is characterized by a 2D boron network containing puckered graphite-like boron layers. • The band feature of Imma structure favors the occurrence of superconductivity. • The calculated Pugh's ratio suggests that the Imma structure exhibits ductile mechanical property.

  5. Burning Behaviour of High-Pressure CH4-H2-Air Mixtures

    Jacopo D'Alessio

    2013-01-01

    Full Text Available Experimental characterization of the burning behavior of gaseous mixtures has been carried out, analyzing spherical expanding flames. Tests were performed in the Device for Hydrogen-Air Reaction Mode Analysis (DHARMA laboratory of Istituto Motori—CNR. Based on a high-pressure, constant-volume bomb, the activity is aimed at populating a systematic database on the burning properties of CH4, H2 and other species of interest, in conditions typical of internal combustion (i.c. engines and gas turbines. High-speed shadowgraph is used to record the flame growth, allowing to infer the laminar burning parameters and the flame stability properties. Mixtures of CH4, H2 and air have been analyzed at initial temperature 293÷305 K, initial pressure 3÷18 bar and equivalence ratio  = 1.0. The amount of H2 in the mixture was 0%, 20% and 30% (vol.. The effect of the initial pressure and of the Hydrogen content on the laminar burning velocity and the Markstein length has been evaluated: the relative weight and mutual interaction has been assessed of the two controlling parameters. Analysis has been carried out of the flame instability, expressed in terms of the critical radius for the onset of cellularity, as a function of the operating conditions.

  6. Structural phase transitions in Zn(CN)2 under high pressures

    Poswal, H.K.; Tyagi, A.K.; Lausi, Andrea; Deb, S.K.; Sharma, Surinder M.

    2009-01-01

    High pressure behavior of zinc cyanide (Zn(CN) 2 ) has been investigated with the help of synchrotron-based X-ray diffraction measurements. Our studies reveal that under pressure this compound undergoes phase transformations and the structures of the new phases depend on whether the pressure is hydrostatic or not. Under hydrostatic conditions, Zn(CN) 2 transforms from cubic to orthorhombic to cubic-II to amorphous phases. In contrast, the non-hydrostatic pressure conditions drive the ambient cubic phase to a partially disordered crystalline phase, which eventually evolves to a substantially disordered phase. The final disordered phase in the latter case is distinct from the amorphous phase observed under the hydrostatic pressures. - Graphical abstract: High pressure X-ray diffraction investigations on Zn(CN) 2 show three phase transformations i.e., cubic→orthorhombic→cubic-II→amorphous. However, the results strongly depend upon the nature of stress

  7. Theoretical prediction of the structural properties of uranium chalcogenides under high pressure

    Kapoor, Shilpa; Yaduvanshi, Namrata; Singh, Sadhna

    2018-05-01

    Uranium chalcogenides crystallize in rock salt structure at normal condition and transform to Cesium Chloride structure at high pressure. We have investigated the transition pressure and volume drop of USe and UTe using three body potential model (TBIP). Present model includes long range Columbic, three body interaction forces and short range overlap forces operative up to next nearest neighbors. We have reported the phase transition pressure, relative volume collapses, the thermo physical properties such as molecular force constant (f), infrared absorption frequency (v0), Debye temperature (θD) and Gruneisen parameter (γ) of present chalcogenides and found that our results in general good agreement with experimental and other theoretical data.

  8. Introduction to Superconducting RF Structures and the Effect of High Pressure Rinsing

    Tajima, Tsuyoshi [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2016-06-30

    This presentation begins by describing RF superconductivity and SRF accelerating structures. Then the use of superconducting RF structures in a number of accelerators around the world is reviewed; for example, the International Linear Collider (ILC) will use ~16,000 SRF cavities with ~2,000 cryomodules to get 500 GeV e⁺/e⁻ colliding energy. Field emission control was (and still is) a very important practical issue for SRF cavity development. It has been found that high-pressure ultrapure water rinsing as a final cleaning step after chemical surface treatment resulted in consistent performance of single- and multicell superconducting cavities.

  9. Introduction to Superconducting RF Structures and the Effect of High Pressure Rinsing

    Tajima, Tsuyoshi

    2016-01-01

    This presentation begins by describing RF superconductivity and SRF accelerating structures. Then the use of superconducting RF structures in a number of accelerators around the world is reviewed; for example, the International Linear Collider (ILC) will use ~16,000 SRF cavities with ~2,000 cryomodules to get 500 GeV e@@@/e@@@ colliding energy. Field emission control was (and still is) a very important practical issue for SRF cavity development. It has been found that high-pressure ultrapure water rinsing as a final cleaning step after chemical surface treatment resulted in consistent performance of single- and multicell superconducting cavities.

  10. High-pressure structural and elastic properties of Tl₂O₃

    Gomis, O., E-mail: osgohi@fis.upv.es; Vilaplana, R. [Centro de Tecnologías Físicas, MALTA Consolider Team, Universitat Politècnica de València, 46022 València (Spain); Santamaría-Pérez, D. [Departamento de Física Aplicada-ICMUV, MALTA Consolider Team, Universidad de Valencia, Edificio de Investigación, C/Dr. Moliner 50, 46100 Burjassot (Spain); Earth Sciences Department, University College London, Gower Street, WC1E 6BT London (United Kingdom); Ruiz-Fuertes, J. [Departamento de Física Aplicada-ICMUV, MALTA Consolider Team, Universidad de Valencia, Edificio de Investigación, C/Dr. Moliner 50, 46100 Burjassot (Spain); Geowissenschaften, Goethe-Universität, Altenhöferallee 1, 60438 Frankfurt am Main (Germany); Sans, J. A.; Manjón, F. J.; Mollar, M. [Instituto de Diseño para la Fabricación y Producción Automatizada, MALTA Consolider Team, Universitat Politècnica de València, 46022 València (Spain); and others

    2014-10-07

    The structural properties of Thallium (III) oxide (Tl₂O₃) have been studied both experimentally and theoretically under compression at room temperature. X-ray powder diffraction measurements up to 37.7 GPa have been complemented with ab initio total-energy calculations. The equation of state of Tl₂O₃ has been determined and compared to related compounds. It has been found experimentally that Tl₂O₃ remains in its initial cubic bixbyite-type structure up to 22.0 GPa. At this pressure, the onset of amorphization is observed, being the sample fully amorphous at 25.2 GPa. The sample retains the amorphous state after pressure release. To understand the pressure-induced amorphization process, we have studied theoretically the possible high-pressure phases of Tl₂O₃. Although a phase transition is theoretically predicted at 5.8 GPa to the orthorhombic Rh₂O₂-II-type structure and at 24.2 GPa to the orthorhombic α-Gd₂S₃-type structure, neither of these phases were observed experimentally, probably due to the hindrance of the pressure-driven phase transitions at room temperature. The theoretical study of the elastic behavior of the cubic bixbyite-type structure at high-pressure shows that amorphization above 22 GPa at room temperature might be caused by the mechanical instability of the cubic bixbyite-type structure which is theoretically predicted above 23.5 GPa.

  11. Unraveling Crystalline Structure of High-Pressure Phase of Silicon Carbonate

    Rulong Zhou

    2014-03-01

    Full Text Available Although CO_{2} and SiO_{2} both belong to group-IV oxides, they exhibit remarkably different bonding characteristics and phase behavior at ambient conditions. At room temperature, CO_{2} is a gas, whereas SiO_{2} is a covalent solid with rich polymorphs. A recent successful synthesis of the silicon-carbonate solid from the reaction between CO_{2} and SiO_{2} under high pressure [M. Santoro et al., Proc. Natl. Acad. Sci. U.S.A. 108, 7689 (2011] has resolved a long-standing puzzle regarding whether a Si_{x}C_{1−x}O_{2} compound between CO_{2} and SiO_{2} exists in nature. Nevertheless, the detailed atomic structure of the Si_{x}C_{1−x}O_{2} crystal is still unknown. Here, we report an extensive search for the high-pressure crystalline structures of the Si_{x}C_{1−x}O_{2} compound with various stoichiometric ratios (SiO_{2}:CO_{2} using an evolutionary algorithm. Based on the low-enthalpy structures obtained for each given stoichiometric ratio, several generic structural features and bonding characteristics of Si and C in the high-pressure phases are identified. The computed formation enthalpies show that the SiC_{2}O_{6} compound with a multislab three-dimensional (3D structure is energetically the most favorable at 20 GPa. Hence, a stable crystalline structure of the elusive Si_{x}C_{1−x}O_{2} compound under high pressure is predicted and awaiting future experimental confirmation. The SiC_{2}O_{6} crystal is an insulator with elastic constants comparable to typical hard solids, and it possesses nearly isotropic tensile strength as well as extremely low shear strength in the 2D plane, suggesting that the multislab 3D crystal is a promising solid lubricant. These valuable mechanical and electronic properties endow the SiC_{2}O_{6} crystal for potential applications in tribology and nanoelectronic devices, or as a stable solid-state form for CO_{2} sequestration.

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

    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.

  13. Structural and Transport Properties of the Weyl Semimetal NbAs at High Pressure

    Zhang Jun; Liu Feng-Liang; Dong Jin-Kui; Xu Yang; Li Shi-Yan; Li Na-Na; Yang Wen-Ge

    2015-01-01

    We perform a series of high-pressure synchrotron x-ray diffraction (XRD) and resistance measurements on the Weyl semimetal NbAs. The crystal structure remains stable up to 26 GPa according to the powder XRD data. The resistance of NbAs single crystal increases monotonically with pressure at low temperature. Up to 20 GPa, no superconducting transition is observed down to 0.3 K. These results show that the Weyl semimetal phase is robust in NbAs, and applying pressure may not be a good way to obtain a topological superconductor from Weyl semimetal NbAs. (paper)

  14. High pressure and temperature induced structural and elastic properties of lutetium chalcogenides

    Shriya, S.; Kinge, R.; Khenata, R.; Varshney, Dinesh

    2018-04-01

    The high-pressure structural phase transition and pressure as well temperature induced elastic properties of rock salt to CsCl structures in semiconducting LuX (X = S, Se, and Te) chalcogenides compound have been performed using effective interionic interaction potential with emphasis on charge transfer interactions and covalent contribution. Estimated values of phase transition pressure and the volume discontinuity in pressure-volume phase diagram indicate the structural phase transition from ZnS to NaCl structure. From the investigations of elastic constants the pressure (temperature) dependent volume collapse/expansion, melting temperature TM, Hardness (HV), and young modulus (E) the LuX lattice infers mechanical stiffening, and thermal softening.

  15. In situ structural analysis of calcium aluminosilicate glasses under high pressure.

    Muniz, R F; de Ligny, D; Martinet, C; Sandrini, M; Medina, A N; Rohling, J H; Baesso, M L; Lima, S M; Andrade, L H C; Guyot, Y

    2016-08-10

    In situ micro-Raman spectroscopy was used to investigate the structural evolution of OH(-)-free calcium aluminosilicate glasses, under high pressure and at room temperature. Evaluation was made of the role of the SiO2 concentration in percalcic join systems, for Al/(Al  +  Si) in the approximate range from 0.9 to 0.2. Under high pressure, the intensity of the main band related to the bending mode of bridging oxygen ([Formula: see text][T-O-T], where T  =  Si or Al) decreased gradually, suggesting that the bonds were severely altered or even destroyed. In Si-rich glasses, compression induced a transformation of Q (n) species to Q (n-1). In the case of Al-rich glass, the Al in the smallest Q (n) units evolved from tetrahedral to higher-coordinated Al (([5])Al and ([6])Al). Permanent structural changes were observed in samples recovered from the highest pressure of around 15 GPa and, particularly for Si-rich samples, the recovered structure showed an increase of three-membered rings in the Si/Al tetrahedral network.

  16. Understanding anode and cathode behaviour in high-pressure discharge lamps

    Flesch, P.; Neiger, M.

    2005-09-01

    High-intensity discharge (HID) lamps have widespread and modern areas of application including general lighting, video/movie projection (e.g. UHP lamp), street/industrial lighting, and automotive headlight lamps (D2/xenon lamp). Even though HID lamps have been known for several decades now, the important plasma-electrode interactions are still not well understood. Because HID lamps are usually operated on ac (electrodes switch alternately from anode to cathode phase), time-dependent simulations including realistic and verified anode and cathode models are essential. Therefore, a recently published investigation of external laser heating of an electrode during anode and cathode phase in an operating HID lamp [28] provided the basis for our present paper. These measurements revealed impressive influences of the external laser heating on electrode fall voltage and electrode temperature. Fortunately, the effects are very different during anode and cathode phase. Thus, by comparing the experimental findings with results from our numerical simulations we can learn much about the principles of electrode behaviour and explain in detail the differences between anode and cathode phase. Furthermore, we can verify our model (which includes plasma column, hot plasma spots in front of the electrodes, constriction zones and near-electrode non-local thermal equilibrium-plasma as well as anode and cathode) that accounts for all relevant physical processes concerning plasma, electrodes and interactions between them. Moreover, we investigate the influence of two different notions concerning ionization and recombination in the near electrode plasma on the numerical results. This improves our physical understanding of near-electrode plasma likewise and further increases the confidence in the model under consideration. These results are important for the understanding and the further development of HID lamps which, due to their small dimensions, are often experimentally inaccessible

  17. Structural changes induced by high-pressure processing in micellar casein and milk protein concentrates.

    Cadesky, Lee; Walkling-Ribeiro, Markus; Kriner, Kyle T; Karwe, Mukund V; Moraru, Carmen I

    2017-09-01

    Reconstituted micellar casein concentrates and milk protein concentrates of 2.5 and 10% (wt/vol) protein concentration were subjected to high-pressure processing at pressures from 150 to 450 MPa, for 15 min, at ambient temperature. The structural changes induced in milk proteins by high-pressure processing were investigated using a range of physical, physicochemical, and chemical methods, including dynamic light scattering, rheology, mid-infrared spectroscopy, scanning electron microscopy, proteomics, and soluble mineral analyses. The experimental data clearly indicate pressure-induced changes of casein micelles, as well as denaturation of serum proteins. Calcium-binding α S1 - and α S2 -casein levels increased in the soluble phase after all pressure treatments. Pressurization up to 350 MPa also increased levels of soluble calcium and phosphorus, in all samples and concentrations, whereas treatment at 450 MPa reduced the levels of soluble Ca and P. Experimental data suggest dissociation of calcium phosphate and subsequent casein micelle destabilization as a result of pressure treatment. Treatment of 10% micellar casein concentrate and 10% milk protein concentrate samples at 450 MPa resulted in weak, physical gels, which featured aggregates of uniformly distributed, casein substructures of 15 to 20 nm in diameter. Serum proteins were significantly denatured by pressures above 250 MPa. These results provide information on pressure-induced changes in high-concentration protein systems, and may inform the development on new milk protein-based foods with novel textures and potentially high nutritional quality, of particular interest being the soft gel structures formed at high pressure levels. The Authors. Published by the Federation of Animal Science Societies and Elsevier Inc. on behalf of the American Dairy Science Association®. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/3.0/).

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

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

    2002-01-01

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

  19. Structural Search for High Pressure CS2 and Xe-Cl Compounds

    Zarifi, Niloofar; Tse, John S.

    2018-04-01

    The recent successful implementation of several methodologies for the prediction of crystal structures based on the first-principles electronic structure have ushered in a new area of computational chemistry. In this study, the two most popular methods, namely genetic evolution and particle swarm optimization, were applied to the investigation of stable crystalline polymorphs of solid carbon disulfide and xenon halides at high pressure. It was found that both methods have their own merits. However, there are subtleties that need to be considered for the proper execution of the methods. We found a two-dimensional (2D) layered structure that may be responsible for the superconductivity in CS2. Except for XeCl2, no thermodynamically stable crystalline Xe halides were found under 60 GPa in the halide-rich region of the phase diagram.

  20. Magnetic and Structural Phase Transitions in Thulium under High Pressures and Low Temperatures

    Vohra, Yogesh K.; Tsoi, Georgiy M.; Samudrala, Gopi K. [UAB

    2017-10-01

    The nature of 4f electrons in many rare earth metals and compounds may be broadly characterized as being either "localized" or "itinerant", and is held responsible for a wide range of physical and chemical properties. The pressure variable has a very dramatic effect on the electronic structure of rare earth metals which in turn drives a sequence of structural and magnetic transitions. We have carried out four-probe electrical resistance measurements on rare earth metal Thulium (Tm) under high pressures to 33 GPa and low temperatures to 10 K to monitor the magnetic ordering transition. These studies are complemented by angle dispersive x-ray diffraction studies to monitor crystallographic phase transitions at high pressures and low temperatures. We observe an abrupt increase in magnetic ordering temperature in Tm at a pressure of 17 GPa on phase transition from ambient pressure hcp-phase to α-Sm phase transition. In addition, measured equation of state (EOS) at low temperatures show anomalously low thermal expansion coefficients likely linked to magnetic transitions.

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

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

    2011-01-01

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

  2. Structural stability of the smectite-doped lanthanum under high pressures and high temperatures

    Stefani, Vicente Fiorini

    2012-01-01

    Smectites are phyllosilicates that have a tetrahedron: octahedron structure ratio of 2:1, with high cation exchange capacity (CEC) in the interlayers. For these and other features, smectites have been used in many parts of the world as secondary barriers with the goal of containing a possible leak of radioactive elements in final disposal facilities for radioactive waste through cation exchange. Our aim in this work is to reach the cation exchange in calcium montmorillonite (smectite dioctahedral) by lanthanum to simulate trivalent radionuclides and to study the stability of this structure under high pressure and high temperature. To achieve high pressure it was used two different technique: DAC (Diamond Anvil Cell), achieving pressures up to 12GPa at room temperature and hydraulic press with a toroidal chamber profile to achieve pressures up to 7,7GPa and temperatures up to 900 degree C. The heating is achieved simultaneously by an electric system coupled in the hydraulic press. The outcomes show that the smectite structure doped with lanthanum remains stable under 12GPa at room temperature and 2.5GPa at 200 degree C. However, above 300 degree C at 2.5GPa the structure becomes a new phase of muscovite-like, rich of La, where it loses its interlayer water and turns out to be irreversible. Furthermore, it is important to point out that the higher temperature the better ordered is the structure and it is still stable under 7.7GPa and 900 degree C. Moreover, after all experiments the structure continues being dioctahedral. The new phase of muscovite-like, rich of La, in contact with a calcium solution remains partially unchanged, whereas the other part returns to the original structure (montmorillonite-Ca). The following analyses were performed: X-ray diffraction (XRD) for evaluating the spatial structure; Fourier transform infrared spectroscopy (FTIR) for getting information about the vibrational modes; scanning electron microscopy with dispersive Xray spectroscopy

  3. High-resolution X-ray crystal structure of bovine H-protein using the high-pressure cryocooling method

    Higashiura, Akifumi; Ohta, Kazunori; Masaki, Mika; Sato, Masaru; Inaka, Koji; Tanaka, Hiroaki; Nakagawa, Atsushi

    2013-01-01

    Using the high-pressure cryocooling method, the high-resolution X-ray crystal structure of bovine H-protein was determined at 0.86 Å resolution. This is the first ultra-high-resolution structure obtained from a high-pressure cryocooled crystal. Recently, many technical improvements in macromolecular X-ray crystallography have increased the number of structures deposited in the Protein Data Bank and improved the resolution limit of protein structures. Almost all high-resolution structures have been determined using a synchrotron radiation source in conjunction with cryocooling techniques, which are required in order to minimize radiation damage. However, optimization of cryoprotectant conditions is a time-consuming and difficult step. To overcome this problem, the high-pressure cryocooling method was developed (Kim et al., 2005 ▶) and successfully applied to many protein-structure analyses. In this report, using the high-pressure cryocooling method, the X-ray crystal structure of bovine H-protein was determined at 0.86 Å resolution. Structural comparisons between high- and ambient-pressure cryocooled crystals at ultra-high resolution illustrate the versatility of this technique. This is the first ultra-high-resolution X-ray structure obtained using the high-pressure cryocooling method

  4. Temperature induced development of porous structure of bituminous coal chars at high pressure

    Natalia Howaniec

    2016-01-01

    Full Text Available The porous structure of chars affects their reactivity in gasification, having an impact on the course and product distribution of the process. The shape, size and connections between pores determine the mechanical properties of chars, as well as heat and mass transport in thermochemical processing. In the study the combined effects of temperature in the range of 973–1273 °K and elevated pressure of 3 MPa on the development of porous structure of bituminous coal chars were investigated. Relatively low heating rate and long residence time characteristic for the in-situ coal conversion were applied. The increase in the temperature to 1173 °K under pressurized conditions resulted in the enhancement of porous structure development reflected in the values of the specific surface area, total pore volume, micropore area and volume, as well as ratio of the micropore volume to the total pore volume. These effects were attributed to the enhanced vaporization and devolatilization, as well as swelling behavior along the increase of temperature and under high pressure, followed by a collapse of pores over certain temperature value. This proves the strong dependence of the porous structure of chars not only on the pyrolysis process conditions but also on the physical and chemical properties of the parent fuel.

  5. High-pressure behavior of intermediate scapolite: compressibility, structure deformation and phase transition

    Lotti, Paolo; Comboni, Davide; Merlini, Marco; Hanfland, Michael

    2018-05-01

    Scapolites are common volatile-bearing minerals in metamorphic rocks. In this study, the high-pressure behavior of an intermediate member of the scapolite solid solution series (Me47), chemical formula (Na1.86Ca1.86K0.23Fe0.01)(Al4.36Si7.64)O24[Cl0.48(CO3)0.48(SO4)0.01], has been investigated up to 17.79 GPa, by means of in situ single-crystal synchrotron X-ray diffraction. The isothermal elastic behavior of the studied scapolite has been described by a III-order Birch-Murnaghan equation of state, which provided the following refined parameters: V 0 = 1110.6(7) Å3, {K_{{V_0}}} = 70(2) GPa ({β _{{V_0}}} = 0.0143(4) GPa-1) and {K_{{V}}^' = 4.8(7). The refined bulk modulus is intermediate between those previously reported for Me17 and Me68 scapolite samples, confirming that the bulk compressibility among the solid solution increases with the Na content. A discussion on the P-induced structure deformation mechanisms of tetragonal scapolite at the atomic scale is provided, along with the implications of the reported results for the modeling of scapolite stability. In addition, a single-crystal to single-crystal phase transition, which is displacive in character, has been observed toward a triclinic polymorph at 9.87 GPa. The high-pressure triclinic polymorph was found to be stable up to the highest pressure investigated.

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

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

    2007-01-01

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

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

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

    2008-01-01

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

  8. Structural and electronic properties of Er-monopnictides under high pressure

    Pandit, Premlata, E-mail: lataprem29@gmail.co [Department of Physics, Barkatullah University, Bhopal, Madhya Pradesh 462026 (India); Srivastava, Vipul [Department of Physics, Oriental Institute of Science and Technology, Thakral Nagar, Bhopal (India); Rajagopalan, M. [Crystal Growth Centre, Anna University, Chennai 600 025 (India); Sanyal, Sankar P. [Department of Physics, Barkatullah University, Bhopal, Madhya Pradesh 462026 (India)

    2010-05-01

    We present the results of theoretical calculations on the structural, magnetic and electronic properties of Er-monopnictides using self-consistent first principles tight-binding linear-muffin-tin-orbital (TB-LMTO) method within the atomic-sphere approximation (ASA). Both spin-polarized and non-spin-polarized calculations are performed to check the magnetic stability of these compounds. We find that ErN, ErP and ErAs are metallic in ferromagnetic (FM) phase in both the spin channels and stable in NaCl-type (B{sub 1}) structure at ambient pressure. We predict NaCl-type (B{sub 1}) to CsCl-type (B{sub 2}) structural phase transition in ErN, ErP and ErAs at pressures of 146.1, 60.2 and 53.2 GPa, respectively and remain metallic ferromagnetic at high pressure. We calculate equilibrium lattice constants (a), bulk modulus (B), magnetic moments (mu{sub B}) and electronic properties of these compounds in B{sub 1} and B{sub 2} phases and compare with available experimental and theoretical results.

  9. Hierarchically structured nanoporous carbon tubes for high pressure carbon dioxide adsorption

    Julia Patzsch

    2017-05-01

    Full Text Available Mesoscopic, nanoporous carbon tubes were synthesized by a combination of the Stoeber process and the use of electrospun macrosized polystyrene fibres as structure directing templates. The obtained carbon tubes have a macroporous nature characterized by a thick wall structure and a high specific surface area of approximately 500 m²/g resulting from their micro- and mesopores. The micropore regime of the carbon tubes is composed of turbostratic graphitic areas observed in the microstructure. The employed templating process was also used for the synthesis of silicon carbide tubes. The characterization of all porous materials was performed by nitrogen adsorption at 77 K, Raman spectroscopy, infrared spectroscopy, thermal gravimetric analysis (TGA, scanning electron microscopy (SEM as well as transmission electron microscopy (TEM. The adsorption of carbon dioxide on the carbon tubes at 25 °C at pressures of up to 30 bar was studied using a volumetric method. At 26 bar, an adsorption capacity of 4.9 mmol/g was observed. This is comparable to the adsorption capacity of molecular sieves and vertically aligned carbon nanotubes. The high pressure adsorption process of CO2 was found to irreversibly change the microporous structure of the carbon tubes.

  10. Correlated structural and electronic phase transformations in transition metal chalcogenide under high pressure

    Li, Chunyu, E-mail: licy@hpstar.ac.cn, E-mail: yanhao@hpstar.ac.cn; Ke, Feng; Yu, Zhenhai; Chen, Zhiqiang; Yan, Hao, E-mail: licy@hpstar.ac.cn, E-mail: yanhao@hpstar.ac.cn [Center for High Pressure Science and Technology Advanced Research, Shanghai 201203 (China); Hu, Qingyang [Center for High Pressure Science and Technology Advanced Research, Shanghai 201203 (China); Geophysical Laboratory, Carnegie Institution of Washington, Washington, DC 20015 (United States); Zhao, Jinggeng [Natural Science Research Center, Academy of Fundamental and Interdisciplinary Sciences, Harbin Institute of Technology, Harbin 150080 (China)

    2016-04-07

    Here, we report comprehensive studies on the high-pressure structural and electrical transport properties of the layered transition metal chalcogenide (Cr{sub 2}S{sub 3}) up to 36.3 GPa. A structural phase transition was observed in the rhombohedral Cr{sub 2}S{sub 3} near 16.5 GPa by the synchrotron angle dispersive X-ray diffraction measurement using a diamond anvil cell. Through in situ resistance measurement, the electric resistance value was detected to decrease by an order of three over the pressure range of 7–15 GPa coincided with the structural phase transition. Measurements on the temperature dependence of resistivity indicate that it is a semiconductor-to-metal transition in nature. The results were also confirmed by the electronic energy band calculations. Above results may shed a light on optimizing the performance of Cr{sub 2}S{sub 3} based applications under extreme conditions.

  11. Structural and electronic properties of Er-monopnictides under high pressure

    Pandit, Premlata; Srivastava, Vipul; Rajagopalan, M.; Sanyal, Sankar P.

    2010-01-01

    We present the results of theoretical calculations on the structural, magnetic and electronic properties of Er-monopnictides using self-consistent first principles tight-binding linear-muffin-tin-orbital (TB-LMTO) method within the atomic-sphere approximation (ASA). Both spin-polarized and non-spin-polarized calculations are performed to check the magnetic stability of these compounds. We find that ErN, ErP and ErAs are metallic in ferromagnetic (FM) phase in both the spin channels and stable in NaCl-type (B 1 ) structure at ambient pressure. We predict NaCl-type (B 1 ) to CsCl-type (B 2 ) structural phase transition in ErN, ErP and ErAs at pressures of 146.1, 60.2 and 53.2 GPa, respectively and remain metallic ferromagnetic at high pressure. We calculate equilibrium lattice constants (a), bulk modulus (B), magnetic moments (μ B ) and electronic properties of these compounds in B 1 and B 2 phases and compare with available experimental and theoretical results.

  12. Structural Phase Transition and Compressibility of CaF2 Nanocrystals under High Pressure

    Jingshu Wang

    2018-05-01

    Full Text Available The structural phase transition and compressibility of CaF2 nanocrystals with size of 23 nm under high pressure were investigated by synchrotron X-ray diffraction measurement. A pressure-induced fluorite to α-PbCl2-type phase transition starts at 9.5 GPa and completes at 20.2 GPa. The phase-transition pressure is lower than that of 8 nm CaF2 nanocrystals and closer to bulk CaF2. Upon decompression, the fluorite and α-PbCl2-type structure co-exist at the ambient pressure. The bulk modulus B0 of the 23 nm CaF2 nanocrystals for the fluorite and α-PbCl2-type phase are 103(2 and 78(2 GPa, which are both larger than those of the bulk CaF2. The CaF2 nanocrystals exhibit obviously higher incompressibility compare to bulk CaF2. Further analysis demonstrates that the defect effect in our CaF2 nanocrystals plays a dominant role in the structural stability.

  13. Nickel and cobalt filled multiwalled carbon nantubes : structural transformation under heavy ion irradiation and high pressure

    Misra, D.S.; Misra, A.; Tyagi, Pawan K.; Karamakar, S.; Sharma, Surinder M.

    2006-01-01

    Full text: The nickel and cobalt nano wires of diameters ranging from 5-15 nm are formed inside the multiwalled carbon nantubes using microwave plasma chemical vapor deposition in our laboratory. The nano wires inside the tubes are found to have a perfect crystalline structure and the crystalline planes of (111) orientations are aligned for FCC nickel and cobalt in a particular fashion. We find that the cobalt can exist either in FCC or HCP phase in confinement depending upon the diameter of the tubes. The irradiation of these nanowires with high energy Au + ions alter the orientation of the crystalline planes and generate various types of domains and defects in the nanowires. The complete amorphization of the walls of the nano tubes is observed at the fluence of 5x10 13 /cm 2 and results in amorphization of nickel nano wires as well. The cobalt nano wires have FCC structure in ambient conditions and transform to HCP cobalt irreversibly when subjected to high pressure of ∼9 GPa. Multi-walled carbon nano tubes that encapsulate the cobalt nano wires do not undergo any other structural transformation with pressure except partial reversible amorphization beyond 9 GPa

  14. Structural Behaviour of Reciprocal Structures

    Parigi, Dario; Kirkegaard, Poul Henning

    2013-01-01

    The present paper focuses on the comparison of several two-dimensional and three-dimensional reciprocal configurations. The goal of such comparison is to analyse the structural behaviour when changing the geometric parameters used to describe the geometry of reciprocal structures....

  15. Crystal Structures and Mechanical Properties of Ca2C at High Pressure

    Qun Wei

    2016-07-01

    Full Text Available Recently, a new high-pressure semiconductor phase of Ca2C (space group Pnma was successfully synthesized, it has a low-pressure metallic phase (space group C2/m. In this paper, a systematic investigation of the pressure-induced phase transition of Ca2C is studied on the basis of first-principles calculations. The calculated enthalpy reveals that the phase transition which transforms from C2/m-Ca2C to Pnma-Ca2C occurs at 7.8 GPa, and it is a first-order phase transition with a volume drop of 26.7%. The calculated elastic constants show that C2/m-Ca2C is mechanically unstable above 6.4 GPa, indicating that the structural phase transition is due to mechanical instability. Both of the two phases exhibit the elastic anisotropy. The semiconductivity of Pnma-Ca2C and the metallicity of C2/m-Ca2C have been demonstrated by the electronic band structure calculations. The quasi-direct band gap of Pnma-Ca2C at 0 GPa is 0.86 eV. Furthermore, the detailed analysis of the total and partial density of states is performed to show the specific contribution to the Fermi level.

  16. Influence of high-pressure torsion on formation/destruction of nano-sized spinodal structures

    Alhamidi, Ali; Edalati, Kaveh; Horita, Zenji

    2018-04-01

    The microstructures and hardness of Al - 30 mol.% Zn are investigated after processing by high-pressure torsion (HPT) for different numbers of revolutions, N = 1, 3, 10 or 25, as well as after post-HPT annealing at different temperatures, T = 373 K, 473 K, 573 K and 673 K. It was found that a work softening occurs by decreasing the grain size to the submicrometer level and increasing the fraction of high-angle boundaries. As a result of HPT processing, a complete decomposition of supersaturated solid solution of Zn in Al occurs and the spinodal structure is destroyed. This suggests that softening of the Al-Zn alloys after HPT is due to the decomposition of the supersaturated solid solution and destruction of spinodal decomposition. After post-HPT annealing, ultrafine-grained Al-Zn alloys show an unusual mechanical properties and its hardness increased to 187 HV. Microstructural analysis showed that the high hardness after post-HPT annealing is due to the formation of spinodal structures.

  17. Structural and electrical properties of TmTe under high pressure

    Tang, Jie; Matsumoto, Takehiko; Kosaka, Takayuki; Matsumura, Takeshi; Suzuki, Takashi; Mori, Nobuo

    1997-01-01

    Pressure-induced valence state of Tm ions in TmTe has been investigated by measurements of electrical resistivity in situ x-ray diffraction and magnetic susceptibility at high pressure. Below 2 GPa, the valence of Tm was confirmed to be 2 + from the results of compressibility and magnetic susceptibility. The pressure dependence of the electrical resistivity up to 2 GPa at room temperature showed an exponential decrease, indicating a linear closing of the energy gap at a rate of -1 meV/GPa. In the pressure range above 2 GPa where the energy gap disappeared, the valence transition from Tm 2+ to Tm 3+ was concluded from the pressure dependence of the lattice parameters. The electrical resistivity showing a logarithmic temperature dependence was reminiscent of Kondo effect. Above 6 GPa at which the pressure dependence of electrical resistivity abruptly decreased, the structure was confirmed to transform from the NaCl-type with Tm 3+ to a tetragonal structure. (author)

  18. Enzymatic saccharification of high pressure assist-alkali pretreated cotton stalk and structural characterization.

    Du, Shuang-kui; Su, Xia; Yang, Weihua; Wang, Yanqin; Kuang, Meng; Ma, Lei; Fang, Dan; Zhou, Dayun

    2016-04-20

    Cotton stalk is a potential biomass for bioethanol production, while the conversion of direct saccharification or biotransformation of cotton stalk is extremely low due to the recalcitrant nature of lignocellulose. To enhance the enzymatic conversion of cotton stalks, the enzymatic saccharification parameters of high pressure assist-alkali pretreatment (HPAP) cotton stalk were optimized in the present study. Results indicated that a maximum reducing sugar yield of 54.7g/100g dry biomass cellulose was achieved at a substrate concentration of 2%, 100rpm agitation, 0.6g/g enzyme loading, 40°C hydrolysis temperature, 50h saccharification time, and pH 5.0. Scanning electron microscopy, X-ray diffraction, and Fourier transform infrared spectroscopy were used to identify structural changes in native, pretreated biomass and hydrolyzed residues. Structural analysis revealed large part of amorphous cellulose and partial crystalline cellulose in the HPAP cotton stalk were hydrolyzed during enzymatic treatment. HPAP cotton stalk can be used as a potential feed stock for bioethanol production. Copyright © 2015 Elsevier Ltd. All rights reserved.

  19. High-Pressure Treatment of Non-Hydrated Flour Affects Structural Characteristics and Hydration

    Sabina Jakobi

    2018-05-01

    Full Text Available In recent years, high-pressure treatment (HPT has become an established process concerning the preservation of food. However, studies dealing with the structural, and consequently functional modification of non-hydrated starchy matrices (moisture content ≤ 15% by HPT are missing. To close this knowledge gap, pressure (0–600 MPa, 10 min and pressurization time depending (0–20 min, 450 MPa alterations of wheat flour were investigated. Pressure rise from 0 to 600 MPa or pressurization time rise from 0 to 20 min resulted in a decline of amylopectin content from 68.3 ± 2.0% to 59.7 ± 1.5% (linearly, R2 = 0.83 and 59.6 ± 0.7% (sigmoidal, respectively. Thereby, detectable total amount of starch decreased from 77.7 ± 0.8% linearly to 67.6 ± 1.7%, and sigmoidal, to 69.4 ± 0.4%, respectively. Increase in pressure caused a linear decrease in gelatinization enthalpy of 33.2 ± 5.6%, and linear increase in hydration properties by 11.0 ± 0.6%. The study revealed structural and technological relevant alterations of starch-based food matrices with low moisture content by HPT, which must be taken into consideration during processing and preservation of food.

  20. High-pressure crystallography

    Katrusiak, A.

    2008-01-01

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

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

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

    1983-01-01

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

  2. Analysis of the structural stability of the smectite submitted to high pressures and temperatures

    Alabarse, Frederico Gil

    2009-10-01

    The thermal stability of bentonite is of particular interest for containment barrier in nuclear waste disposal facilities. However, very little is known about the stability of smectite (principal component of bentonite) under high-pressure and high-temperature conditions (HPHT). The objective of this work was to investigate the stability of the smectite structure under HP-HT conditions. The HP-HT experiments were performed on toroidal chambers (TC) with pressure up 7.7 GPa and temperatures of 1000 deg C. The samples were characterized by X-ray diffraction after the HP-HT processing. Furthermore, one sample from the original material was analyzed using Fourier transformed infra-red (FTIR) in situ measurements on a diamond anvil cell (DAC) in experiments up to 12 GPa. The original sample of bentonite, calcium dioctahedral montmorillonite with small fraction of quartz, was characterized by FTIR, XRD, X-ray fluorescence (XRF), scanning electron microscopy (SEM), surface area, thermogravimetric analysis (TGA) and differential thermal analysis (DTA). In the experiment performed using the DAC up to 12 GPa, the FTIR in situ measurements analysis showed that the smectite structure is stable with a reversible deformation in the Si-O bond and that the smectite did not loose water. Experiments performed in TC at 7.7 GPa of pressure and 250 deg C of temperature, during 3.5 h showed, after analysis by XRD and FTIR, that the smectite structure is stable and did not loose water. Experiments performed in TC at 7.7 GPa of pressure and 1000 deg C of temperature, during 3.5 h showed, after analysis by XRD and SEM, the transformation of bentonite to the mineral assemblage: Coesite, Quartz, Kyanite and Pyrope. (author)

  3. Structural phase transition and elastic properties of AnAs (An= Th, U, Np, Pu) compounds at high pressure

    Aynyas, Mahendra; Arya, B.S.; Srivastava, Vipul; Sanyal, Sankar P.

    2006-01-01

    The high pressure behavior and pressure induced structural phase transition of mono arsenides (AnAs; An = Th, U, Np, Pu) have been investigated by using a three body interaction potential (TBI). This method has been found quite satisfactory in the case of other Rare-Earth compounds. The calculated compression curves of mono-arsenides obtained so have been compared with high pressure X-ray diffraction work. The theoretically predicted phase transition pressure and other structural properties for these compounds agree reasonably well with the measured values. (author)

  4. Effects of the ultra-high pressure on structure and α-glucosidase inhibition of polysaccharide from Astragalus.

    Zhu, Zhen-Yuan; Luo, You; Dong, Guo-Ling; Ren, Yuan-Yuan; Chen, Li-Jing; Guo, Ming-Zhu; Wang, Xiao-Ting; Yang, Xue-Ying; Zhang, Yongmin

    2016-06-01

    A novel homogeneous polysaccharide fraction (APS) was extracted from Astragalus by hot water and purified by Sephadex G-100 and G-75 column. Its molecular weight was 693kDa. APS and APS with ultra-high pressure treatment exhibited significant inhibitory abilities on a-glucosidase, inhibition rate from high to low in order was 400MPa-APS, 300MPa-APS, 500MPa-APS and APS. The inhibition ​percentage of 400MPa-APS (1.5mg/mL) was 49% (max.). This suggested that the inhibitory activity of APS on a-glucosidase was improved by ultra-high pressure treatment. FT-IR, SEM, CD spectra, atomic force microscope and Congo red test analysis of APS and 400MPa-APS showed ultra-high pressure treatment didn't change the preliminary structure but had an effect on its advanced structure. Copyright © 2016 Elsevier B.V. All rights reserved.

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

    Zhang Weibing; Hu Yulin; Han Keli; Tang Biyu

    2006-01-01

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

  6. Structural phase transition of BaZrO3 under high pressure

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

    2014-01-01

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

  7. Crystal structure and elasticity of Al-bearing phase H under high pressure

    Guiping Liu

    2018-05-01

    Full Text Available Al has significant effect on properties of minerals. We reported crystal structure and elasticity of phase H, an important potential water reservoir in the mantle, which contains different Al using first principles simulations for understanding the effect of Al on the phase H. The crystal and elastic properties of Al end-member phase H (Al2O4H2 are very different from Mg end-member (MgSiO4H2 phase H and two aluminous phase H (Mg0.875Si0.875Al0.25O4H2 (12.5at%Al and Mg0.75Si0.75Al0.5O4H2 (25at% Al. However differences between Mg end-member phase H and aluminous phase H are slight except for the O-H bond length and octahedron volume. Al located at different crystal positions (original Mg or Si position of aluminous phase H has different AlO6 octahedral volumes. For three Al-bearing phase H, bulk modulus (K, shear modulus (G, compressional wave velocity (Vp and shear wave velocity (Vs increase with increasing Al content. Under high pressure, density of phase H increases with increasing Al content. The Al content affects the symmetry of the phase H and then affects the density and elastic constants of phase H. The total ground energy of phase H also increases with increasing Al content. So an energy barrier for the formation of solid solution of phase H with δ-phase AlOOH is expected. However, if the phase H with δ-phase AlOOH solid solution does exit in the mantle, it may become an important component of the mantle or leads to a low velocity layer at the mantle.

  8. Flame structure and NO generation in oxy-fuel combustion at high pressures

    Seepana, Sivaji; Jayanti, Sreenivas

    2009-01-01

    A numerical study of oxy-fuel combustion has been carried out in the pressure range of 0.1-3 MPa with methane as the fuel and carbondioxide-diluted oxygen with trace amount of nitrogen (termed here as c a ir) as the oxidant. The flame structure and NO generation rate have been calculated using the flamelet model with the detailed GRI 3.0 mechanism for two oxygen concentrations of 23.3% and 20% by weight in the oxidant at a strain rate of 40 s -1 (corresponding to a scalar dissipation rate of 1 s -1 ). It is observed that, for the reference case of 23.3 wt.% of oxygen, as the pressure increases, the peak temperature of the flame increases rapidly up to a pressure of 0.5 MPa, and more gradually at higher pressures. The concentrations of important intermediate radicals such as CH 3 , H and OH decrease considerably with increasing pressure while NO concentration follows the same trend as the temperature. Reducing the oxygen concentration to 20% by weight leads to an order of magnitude reduction in NO concentration. Also, for pressures greater than 0.3 MPa, the NO concentration decreases with increasing pressure in spite of the increasing peak flame temperatures. This can be attributed to the increasing domination of recombination reactions leading to less availability of the intermediate radicals H and OH which are necessary for the formation of NO by the thermal route. It is concluded that a stable, low NO x oxy-fuel flame can be obtained at high pressures at slightly increased dilution of oxygen

  9. Flame structure and NO generation in oxy-fuel combustion at high pressures

    Seepana, Sivaji; Jayanti, Sreenivas [Department of Chemical Engineering, IIT Madras, Chennai 600 036 (India)

    2009-04-15

    A numerical study of oxy-fuel combustion has been carried out in the pressure range of 0.1-3 MPa with methane as the fuel and carbondioxide-diluted oxygen with trace amount of nitrogen (termed here as c{sub a}ir) as the oxidant. The flame structure and NO generation rate have been calculated using the flamelet model with the detailed GRI 3.0 mechanism for two oxygen concentrations of 23.3% and 20% by weight in the oxidant at a strain rate of 40 s{sup -1} (corresponding to a scalar dissipation rate of 1 s{sup -1}). It is observed that, for the reference case of 23.3 wt.% of oxygen, as the pressure increases, the peak temperature of the flame increases rapidly up to a pressure of 0.5 MPa, and more gradually at higher pressures. The concentrations of important intermediate radicals such as CH{sub 3}, H and OH decrease considerably with increasing pressure while NO concentration follows the same trend as the temperature. Reducing the oxygen concentration to 20% by weight leads to an order of magnitude reduction in NO concentration. Also, for pressures greater than 0.3 MPa, the NO concentration decreases with increasing pressure in spite of the increasing peak flame temperatures. This can be attributed to the increasing domination of recombination reactions leading to less availability of the intermediate radicals H and OH which are necessary for the formation of NO by the thermal route. It is concluded that a stable, low NO{sub x} oxy-fuel flame can be obtained at high pressures at slightly increased dilution of oxygen. (author)

  10. The influence of hyaluronan on the structure of a DPPC-bilayer under high pressures.

    Zander, Thomas; Wieland, D C Florian; Raj, Akanksha; Wang, Min; Nowak, Benedikt; Krywka, Christina; Dėdinaitė, Andra; Claesson, Per Martin; Garamus, Vasil M; Schreyer, Andreas; Willumeit-Römer, Regine

    2016-06-01

    The superior lubrication properties of synovial joints have inspired many studies aiming at uncovering the molecular mechanisms which give rise to low friction and wear. However, the mechanisms are not fully understood yet, and, in particular, it has not been elucidated how the biolubricants present at the interface of cartilage respond to high pressures, which arise during high loads of joints. In this study we utilize a simple model system composed of two biomolecules that have been implied as being important for joint lubrication. It consists of a solid supported dipalmitoylphosphatidylcholin (DPPC) bilayer, which was formed via vesicles fusion on a flat Si wafer, and the anionic polysaccharide hyaluronan (HA). We first characterized the structure of the HA layer that adsorbed to the DPPC bilayers at ambient pressure and different temperatures using X-ray reflectivity (XRR) measurements. Next, XRR was utilized to evaluate the response of the system to high hydrostatic pressures, up to 2kbar (200MPa), at three different temperatures. By means of fluorescence microscopy images the distribution of DPPC and HA on the surface was visualized. Our data suggest that HA adsorbs to the headgroup region that is oriented towards the water side of the supported bilayer. Phase transitions of the bilayer in response to temperature and pressure changes were also observed in presence and absence of HA. Our results reveal a higher stability against high hydrostatic pressures for DPPC/HA composite layers compared to that of the DPPC bilayer in absence of HA. Copyright © 2016 Elsevier B.V. All rights reserved.

  11. A structural view of Pd model catalysts : high-pressure surface X-Ray diffraction

    Rijn, Richard van

    2012-01-01

    This thesis describes the development of a combined high-pressure/ultrahigh-vacuum flow reactor for the study of model catalysts by means of surface x-ray diffraction and grazing incidence small angle scattering. The system was used to measure a stability diagram for the different oxide phases

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

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

    2006-01-01

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

  13. High-pressure polymorphism of As2S3 and new AsS2 modification with layered structure

    Bolotina, N. B.; Brazhkin, V. V.; Dyuzheva, T. I.; Katayama, Y.; Kulikova, L. F.; Lityagina, L. V.; Nikolaev, N. A.

    2014-01-01

    At normal pressure, the As2S3 compound is the most stable equilibrium modification with unique layered structure. The possibility of high-pressure polymorphism of this substance remains questionable. Our research showed that the As2S3 substance was metastable under pressures P > 6 GPa decomposing into two high-pressure phases: As2S3 → AsS2 + AsS. New AsS2 phase can be conserved in the single crystalline form in metastable state at room pressure up to its melting temperature (470 K). This modification has the layered structure with P1211 monoclinic symmetry group; the unit-cell values are a = 7.916(2) Å, b = 9.937(2) Å, c = 7.118(1) Å, β = 106.41° ( Z = 8, density 3.44 g/cm3). Along with the recently studied AsS high-pressure modification, the new AsS2 phase suggests that high pressure polymorphism is a very powerful tool to create new layered-structure phases with "wrong" stoichiometry.

  14. 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

    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

  15. A Structural Study of the Pseudo-Binary Mercury Chalcogenide Alloy HgSe_{0.7}S_{0.3} at High Pressure

    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.

  16. A structural study of the pseudo-binary mercury chalcogenide alloy HgSe0.7S0.3 at high pressure

    Kozlenko, D.P.; Savenko, B.N.; Ehm, L.; Knorr, K.; Hull, S.; Shchennikov, V.V.; Voronin, V.I.

    2002-01-01

    The structure of the pseudo-binary mercury chalcogenide alloy HgSe 0.7 S 0.3 has been studied by means of X-ray and neutron powder diffraction at pressure up to 8.5 GPa. A phase transition from the cubic zinc blende structure to the hexagonal cinnabar structure was observed at P∼1 GPa. The obtained structural parameters were used for the analysis of the geometrical relationship between the zinc blende and the cinnabar phases. The zinc blende-cinnabar phase transition is discussed in the framework of the Landau theory of phase transitions. It was found that the possible order parameter for the structural transformation is the spontaneous strain e 4 . This assignment agrees with previously observed high pressure behaviour of the elastic constants of other mercury chalcogenides

  17. High-resolution X-ray crystal structure of bovine H-protein using the high-pressure cryocooling method.

    Higashiura, Akifumi; Ohta, Kazunori; Masaki, Mika; Sato, Masaru; Inaka, Koji; Tanaka, Hiroaki; Nakagawa, Atsushi

    2013-11-01

    Recently, many technical improvements in macromolecular X-ray crystallography have increased the number of structures deposited in the Protein Data Bank and improved the resolution limit of protein structures. Almost all high-resolution structures have been determined using a synchrotron radiation source in conjunction with cryocooling techniques, which are required in order to minimize radiation damage. However, optimization of cryoprotectant conditions is a time-consuming and difficult step. To overcome this problem, the high-pressure cryocooling method was developed (Kim et al., 2005) and successfully applied to many protein-structure analyses. In this report, using the high-pressure cryocooling method, the X-ray crystal structure of bovine H-protein was determined at 0.86 Å resolution. Structural comparisons between high- and ambient-pressure cryocooled crystals at ultra-high resolution illustrate the versatility of this technique. This is the first ultra-high-resolution X-ray structure obtained using the high-pressure cryocooling method.

  18. Using Modelica to investigate the dynamic behaviour of the German national standard for high pressure natural gas flow metering

    Von der Heyde, M; Schmitz, G; Mickan, B

    2016-01-01

    This paper presents a computational model written in Modelica for the high pressure piston prover (HPPP) used as the national primary standard for high pressure natural gas flow metering in Germany. With a piston prover the gas flow rate is determined by measuring the time a piston needs to displace a certain volume of gas in a cylinder. Fluctuating piston velocity during measurement can be a significant source of uncertainty if not considered in an appropriate way. The model was built to investigate measures for the reduction of this uncertainty. Validation shows a good compliance of the piston velocity in the model with measured data for certain volume flow rates. Reduction of the piston weight, variation of the start valve switching time and integration of a flow straightener were found to reduce the piston velocity fluctuations in the model significantly. The fast and cost effective generation of those results shows the strength of the used modelling approach. (paper)

  19. THE STRUCTURE OF SURFACE H{sub 2}O LAYERS OF ICE-COVERED PLANETS WITH HIGH-PRESSURE ICE

    Ueta, S.; Sasaki, T., E-mail: ueta@geo.titech.ac.jp, E-mail: takanori@geo.titech.ac.jp [Earth and Planetary Sciences, Tokyo Institute of Technology, 2-12-1 Ookayama, Meguro-ku, Tokyo 152-8551 (Japan)

    2013-10-01

    Many extrasolar (bound) terrestrial planets and free-floating (unbound) planets have been discovered. While the existence of bound and unbound terrestrial planets with liquid water is an important question, of particular importance is the question of these planets' habitability. Even for a globally ice-covered planet, geothermal heat from the planetary interior may melt the interior ice, creating an internal ocean covered by an ice shell. In this paper, we discuss the conditions that terrestrial planets must satisfy for such an internal ocean to exist on the timescale of planetary evolution. The question is addressed in terms of planetary mass, distance from a central star, water abundance, and abundance of radiogenic heat sources. In addition, we investigate the structure of the surface H{sub 2}O layers of ice-covered planets by considering the effects of ice under high pressure (high-pressure ice). As a fiducial case, a 1 M{sub ⊕} planet at 1 AU from its central star and with 0.6-25 times the H{sub 2}O mass of the Earth could have an internal ocean. We find that high-pressure ice layers may appear between the internal ocean and the rock portion on a planet with an H{sub 2}O mass over 25 times that of the Earth. The planetary mass and abundance of surface water strongly restrict the conditions under which an extrasolar terrestrial planet may have an internal ocean with no high-pressure ice under the ocean. Such high-pressure ice layers underlying the internal ocean are likely to affect the habitability of the planet.

  20. Analysing and modelling the growth behaviour of Listeria monocytogenes on RTE cooked meat products after a high pressure treatment at 400 MPa.

    Hereu, A; Dalgaard, P; Garriga, M; Aymerich, T; Bover-Cid, S

    2014-09-01

    Various predictive models are available for high pressure inactivation of Listeria monocytogenes in food, but currently available models do not consider the growth kinetics of surviving cells during the subsequent storage of products. Therefore, we characterised the growth of L. monocytogenes in sliced cooked meat products after a pressurization treatment. Two inoculum levels (10(7) or 10(4) CFU/g) and two physiological states before pressurization (freeze-stressed or cold-adapted) were evaluated. Samples of cooked ham and mortadella were inoculated, high pressure processed (400 MPa, 5 min) and subsequently stored at 4, 8 and 12 °C. The Logistic model with delay was used to estimate lag phase (λ) and maximum specific growth rate (μmax) values from the obtained growth curves. The effect of storage temperature on μmax and λ was modelled using the Ratkowsky square root model and the relative lag time (RLT) concept. Compared with cold-adapted cells the freeze-stressed cells were more pressure-resistant and showed a much longer lag phase during growth after the pressure treatment. Interestingly, for high-pressure inactivation and subsequent growth, the time to achieve a concentration of L. monocytogenes 100-fold (2-log) higher than the cell concentration prior to the pressure treatment was similar for the two studied physiological states of the inoculum. Two secondary models were necessary to describe the different growth behaviour of L. monocytogenes on ready-to-eat cooked ham (lean product) and mortadella (fatty product). This supported the need of a product-oriented approach to assess growth after high pressure processing. The performance of the developed predictive models for the growth of L. monocytogenes in high-pressure processed cooked ham and mortadella was evaluated by comparison with available data from the literature and by using the Acceptable Simulation Zone approach. Overall, 91% of the relative errors fell into the Acceptable Simulation Zone

  1. Circular dichroism and site-directed spin labeling reveal structural and dynamical features of high-pressure states of myoglobin

    Lerch, Michael T.; Horwitz, Joseph; McCoy, John; Hubbell, Wayne L.

    2013-01-01

    Excited states of proteins may play important roles in function, yet are difficult to study spectroscopically because of their sparse population. High hydrostatic pressure increases the equilibrium population of excited states, enabling their characterization [Akasaka K (2003) Biochemistry 42:10875–85]. High-pressure site-directed spin-labeling EPR (SDSL-EPR) was developed recently to map the site-specific structure and dynamics of excited states populated by pressure. To monitor global secondary structure content by circular dichroism (CD) at high pressure, a modified optical cell using a custom MgF2 window with a reduced aperture is introduced. Here, a combination of SDSL-EPR and CD is used to map reversible structural transitions in holomyoglobin and apomyoglobin (apoMb) as a function of applied pressure up to 2 kbar. CD shows that the high-pressure excited state of apoMb at pH 6 has helical content identical to that of native apoMb, but reversible changes reflecting the appearance of a conformational ensemble are observed by SDSL-EPR, suggesting a helical topology that fluctuates slowly on the EPR time scale. Although the high-pressure state of apoMb at pH 6 has been referred to as a molten globule, the data presented here reveal significant differences from the well-characterized pH 4.1 molten globule of apoMb. Pressure-populated states of both holomyoglobin and apoMb at pH 4.1 have significantly less helical structure, and for the latter, that may correspond to a transient folding intermediate. PMID:24248390

  2. Interlocking multi-material components made of structured steel sheets and high-pressure die cast aluminium

    Senge, S.; Brachmann, J.; Hirt, G.; Bührig-Polaczek, A.

    2017-10-01

    Lightweight design is a major driving force of innovation, especially in the automotive industry. Using hybrid components made of two or more different materials is one approach to reduce the vehicles weight and decrease fuel consumption. As a possible way to increase the stiffness of multi-material components, this paper presents a process chain to produce such components made of steel sheets and high-pressure die cast aluminium. Prior to the casting sequence the steel sheets are structured in a modified rolling process which enables continuous interlocking with the aluminium. Two structures manufactured by this rolling process are tested. The first one is a channel like structure and the second one is a channel like structure with undercuts. These undercuts enable the formation of small anchors when the molten aluminium fills them. The correlation between thickness reduction during rolling and the shape of the resulting structure was evaluated for both structures. It can be stated that channels with a depth of up to 0.5 mm and a width of 1 mm could be created. Undercuts with different size depending on the thickness reduction could be realised. Subsequent aluminium high-pressure die casting experiments were performed to determine if the surface structure can be filled gap-free with molten aluminium during the casting sequence and if a gap-free connection can be achieved after contraction of the aluminium. The casting experiments showed that both structures could be filled during the high-pressure die casting. The channel like structure results in a gap between steel and aluminium after contraction of the cast metal whereas the structure with undercuts leads to a good interlocking resulting in a gap-free connection.

  3. The structural properties of Zr-based bulk metallic glasses subjected to high pressure torsion at different temperatures

    Boltynjuk, E. V., E-mail: boltynjuk@gmail.com; Ubyivovk, E. V.; Kshumanev, A. M. [Saint Petersburg State University, 28 Universitetskiy pr., Saint Petersburg, 198504 (Russian Federation); Gunderov, D. V.; Lukianov, A. V. [Ufa State Aviation Technical University, K. Marks 12, Ufa, 450000 (Russian Federation); Bednarz, A. [Faculty of Mechanical Engineering and Aeronautics, Department of Aircraft and Aircraft Engines, Rzeszow University of Technology, Al. Powstancow Warszawy 8, 35-959 Rzeszow (Poland); Valiev, R. Z. [Saint Petersburg State University, 28 Universitetskiy pr., Saint Petersburg, 198504 (Russian Federation); Ufa State Aviation Technical University, K. Marks 12, Ufa, 450000 (Russian Federation)

    2016-06-17

    The structural properties of a Zr{sub 62}Cu{sub 22}Al{sub 10}Fe{sub 5}Dy{sub 1} bulk metallic glasses were investigated. Cylindrical rods of the Zr{sub 62}Cu{sub 22}Al{sub 10}Fe{sub 5}Dy{sub 1} BMG were subjected to high pressure torsion at temperatures of 20°C and 150°C. X-ray diffraction, transmission electron microscopy were used to determine peculiarities of the modified structure. Analysis of fracture surfaces, nanohardness measurements were conducted to investigate the influence of structural changes on mechanical behavior of processed samples.

  4. The structural properties of Zr-based bulk metallic glasses subjected to high pressure torsion at different temperatures

    Boltynjuk, E. V.; Ubyivovk, E. V.; Kshumanev, A. M.; Gunderov, D. V.; Lukianov, A. V.; Bednarz, A.; Valiev, R. Z.

    2016-01-01

    The structural properties of a Zr_6_2Cu_2_2Al_1_0Fe_5Dy_1 bulk metallic glasses were investigated. Cylindrical rods of the Zr_6_2Cu_2_2Al_1_0Fe_5Dy_1 BMG were subjected to high pressure torsion at temperatures of 20°C and 150°C. X-ray diffraction, transmission electron microscopy were used to determine peculiarities of the modified structure. Analysis of fracture surfaces, nanohardness measurements were conducted to investigate the influence of structural changes on mechanical behavior of processed samples.

  5. Development of loose part signal location estimating technique in high pressured structure

    Rhee, Ill Keun; Choi, Jae Won; Kim, Yong Up; Kim, Taek Hwan; Song, Young Joong [Hannam University, Taejon (Korea, Republic of)

    1997-07-01

    The main purpose of this project is to develop the metallic loose parts monitoring and diagnosis technology. This will contribute to the development of the domestic technology, and, at the some time, to the development of related domestic industries. This study has been performed as 3-year-project,= to provide to basic requirements in developing the integrated and intelligent loose part monitoring and diagnosis system for Reactor Pressure Vessel (RPV). The results from this project is expected to be applied to the development of the integrated and intelligent loose part monitoring and diagnosis system which can be used to analyze the main cause of the malfunctioning of the system under the worst circumstance - high temperature, high pressure and high speed of the flow of reactor coolant, with the efficient software package that could classify the characteristics of the metallic loose parts occurred inside the RPV of the nuclear steam supply system. (Author) 39 refs., 7 tabs., 74 figs.

  6. Structural and electronic properties of superconductor MgB sub 2 under high pressure

    Tang, J; Gu, H W; Matsushita, A; Takano, Y; Togano, K; Kito, H; Ihara, H

    2002-01-01

    The superconductivity and the lattice properties of a sintered MgB sub 2 material have been investigated under high pressure up to 10 GPa. The transition temperature was found to decrease linearly with increasing hydrostatic pressure at a rate of 1.03 K GPa sup - sup 1 , which can be explained with the classical Bardeen-Cooper-Shrieffer theory based on an electron-phonon coupling mechanism. The crystal lattice exhibits an anisotropic compressibility characterized by a larger compressibility along the c-direction than the a/b-directions. The anisotropy is attributed to a weaker inter-plane bonding along the c-axis in comparison with a stronger intra-plane bonding perpendicular to the c-axis. The bulk modulus of the measured material was deduced to be 172 GPa.

  7. Ab initio molecular dynamics simulation of structural transformation in zinc blende GaN under high pressure

    Xiao, H.Y.; Gao, Fei; Zu, X.T.; Weber, W.J.

    2010-01-01

    High-pressure induced zinc blende to rocksalt phase transition in GaN has been investigated by ab initio molecular dynamics method to characterize the transformation mechanism at the atomic level. It was shown that at 100 GPa GaN passes through tetragonal and monoclinic states before rocksalt structure is formed. The transformation mechanism is consistent with that for other zinc blende semiconductors obtained from the same method. Detailed structural analysis showed that there is no bond breaking involved in the phase transition.

  8. Structure and bulk modulus of Ln-doped UO{sub 2} (Ln = La, Nd) at high pressure

    Rittman, Dylan R., E-mail: drittman@stanford.edu [Department of Geological Sciences, Stanford University, Stanford, CA 94305 (United States); Park, Sulgiye; Tracy, Cameron L. [Department of Geological Sciences, Stanford University, Stanford, CA 94305 (United States); Zhang, Lei [Peter A. Rock Thermochemistry Laboratory and NEAT ORU, University of California Davis, Davis, CA 95616 (United States); Department of Chemical Engineering and Materials Science, University of California Davis, Davis, CA 95616 (United States); Palomares, Raul I.; Lang, Maik [Department of Nuclear Engineering, University of Tennessee, Knoxville, TN 37996 (United States); Navrotsky, Alexandra [Peter A. Rock Thermochemistry Laboratory and NEAT ORU, University of California Davis, Davis, CA 95616 (United States); Department of Chemical Engineering and Materials Science, University of California Davis, Davis, CA 95616 (United States); Mao, Wendy L. [Department of Geological Sciences, Stanford University, Stanford, CA 94305 (United States); Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, Menlo Park, CA 94025 (United States); Ewing, Rodney C. [Department of Geological Sciences, Stanford University, Stanford, CA 94305 (United States)

    2017-07-15

    The structure of lanthanide-doped uranium dioxide, Ln{sub x}U{sub 1-x}O{sub 2-0.5x+y} (Ln = La, Nd), was investigated at pressures up to ∼50–55 GPa. Samples were synthesized with different lanthanides at different concentrations (x ∼ 0.2 and 0.5), and all were slightly hyperstoichiometric (y ∼ 0.25–0.4). In situ high-pressure synchrotron X-ray diffraction was used to investigate their high-pressure phase behavior and determine their bulk moduli. All samples underwent a fluorite-to-cotunnite phase transformation with increasing pressure. The pressure of the phase transformation increased with increasing hyperstoichiometry, which is consistent with results from previous computational simulations. Bulk moduli are inversely proportional to both the ionic radius of the lanthanide and its concentration, as quantified using a weighted cationic radius ratio. This trend was found to be consistent with the behavior of other elastic properties measured for Ln-doped UO{sub 2}, such as Young's modulus. - Highlights: •Ln-doped UO{sub 2} transforms from fluorite to cotunnite at high pressure. •Transition pressure increases with increasing hyperstoichiometry. •Bulk modulus decreases with increasing Ln-dopant radius and concentration.

  9. High pressure phase behaviour of the binary mixture for the 2-hydroxyethyl methacrylate, 2-hydroxypropyl acrylate, and 2-hydroxypropyl methacrylate in supercritical carbon dioxide

    Byun, Hun-Soo; Choi, Min-Yong

    2007-01-01

    Experimental data of high pressure phase behaviour for binary mixtures of {carbon dioxide + 2-hydroxyethyl methacrylate (HEMA)}, {carbon dioxide + 2-hydroxypropyl acrylate (HPA)}, and {carbon dioxide + 2-hydroxypropyl methacrylate (HPMA)} were determined using a static type with the variable-volume cell at temperatures from (313.2 to 393.2) K and pressures up to 27.10 MPa. Among these binary experimental data, the bubble-point data were correlated with the Peng-Robinson equation of state using a van der Waals one-fluid mixing rule containing two interaction parameters (k ij and η ij ). The (carbon dioxide + HEMA), (carbon dioxide + HPA), and (carbon dioxide + HPMA) systems exhibit type-I phase behaviour. At constant pressure, the solubility of HEMA, HPA, and HPMA for the (Carbon dioxide + HEMA), (carbon dioxide + HPA), and (carbon dioxide + HPMA) systems increases as the temperature increases

  10. Effects of structural modification via high-pressure annealing on solution-processed InGaO films and thin-film transistors

    Rim, You Seung; Choi, Hyung-Wook; Kim, Kyung Hwan; Kim, Hyun Jae

    2016-01-01

    We investigated the structural modification of solution-processed nanocrystalline InGaO films via high-pressure annealing and fabricated thin-film transistors. The grain size of InGaO films annealed in the presence of oxygen under high pressure was significantly changed compared the films annealed without high pressure ambient. The O1s XPS peak distribution of InGaO films annealed under high pressure at 350 °C showed a peak similar to that of the non-pressure annealed film at 500 °C. The high-pressure annealing process promoted the elimination of organic residues and dehydroxylation of the metal hydroxide (M–OH) complex. We confirmed the improved device performance of high-pressure annealed InGaO-based thin-film transistors owing to the reduction in charge-trap density. (paper)

  11. Exploring the coordination change of vanadium and structure transformation of metavanadate MgV2O6 under high pressure

    Tang, Ruilian; Li, Yan; Xie, Shengyi; Li, Nana; Chen, Jiuhua; Gao, Chunxiao; Zhu, Pinwen; Wang, Xin

    2016-01-01

    Raman spectroscopy, synchrotron angle-dispersive X-ray diffraction (ADXRD), first-principles calculations, and electrical resistivity measurements were carried out under high pressure to investigate the structural stability and electrical transport properties of metavanadate MgV2O6. The results have revealed the coordination change of vanadium ions (from 5+1 to 6) at around 4 GPa. In addition, a pressure-induced structure transformation from the C2/m phase to the C2 phase in MgV2O6 was detected above 20 GPa, and both phases coexisted up to the highest pressure. This structural phase transition was induced by the enhanced distortions of MgO6 octahedra and VO6 octahedra under high pressure. Furthermore, the electrical resistivity decreased with pressure but exhibited different slope for these two phases, indicating that the pressure-induced structural phase transitions of MgV2O6 was also accompanied by the obvious changes in its electrical transport behavior. PMID:27924843

  12. Investigation of SSME alternate high pressure fuel turbopump lift-off seal fluid and structural dynamic interaction

    Elrod, David A.

    1989-01-01

    The Space Shuttle main engine (SSME) alternate turbopump development program (ATD) high pressure fuel turbopump (HPFTP) design utilizes an innovative lift-off seal (LOS) design that is located in close proximity to the turbine end bearing. Cooling flow exiting the bearing passes through the lift-off seal during steady state operation. The potential for fluid excitation of lift-off seal structural resonances is investigated. No fluid excitation of LOS resonances is predicted. However, if predicted LOS natural frequencies are significantly lowered by the presence of the coolant, pressure oscillations caused by synchronous whirl of the HPFTP rotor may excite a resonance.

  13. Phase behaviour and thermodynamic modelling for the system (grape seed oil + carbon dioxide + ethanol) at high pressures

    Dalmolin, Irede; Rigo, Aline A.; Corazza, Marcos L.; Ndiaye, Papa M.; Meireles, M. Angela A.; Batista, Eduardo A.C.; Oliveira, J. Vladimir

    2014-01-01

    This short communication reports phase equilibrium data (cloud points), employing the synthetic static method, for the system {grape seed oil (GSO) + carbon dioxide (CO 2 ) + ethanol} up to T = 343.15 K and 22.53 MPa. Experimental results were modelled using the Peng-Robinson equation of state with the classical van der Waals quadratic mixing rule (PR-vdW2). It is shown that the thermodynamic model is able to represent satisfactorily the phase behaviour of the system investigated

  14. Theoretical analysis of the structural phase transformation in the ZnO under high pressure

    Verma, Saligram; Jain, Arvind; Nagarch, R. K.; Shah, S.; Kaurav, Netram

    2018-05-01

    We report a phenomenological model based calculation of pressure-induced structural phase transition and elastic properties of ZnO compound. Gibb's free energy is obtained as a function of pressure by applying an effective inter ionic interaction potential, which includes the long range Coulomb, van der Waals (vdW) interaction and the short-range repulsive interaction upto second-neighbor ions within the Hafemeister and Flygare approach. From the present study, we predict a structural phase transition from ZnS structure (B3) to NaCl structure (B1) at 8.5 GPa. The estimated value of the phase transition pressure (Pt) and the magnitude of the discontinuity in volume at the transition pressure are consistent as compared to the reported data. The variations of elastic constants with pressure follow a systematic trend identical to that observed in others compounds of ZnS type structure family.

  15. Spiral chain structure of high pressure selenium-II' and sulfur-II from powder x-ray diffraction

    Fujihisa, Hiroshi; Yamawaki, Hiroshi; Sakashita, Mami; Yamada, Takahiro; Honda, Kazumasa; Akahama, Yuichi; Kawamura, Haruki; Le Bihan, Tristan

    2004-01-01

    The structure of high pressure phases, selenium-II ' (Se-II ' ) and sulfur-II (S-II), for α-Se 8 (monoclinic Se-I) and α-S 8 (orthorhombic S-I) was studied by powder x-ray diffraction experiments. Se-II ' and S-II were found to be isostructural and to belong to the tetragonal space group I4 1 /acd, which is made up of 16 atoms in the unit cell. The structure consisted of unique spiral chains with both 4 1 and 4 3 screws. The results confirmed that the structure sequence of the pressure-induced phase transitions for the group VIb elements depended on the initial molecular form. The chemical bonds of the phases are also discussed from the interatomic distances that were obtained

  16. The influence of high pressure and high temperature on the structure of ZrO sub 2 nanosolids

    Xu Da Peng; LiuShue; Wang Quan Yong; Su Wen Hui

    2002-01-01

    Using nanoparticles of ZrO sub 2 (disordered structure) prepared by the method of precipitation as starting materials, ZrO sub 2 nanosolids have been synthesized under different pressures and at different temperatures. The x-ray diffraction results show that the crystallization temperature of the nanoparticles and the temperature at which the structural cubic-monoclinic transformation occurs are obviously reduced for the nanosolids synthesized under high pressure. X-ray photoelectron spectroscopy and EPR measurements indicate that there are some Zr sup 3 sup + ions in nanosolids. With increasing pressure, the number of Zr sup 3 sup + ions in the nanosolids essentially does not vary, and yet the content of oxygen ions with unsaturated bonds and dangling bonds in the interfacial region gradually decreases. The effect of synthesis pressure on the structure and interface states is mainly due to the decrease of the interatomic distance and the increasing interdiffusion of atoms in the interface phase.

  17. First-principles predictions of structural, mechanical and electronic properties of βTiNb under high pressure

    Wang, Z. P.; Fang, Q. H.; Li, J.; Liu, B.

    2018-04-01

    Structural, mechanical and electronic properties of βTiNb alloy under high pressure have been investigated based on the density functional theory (DFT). The dependences of dimensionless volume ratio, elastic constants, bulk modulus, Young's modulus, shear modulus, ductile/brittle, anisotropy and Poisson's ratio on applied pressure are all calculated successfully. The results reveal that βTiNb alloy is mechanically stable under pressure below 23.45 GPa, and the pressure-induced phase transformation could occur beyond this critical value. Meanwhile, the applied pressure can effectively promote the mechanical properties of βTiNb alloy, including the resistances to volume change, elastic deformation and shear deformation, as well as the material ductility and metallicity. Furthermore, the calculated electronic structures testify that βTiNb alloy performs the metallicity and the higher pressure reduces the structural stability of unit cell.

  18. Superconducting and Structural Transitions in the β-Pyrochlore Oxide KOs2O6 under High Pressure

    Ogusu, Hiroki; Takeshita, Nao; Izawa, Koichi; Yamaura, Jun-ichi; Ohishi, Yasuo; Tsutsui, Satoshi; Okamoto, Yoshihiko; Hiroi, Zenji

    2010-11-01

    Rattling-induced superconductivity in the β-pyrochlore oxide KOs2O6 is investigated under high pressure up to 5 GPa. Resistivity measurements in a high-quality single crystal reveal a gradual decrease in the superconducting transition temperature Tc from 9.7 K at 1.0 GPa to 6.5 K at 3.5 GPa, followed by a sudden drop to 3.3 K at 3.6 GPa. Powder X-ray diffraction experiments show a structural transition from cubic to monoclinic or triclinic at a similar pressure. The sudden drop in Tc is ascribed to this structural transition, by which an enhancement in Tc due to a strong electron-rattler interaction present in the low-pressure cubic phase is abrogated as the rattling of the K ion is completely suppressed or weakened in the high-pressure phase of reduced symmetry. In addition, we find two anomalies in the temperature dependence of resistivity in the low-pressure phase, which may be due to subtle changes in rattling vibration.

  19. Effects of high-speed homogenization and high-pressure homogenization on structure of tomato residue fibers.

    Hua, Xiao; Xu, Shanan; Wang, Mingming; Chen, Ying; Yang, Hui; Yang, Ruijin

    2017-10-01

    Tomato residue fibers obtained after derosination and deproteinization were processed by high-speed homogenization (HSH) and high-pressure homogenization (HPH), and their effects on fiber structure was investigated, respectively. Characterizations including particle size distribution, SEM, TEM and XRD were performed. HSH could break raw fibers to small particles of around 60μm, while HPH could reshape fibers to build network structure. Microfibrils were released and their nanostructure consisting of elementary fibrils was observed by TEM. XRD patterns indicated both HSH and HPH could hardly alter the nanostructure of the fibers. Physicochemical properties including expansibility, WHC and OHC were determined. Both HSH and HPH could increase the soluble fiber content by about 8%, but HSH-HPH combined processing did not show better result. Acid (4mol/L HCl) was used in replacement of water medium and the acidic degradation of fibers could be promoted by high speed shearing or high pressure processing. Copyright © 2017 Elsevier Ltd. All rights reserved.

  20. 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

    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).

  1. Revisiting local structural changes in GeO2 glass at high pressure.

    Dong, Juncai; Yao, HuRong; Guo, Zhiying; Jia, Quanjie; Wang, Yan; An, Pengfei; Gong, Yu; Liang, Yaxiang; Chen, Dongliang

    2017-09-18

    Despite the great importance in fundamental and industrial fields, understanding structural changes for pressure-induced polyamorphism in network-forming glasses remains a formidable challenge. Here, we revisited the local structural transformations in GeO2 glass up to 54 GPa using x-ray absorption fine structure (XAFS) spectroscopy via a combination diamond anvil cell and polycapillary half-lens. Three polyamorphic transitions can be clearly identified by XAFS structure refinement. First, a progressive increase of the nearest Ge-O distance and bond disorder to a maximum at ~5-16 GPa, in the same pressure region of previously observed tetrahedral-octahedral transformation. Second, a markedly decrease of the nearest Ge-O distance at ~16-22.6 GPa but a slight increase at ~22.6-32.7 GPa, with a concomitant decrease of bond disorder. This stage can be related to a second-order-like transition from less dense to dense octahedral glass. Third, another decrease in the nearest Ge-O distance at ~32.7-41.4 GPa but a slight increase up to 54 GPa, synchronized with a gradual increase of bond disorder. This stage provides strong evidence for ultrahigh-pressure polyamorphism with coordination number >6. Furthermore, cooperative modification is observed in more distant shells. Those results provide a unified local structural picture for elucidating the polyamorphic transitions and densification process in GeO2 glass. © 2017 IOP Publishing Ltd.

  2. Revisiting local structural changes in GeO2 glass at high pressure.

    Dong, Juncai; Yao, Hurong; Guo, Zhiying; Jia, Quanjie; Wang, Yan; An, Pengfei; Gong, Yu; Liang, Yaxiang; Chen, Dongliang

    2017-10-20

    Despite the great importance in fundamental and industrial fields, understanding structural changes for pressure-induced polyamorphism in network-forming glasses remains a formidable challenge. Here, we revisited the local structural transformations in GeO 2 glass up to 54 GPa using x-ray absorption fine structure (XAFS) spectroscopy via a combination diamond anvil cell and polycapillary half-lens. Three polyamorphic transitions can be clearly identified by XAFS structure refinement. First, a progressive increase of the nearest Ge-O distance and bond disorder to a maximum at ~5-16 GPa, in the same pressure region of previously observed tetrahedral-octahedral transformation. Second, a marked decrease of the nearest Ge-O distance at ~16-22.6 GPa but a slight increase at ~22.6-32.7 GPa, with a concomitant decrease of bond disorder. This stage can be related to a second-order-like transition from less dense to dense octahedral glass. Third, another decrease in the nearest Ge-O distance at ~32.7-41.4 GPa but a slight increase up to 54 GPa, synchronized with a gradual increase of bond disorder. This stage provides strong evidence for ultrahigh-pressure polyamorphism with coordination number  >6. Furthermore, cooperative modification is observed in more distant shells. Those results provide a unified local structural picture for elucidating the polyamorphic transitions and densification process in GeO 2 glass.

  3. Structural and electronic properties of high pressure phases of lead chalcogenides

    Petersen, John; Scolfaro, Luisa; Myers, Thomas

    2012-10-01

    Lead chalcogenides, most notably PbTe and PbSe, have become an active area of research due to their thermoelectric properties. The high figure of merit (ZT) of these materials has brought much attention to them, due to their ability to convert waste heat into electricity. Variation in synthesis conditions gives rise to a need for analysis of structural and thermoelectric properties of these materials at different pressures. In addition to the NaCl structure at ambient conditions, lead chalcogenides have a dynamic orthorhombic (Pnma) intermediate phase and a higher pressure yet stable CsCl phase. By altering the lattice constant, we simulate the application of external pressure; this has notable effects on ground state total energy, band gap, and structural phase. Using the General Gradient Approximation (GGA) in Density Functional Theory (DFT), we calculate the phase transition pressures by finding the differences in enthalpy from total energy calculations. For each phase, elastic constants, bulk modulus, shear modulus, Young's modulus, and hardness are calculated, using two different approaches. In addition to structural properties, we analyze the band structure and density of states at varying pressures, paying special note to thermoelectric implications.

  4. Structural, electronic and vibrational properties of lanthanide monophosphide at high pressure

    Panchal, J. M., E-mail: amitjignesh@yahoo.co.in [Government Engineering College, Gandhinagar382028, Gujarat (India); Department of Physics, University School of Sciences, Gujarat University, Ahmedabad 380009, Gujarat (India); Joshi, Mitesh [Government Polytechnic for Girls, Athwagate, Surat395001, Gujarat (India); Gajjar, P. N., E-mail: pngajjar@rediffmail.com [Department of Physics, University School of Sciences, Gujarat University, Ahmedabad 380009, Gujarat (India)

    2016-05-06

    A first-principles plane wave self-consistent method with the ultra-soft-pseudopotential scheme in the framework of the density functional theory (DFT) is performed to study structural, electronic and vibrational properties of LaP for Rock-salt (NaCl/Bl) and Cesium-chloride (CsCl/B2) phases. The instability of Rock-salt (NaCl/Bl) phases around the transition is discussed. Conclusions based on electronic energy band structure, density of state, phonon dispersion and phonon density of states in both phases are outlined. The calculated results are consistence and confirm the successful applicability of quasi-harmonic phonon theory for structural instability studies for the alloys.

  5. Elastic, thermal and high pressure structural properties of heavy rare earth antimonides

    Soni, P.; Pagare, G.; Sanyal, S.P.

    2009-01-01

    Pressure induced structural phase transition of two heavy rare earth antimonides (RESb; RE=Ho, Er) have been studied theoretically by using an inter-ionic potential theory. This method has been found quite satisfactory in the case of pnictides of rare earth and describes the crystal properties in the framework of rigid-ion modal. The long-range Coulomb interaction, short-range repulsive interaction and van der Waals (vdW) interactions are properly incorporated in this theory. These compounds exhibit first order crystallographic phase transition from their NaCl-type structure to CsCl-type structure at 27 GPa and 33.2 GPa, respectively. The bulk moduli of RESb compounds are compared with the experimental values of elastic constants. We have also calculated the Debye temperature by incorporating the elastic constants for both the rare earth antimonides. (author)

  6. Structural, electronic and vibrational properties of lanthanide monophosphide at high pressure

    Panchal, J. M.; Joshi, Mitesh; Gajjar, P. N.

    2016-01-01

    A first-principles plane wave self-consistent method with the ultra-soft-pseudopotential scheme in the framework of the density functional theory (DFT) is performed to study structural, electronic and vibrational properties of LaP for Rock-salt (NaCl/Bl) and Cesium-chloride (CsCl/B2) phases. The instability of Rock-salt (NaCl/Bl) phases around the transition is discussed. Conclusions based on electronic energy band structure, density of state, phonon dispersion and phonon density of states in both phases are outlined. The calculated results are consistence and confirm the successful applicability of quasi-harmonic phonon theory for structural instability studies for the alloys.

  7. Na2TiGeO5: Crystal structure stability at low temperature and high pressure

    Waskowska, A.; Gerward, Leif; Olsen, J.S.

    2008-01-01

    The temperature evolution of the lattice parameters measured from 295 to 125 K exhibits a small instability below T-c approximate to 278 K, indicating ferroelastic properties of Na2TiGeO5. The behavior is related to the specific crystal structure built of polyhedral layers with shared TiO5 pyrami...

  8. Modelling the fluid structure interaction produced by a waterhammer during shutdown of high-pressure pumps

    Erath, W.; Nowotny, B.; Maetz, J.

    1999-01-01

    Measurements of an experiment in a pipe system with pump shutdown and valve closing have been performed in the nuclear power plant KRB II (Gundremmingen, Germany). Comparative calculations of fluid and structure including interaction show an excellent agreement with the measured results. Theory and implementation of the fluid structure interaction (FSI) and the results of the comparison are described. The following measurements have been compared with calculations: (1) experiments in Delft, Netherlands to analyse the FSI; and (2) experiment with pump shutdown and valve closing in the nuclear power plant KRB II has been performed. It turns out, that the consideration of the FSI is necessary for an exact calculation of 'soft' piping systems. It has significant application in current waterhammer problems. For example, water column closure, vapour collapse, check valve slamming continues to create waterhammers in the energy industry. An important consequence of the FSI is mostly a significant increase of the effective structural damping. This mitigates - so far in all KED's calculations the FSI has taken into account - an amplification of pipe movements due to pressure waves in resonance with structural eigenvalues. To investigate the integrity of pipe systems pipe stresses are calculated. Taking FSI into account they are reduced by 10-40% in the actual case. (orig.)

  9. Structural phase transition and failure of nanographite sheets under high pressure: a molecular dynamics study

    Zhang Bin; Liang Yongcheng; Sun Huiyu

    2007-01-01

    Nanographite sheets under high compressive stresses at ambient temperature have been investigated through molecular dynamics simulations using the Tersoff-Brenner potential. Nanographite undergoes a soft to hard phase transition at a certain compressive stress, about 15 GPa. With increasing compressions, the bonding structures of nanographite are changed, interlayer sp 3 -bonds are formed, and nanographite transforms into a superhard carbon phase (SCP). Further compressions lead to the instabilities of the SCP. Although the detailed lattice structure of the SCP remains elusive, its compressive strength can approach 150 GPa, comparable to that of diamond. The maximum failure stresses of nanographite sheets are sensitive to the inter-and intra-layer interstices. Our results may explain paradoxical experimental results in the available literature

  10. Structural distortions in 5-10 nm silver nanoparticles under high pressure

    Koski, Kristie J.; Kamp, Noelle M.; Kunz, Martin; Knight, Jason K.; Alivisatos, A.P.; Smith, R.K.

    2008-10-13

    We present experimental evidence that silver nanoparticles in the size range of 5-10 nm undergo a reversible structural transformation under hydrostatic pressures up to 10 GPa. We have used x-ray diffraction with a synchrotron light source to investigate pressure-dependent and size-dependent trends in the crystal structure of silver nanoparticles in a hydrostatic medium compressed in a diamond-anvil cell. Results suggest a reversible linear pressure-dependent rhombohedral distortion which has not been previously observed in bulk silver. We propose a mechanism for this transition that considers the bond-length distribution in idealized multiply twinned icosahedral particles. To further support this hypothesis, we also show that similar measurements of single-crystal platinum nanoparticles reveal no such distortions.

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

    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.

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

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

    2016-01-01

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

  13. Structural Modification of Platinum Model Systems under High Pressure CO Annealing

    McCarthy, David Norman; Strebel, Christian Ejersbo; Johansson, Tobias Peter

    2012-01-01

    relation between surface atom coordination, and the desorption temperature of CO. Investigation of these structural features was then made for CO dosing pressures in the mbar range. Intriguingly, from the mbar pressure experiments it was observed that elevated CO pressures enhanced the annealing of the Pt......Using temperature-programmed desorption experiments, we have studied the coordination dependent adsorption of CO on a platinum (Pt) single crystal, and mass-selected Pt nanoparticles in the size range of 3 to 11 nm, for CO dosing pressures in 10–7 mbar and mbar ranges. From low pressure CO...... adsorption experiments on the Pt(111) crystal, we establish a clear link between the degree of presputtering of the surface prior to CO adsorption, and the amount of CO bound at high temperature. It was found that for rougher surfaces, i.e., with more undercoordinated surface atoms, a feature appears...

  14. Steady State Structural Analysis of High Pressure Gas Turbine Blade using Finite Element Analysis

    Mazarbhuiya, Hussain Mahamed Sahed Mostafa; Murari Pandey, Krishna

    2017-08-01

    In gas turbines the major portion of performance dependency lies upon turbine blade design. Turbine blades experience very high centrifugal, axial and tangential force during power generation. While withstanding these forces blades undergo elongation. Different methods have proposed for better enhancement of the mechanical properties of blade to withstand in extreme condition. Present paper describes the stress and elongation for blades having properties of different materials. Steady state structural analysis have performed in the present work for different materials (In 625, In 718, In 738, In 738 LC, MAR M246, Ni-Cr, Ti-alloy, Ti-Al, Ti-T6, U500). Remarkable finding is that the root of the blade is subjected to maximum stress for all blade materials and the blade made of MAR M246 has less stress and deformation among all other blade materials which can be selected as a suitable material for gas turbine blade.

  15. Structure Optimization and Numerical Simulation of Nozzle for High Pressure Water Jetting

    Shuce Zhang

    2015-01-01

    Full Text Available Three kinds of nozzles normally used in industrial production are numerically simulated, and the structure of nozzle with the best jetting performance out of the three nozzles is optimized. The R90 nozzle displays the most optimal jetting properties, including the smooth transition of the nozzle’s inner surface. Simulation results of all sample nozzles in this study show that the helix nozzle ultimately displays the best jetting performance. Jetting velocity magnitude along Y and Z coordinates is not symmetrical for the helix nozzle. Compared to simply changing the jetting angle, revolving the jet issued from the helix nozzle creates a grinding wheel on the cleaning surface, which makes not only an impact effect but also a shearing action on the cleaning object. This particular shearing action improves the cleaning process overall and forms a wider, effective cleaning range, thus obtaining a broader jet width.

  16. Structural and elastic properties of defect chalcopyrite HgGa{sub 2}S{sub 4} under high pressure

    Gomis, O., E-mail: osgohi@fis.upv.es [Centro de Tecnologías Físicas: Acústica, Materiales y Astrofísica, MALTA Consolider Team, Universitat Politècnica de València, 46022 València (Spain); Santamaría-Pérez, D. [Departamento de Física Aplicada-ICMUV, MALTA Consolider Team, Universitat de València, Edificio de Investigación, C/Dr. Moliner 50, Burjassot, 46100 València (Spain); Departamento de Química Física I, Universidad Complutense de Madrid, MALTA Consolider Team, Avenida Complutense s/n, 28040 Madrid (Spain); Vilaplana, R.; Luna, R. [Centro de Tecnologías Físicas: Acústica, Materiales y Astrofísica, MALTA Consolider Team, Universitat Politècnica de València, 46022 València (Spain); Sans, J.A.; Manjón, F.J. [Instituto de Diseño para la Fabricación y Producción Automatizada, MALTA Consolider Team, Universitat Politècnica de València, 46022 València (Spain); Errandonea, D. [Departamento de Física Aplicada-ICMUV, MALTA Consolider Team, Universitat de València, Edificio de Investigación, C/Dr. Moliner 50, Burjassot, 46100 València (Spain); and others

    2014-01-15

    Highlights: • Single crystals of HgGa{sub 2}S{sub 4} with defect-chalcopyrite (DC) structure were synthesized. • High-pressure X-ray diffraction in DC-HgGa{sub 2}S{sub 4} was performed. • Equation of state of DC-HgGa{sub 2}S{sub 4} determined (bulk modulus of 48.4 GPa). • Calculated elastic constants of DC-HgGa{sub 2}S{sub 4} reported at different pressures. • DC-HgGa{sub 2}S{sub 4} becomes mechanically unstable above 13.8 GPa. -- Abstract: In this work, we focus on the study of the structural and elastic properties of mercury digallium sulfide (HgGa{sub 2}S{sub 4}) at high pressures. This compound belongs to the family of AB{sub 2}X{sub 4} ordered-vacancy compounds and exhibits a tetragonal defect chalcopyrite structure. X-ray diffraction measurements at room temperature have been performed under compression up to 15.1 GPa in a diamond anvil cell. Our measurements have been complemented and compared with ab initio total energy calculations. The axial compressibility and the equation of state of the low-pressure phase of HgGa{sub 2}S{sub 4} have been experimentally and theoretically determined and compared to other related ordered-vacancy compounds. The pressure dependence of the theoretical cation–anion and vacancy-anion distances and compressibilities in HgGa{sub 2}S{sub 4} are reported and discussed in comparison to other related ordered-vacancy compounds. Finally, the pressure dependence of the theoretical elastic constants and elastic moduli of HgGa{sub 2}S{sub 4} has been studied. Our calculations indicate that the low-pressure phase of HgGa{sub 2}S{sub 4} becomes mechanically unstable above 13.8 GPa.

  17. Structural and optical studies of FeSb{sub 2} under high pressure

    Poffo, C.M.; Souza, S.M.; Triches, D.M. [Departamento de Engenharia Mecanica, Universidade Federal de Santa Catarina, Campus Universitario Trindade, S/N, C.P. 476, 88040-900 Florianopolis, Santa Catarina (Brazil); Lima, J.C. de, E-mail: fsc1jcd@fisica.ufsc.br [Departamento de Fisica, Universidade Federal de Santa Catarina, Campus Universitario Trindade, S/N, C.P. 476, 88040-900 Florianopolis, Santa Catarina (Brazil); Grandi, T.A. [Departamento de Fisica, Universidade Federal de Santa Catarina, Campus Universitario Trindade, S/N, C.P. 476, 88040-900 Florianopolis, Santa Catarina (Brazil); Polian, A.; Gauthier, M. [Physique des Milieux Denses, IMPMC, CNRS-UMR 7590, Universite Pierre et Marie Curie-Paris 6, B115, 4 Place Jussieu, 75252 Paris Cedex 05 (France)

    2012-12-15

    Nanostructured orthorhombic FeSb{sub 2} was formed along with an amorphous phase, by mechanical alloying from a mixture of Fe and Sb powders. The influence of pressure on the structural and optical properties of the material was investigated by X-ray diffraction (XRD) and Raman spectroscopy (RS) up to 28.2 and 45.2 GPa, respectively. The volume fraction of the amorphous phase increased with increasing pressure. For pressures above 14.3 GPa, a tetragonal FeSb{sub 2} phase was also observed. For the orthorhombic FeSb{sub 2} phase, the pressure dependence of the volume fitted to a Birch-Murnaghan equation of state gave a bulk modulus B{sub 0}=75.5{+-}3.2 GPa, and its derivative B{sub 0}{sup Prime }=7.2{+-}0.7. For the orthorhombic FeSb{sub 2} phase, the Raman active A{sub g}{sup 2} mode was observed up to 28.3 GPa, while the B{sub 1g}{sup 2} mode was not for pressures larger than 14 GPa. For pressures above 21 GPa, the Raman active A{sub 1g} mode of a tetragonal FeSb{sub 2} phase was observed.

  18. High pressure and temperature structure of liquid and solid Cd: implications for the melting curve of Cd

    Raju, S V; Williams, Q; Geballe, Z M; Godwal, B K; Jeanloz, R; Kalkan, B

    2014-01-01

    The structure of cadmium was characterized in both the solid and liquid forms at pressures to 10 GPa using in situ x-ray diffraction measurements in a resistively heated diamond anvil cell. The distorted hexagonal structure of solid cadmium persists at high pressures and temperatures, with anomalously large c/a ratio of Cd becoming larger as the melting curve is approached. The measured structure factor S(Q) for the melt reveals that the cadmium atoms are spaced about 0.6 Angstroms apart. The melt structure remains notably constant with increasing pressure, with the first peak in the structure factor remaining mildly asymmetric, in accord with the persistence of an anisotropic bonding environment within the liquid. Evolution of powder diffraction patterns up to the temperature of melting revealed the stability of the ambient-pressure hcp structure up to a pressure of 10 GPa. The melting curve has a positive Clausius–Clapeyron slope, and its slope is in good agreement with data from other techniques. We find deviations in the melting curve from Lindemann law type behavior for pressures above 1 GPa. (paper)

  19. Water properties and structure of pork sausages as affected by high-pressure processing and addition of carrot fibre

    Møller, Sandie Mejer; Grossi, Alberto Blak; Christensen, Mette

    2011-01-01

    The effects of high-pressure processing (HPP) and addition of carrot fibre on pork sausages have been studied using NMR T(2) relaxometry and measurements of water-binding capacity (WBC) by centrifugation. Significant effects of temperature (raw, 40, 50, or 60°C), holding time (1s, 3, 6, or 9min......), and addition of carrot fibre on the distribution and mobility of water were found. However, the effect of carrot fibre could not be explained by structural changes in the sausages when examined by confocal laser scanning microscopy (CLSM). Correlations between T(2) relaxation measurements and WBC determined...... by centrifugation revealed that T(2) relaxation times were able to explain more than 90% of the variation in WBC for both non-pressure and pressure-treated sausages. However, only 49% of the variation was explained for pressure-treated sausages with carrot fibre, indicating that combining addition of fibre and high...

  20. Physical and structural changes induced by high pressure on corn starch, rice flour and waxy rice flour.

    Cappa, Carola; Lucisano, Mara; Barbosa-Cánovas, Gustavo V; Mariotti, Manuela

    2016-07-01

    The impact of high pressure (HP) processing on corn starch, rice flour and waxy rice flour was investigated as a function of pressure level (400MPa; 600MPa), pressure holding time (5min; 10min), and temperature (20°C; 40°C). Samples were pre-conditioned (final moisture level: 40g/100g) before HP treatments. Both the HP treated and the untreated raw materials were evaluated for pasting properties and solvent retention capacity, and investigated by differential scanning calorimetry, X-ray diffractometry and environmental scanning electron microscopy. Different pasting behaviors and solvent retention capacities were evidenced according to the applied pressure. Corn starch presented a slower gelatinization trend when treated at 600MPa. Corn starch and rice flour treated at 600MPa showed a higher retention capacity of carbonate and lactic acid solvents, respectively. Differential scanning calorimetry and environmental scanning electron microscopy investigations highlighted that HP affected the starch structure of rice flour and corn starch. Few variations were evidenced in waxy rice flour. These results can assist in advancing the HP processing knowledge, as the possibility to successfully process raw samples in a very high sample-to-water concentration level was evidenced. This work investigates the effect of high pressure as a potential technique to modify the processing characteristics of starchy materials without using high temperature. In this case the starches were processed in the powder form - and not as a slurry as in previously reported studies - showing the flexibility of the HP treatment. The relevance for industrial application is the possibility to change the structure of flour starches, and thus modifying the processability of the mentioned products. Copyright © 2016 Elsevier Ltd. All rights reserved.

  1. The influence of selected containment structures on debris dispersal and transport following high pressure melt ejection from the reactor vessel

    Pilch, M.; Tarbell, W.W.; Brockmann, J.E.

    1988-09-01

    High pressure expulsion of molten core debris from the reactor pressure vessel may result in dispersal of the debris from the reactor cavity. In most plants, the cavity exits into the containment such that the debris impinges on structures. Retention of the debris on the structures may affect the further transport of the debris throughout the containment. Two tests were done with scaled structural shapes placed at the exit of 1:10 linear scale models of the Zion cavity. The results show that the debris does not adhere significantly to structures. The lack of retention is attributed to splashing from the surface and reentrainment in the gas flowing over the surface. These processes are shown to be applicable to reactor scale. A third experiment was done to simulate the annular gap between the reactor vessel and cavity wall. Debris collection showed that the fraction of debris exiting through the gap was greater than the gap-to-total flow area ratio. Film records indicate that dispersal was primarily by entrainment of the molten debris in the cavity. 29 refs., 36 figs., 11 tabs

  2. Theoretical analysis of the structural phase transformation from B3 to B1 in BeO under high pressure

    Jain, Arvind; Verma, Saligram; Nagarch, R. K.; Shah, S.; Kaurav, Netram

    2018-05-01

    We have performed the phase transformation and elastic properties of BeO at high pressure by formulating effective interionic interaction potential. The elastic constants, including the long-range Coulomb and van der Waals (vdW) interactions and the short-range repulsive interaction of up to second-neighbor ions within the Hafemeister and Flygare approach, are derived. Assuming that both the ions are polarizable, we employed the Slater-Kirkwood variational method to estimate the vdW coefficients, a structural phase transition (Pt) from ZnS structure (B3) to NaCl structure (B1) at 108 GPa has been predicted for BeO. The estimated value of the phase transition pressure (Pt) and the magnitude of the discontinuity in volume at the transition pressure are consistent as compared to the theoretical data. The variations of elastic constants with pressure follow a systematic trend identical to that observed in others compounds of ZnS type structure family.

  3. Effect of high pressure homogenization on the structure and the interfacial and emulsifying properties of β-lactoglobulin.

    Ali, Ali; Le Potier, Isabelle; Huang, Nicolas; Rosilio, Véronique; Cheron, Monique; Faivre, Vincent; Turbica, Isabelle; Agnely, Florence; Mekhloufi, Ghozlene

    2018-02-15

    The effect of high pressure homogenization (HPH) on the structure of β-lactoglobulin (β-lg) was studied by combining spectroscopic, chromatographic, and electrophoretic methods. The consequences of the resulting structure modifications on oil/water (O/W) interfacial properties were also assessed. Moderated HPH treatment (100 MPa/4 cycles) showed no significant modification of protein structure and interfacial properties. However, a harsher HPH treatment (300 MPa/5 cycles) induced structural transformation, mainly from β-sheets to random coils, wide loss in lipocalin core, and protein aggregation via intermolecular disulfide bridges. HPH-modified β-lg displayed higher surface hydrophobicity leading to a faster adsorption rate at the interface and an earlier formation of an elastic interfacial film at C β-lg  = 0.1 wt%. However, no modification of the interfacial properties was observed at C β-lg  = 1 wt%. At this protein concentration, the prior denaturation of β-lg by HPH did not modify the droplet size of nanoemulsions prepared with these β-lg solutions as the aqueous phases. A slightly increased creaming rate was however observed. The effects of HPH and heat denaturations appeared qualitatively similar, but with differences in their extent. Copyright © 2017 Elsevier B.V. All rights reserved.

  4. Special structures and properties of hydrogen nanowire confined in a single walled carbon nanotube at extreme high pressure

    Yueyuan Xia

    2012-06-01

    Full Text Available Extensive ab initio molecular dynamics simulations indicate that hydrogen can be confined in single walled carbon nanotubes to form high density and high pressure H2 molecular lattice, which has peculiar shell and axial structures depending on the density or pressure. The band gap of the confined H2 lattice is sensitive to the pressure. Heating the system at 2000K, the H2 lattice is firstly melted to form H2 molecular liquid, and then some of the H2 molecules dissociate accompanied by drastic molecular and atomic reactions, which have essential effect on the electronic structure of the hydrogen system. The liquid hydrogen system at 2000K is found to be a particular mixed liquid, which consists of H2 molecules, H atoms, and H-H-H trimers. The dissociated H atoms and the trimers in the liquid contribute resonance electron states at the Fermi energy to change the material properties substantially. Rapidly cooling the system from 2000K to 0.01 K, the mixed liquid is frozen to form a mixed solid melt with a clear trend of band gap closure. It indicates that this solid melt may become a superconducting nanowire when it is further compressed.

  5. Structural and electronic response of U{sub 3}Fe{sub 4}Ge{sub 4} to high pressure

    Henriques, M. S., E-mail: henriques@fzu.cz [Institute of Physics, Academy of Sciences of the Czech Republic, Na Slovance 2, 182 21 Prague (Czech Republic); CCTN, IST/CFMCUL, University of Lisbon, Nuclear and Technological Campus, P-2695-066 Bobadela (Portugal); Gorbunov, D. I.; Andreev, A. V.; Arnold, Z. [Institute of Physics, Academy of Sciences of the Czech Republic, Na Slovance 2, 182 21 Prague (Czech Republic); Prchal, J.; Havela, L. [Faculty of Mathematics and Physics, Department of Condensed Matter Physics, Charles University in Prague, Ke Karlovu 5, 121 16 Prague (Czech Republic); Raison, P.; Heathman, S.; Griveau, J.-C.; Colineau, E. [European Commission, Joint Research Centre, Institute for Transuranium Elements, Postfach 2340, 76125 Karlsruhe (Germany); Gonçalves, A. P. [CCTN, IST/CFMCUL, University of Lisbon, Nuclear and Technological Campus, P-2695-066 Bobadela (Portugal)

    2015-03-21

    Structural, magnetic, and electrical properties have been studied on a U{sub 3}Fe{sub 4}Ge{sub 4} single crystal under hydrostatic pressure. The orthorhombic crystal structure is found to be stable up to 30 GPa, the highest applied pressure, but the compressibility is strongly anisotropic. Contrary to typical uranium intermetallics for which the softest lattice direction is along the shortest inter-uranium links, in U{sub 3}Fe{sub 4}Ge{sub 4} the lattice is compressed most in a perpendicular direction for the high pressure range. The elastic properties are modified considerably in the vicinity of 1 GPa when the b axis is transformed from least compressible to most compressible. The bulk modulus is found to be about 150 GPa. The anomalies in the elastic properties are reflected in the electronic properties that consistently indicate a change of the magnetic ground state from ferromagnetic to antiferromagnetic. Both types of order exhibit a gap in the magnon spectrum; however, it is twice as high for the ferromagnetic state. The magnetoresistance reveals field-induced transitions of different origins in the antiferromagnetic state along the easy and hard magnetization directions.

  6. High-pressure synthesis and crystal structure of In{sub 3}B{sub 5}O{sub 12}

    Vitzthum, Daniela; Schauperl, Michael; Liedl, Klaus R.; Huppertz, Hubert [Univ. Innsbruck (Austria). Inst. fuer Allgemeine, Anorganische und Theoretische Chemie

    2017-03-01

    Orthorhombic In{sub 3}B{sub 5}O{sub 12} was synthesized in a Walker-type multianvil apparatus under high-pressure/high-temperature conditions of 12.2 GPa and 1500 C. Its structure is isotypic to the rare earth analogs RE{sub 3}B{sub 5}O{sub 12} (RE=Sc, Er-Lu). In the field of indium borate chemistry, In{sub 3}B{sub 5}O{sub 12} is the third known ternary indium borate besides InBO{sub 3} and InB{sub 5}O{sub 9}. The crystal structure of In{sub 3}B{sub 5}O{sub 12} has been determined via single-crystal X-ray diffraction data collected at room temperature. It crystallizes in the orthorhombic space group Pmna with the lattice parameters a=12.570(2), b=4.5141(4), c=12.397(2) Aa, and V=703.4(2) Aa{sup 3}. IR and Raman bands of In{sub 3}B{sub 5}O{sub 12} were theoretically determined and assigned to experimentally recorded spectra.

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

    Tang, David Chi-Wai

    2005-01-01

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

  8. Structural behavior of Tl-exchanged natrolite at high pressure depending on the composition of pressure-transmitting medium

    Seryotkin, Yu. V.; Bakakin, V. V.; Likhacheva, A. Yu.; Dementiev, S. N.; Rashchenko, S. V.

    2017-10-01

    The structural evolution of Tl-exchanged natrolite with idealized formula Tl2[Al2Si3O10]·2H2O, compressed in penetrating (water:ethanol 1:1) and non-penetrating (paraffin) media, was studied up to 4 GPa. The presence of Tl+ with non-bonded electron lone pairs, which can be either stereo-chemically active or passive, determines distinctive features of the high-pressure behavior of the Tl-form. The effective volume of assemblages Tl+(O,H2O) n depends on the E-pairs activity: single-sided coordination correlates with smaller volumes. At ambient conditions, there are two types of Tl positions, only one of them having a nearly single-sided coordination as a characteristic of stereo-activity of the Tl+ E pair. Upon the compression in paraffin, a phase transition occurs: a 5% volume contraction of flexible natrolite framework is accompanied by the conversion of all the Tl+ cations into stereo-chemically active state with a single-sided coordination. This effect requires the reconstruction of all the extra-framework subsystems with the inversion of the cation and H2O positions. The compression in water-containing medium leads to the increase of H2O content up to three molecules pfu through the filling of partly vacant positions. This hinders a single-sided coordination of Tl ions and preserves the configuration of their ion-molecular subsystem. It is likely that the extra-framework subsystem is responsible for the super-structure modulation.

  9. High-pressure modulation of the structure of the bacterial photochemical reaction center at physiological and cryogenic temperatures

    Timpmann, Kõu; Kangur, Liina; Lõhmus, Ants; Freiberg, Arvi

    2017-07-01

    The optical absorption and fluorescence response to external high pressure of the reaction center membrane chromoprotein complex from the wild-type non-sulfur photosynthetic bacterium Rhodobacter sphaeroides was investigated using the native pigment cofactors as local molecular probes of the reaction center structure at physiological (ambient) and cryogenic (79 K) temperatures. In detergent-purified complexes at ambient temperature, abrupt blue shift and accompanied broadening of the special pair band was observed at about 265 MPa. These reversible in pressure features were assigned to a pressure-induced rupture of a lone hydrogen bond that binds the photo-chemically active L-branch primary electron donor bacteriochlorophyll cofactor to the surrounding protein scaffold. In native membrane-protected complexes the hydrogen bond rupture appeared significantly restricted and occurred close to about 500 MPa. The free energy change associated with the rupture of the special pair hydrogen bond in isolate complexes was estimated to be equal to about 12 kJ mol-1. In frozen samples at cryogenic temperatures the hydrogen bond remained apparently intact up to the maximum utilized pressure of 600 MPa. In this case, however, heterogeneous spectral response of the cofactors from the L-and M-branches was observed due to anisotropic build-up of the protein structure. While in solid phase, the special pair fluorescence as a function of pressure exactly followed the respective absorption spectrum at a constant Stokes shift, at ambient temperature, the two paths began to deviate strongly from one other at the hydrogen bond rupture pressure. This effect was tentatively interpreted by different emission properties of hydrogen-bound and hydrogen-unbound special pair exciton states.

  10. Structural stability at high pressure, electronic, and magnetic properties of BaFZnAs: A new candidate of host material of diluted magnetic semiconductors

    Chen Bi-Juan; Deng Zheng; Wang Xian-Cheng; Feng Shao-Min; Yuan Zhen; Zhang Si-Jia; Liu Qing-Qing; Jin Chang-Qing

    2016-01-01

    The layered semiconductor BaFZnAs with the tetragonal ZrCuSiAs-type structure has been successfully synthesized. Both the in-situ high-pressure synchrotron x-ray diffraction and the high-pressure Raman scattering measurements demonstrate that the structure of BaFZnAs is stable under pressure up to 17.5 GPa at room temperature. The resistivity and the magnetic susceptibility data show that BaFZnAs is a non-magnetic semiconductor. BaFZnAs is recommended as a candidate of the host material of diluted magnetic semiconductor. (special topic)

  11. Seismic behaviour of geotechnical structures

    F. Vinale

    2002-06-01

    Full Text Available This paper deals with some fundamental considerations regarding the behaviour of geotechnical structures under seismic loading. First a complete definition of the earthquake disaster risk is provided, followed by the importance of performing site-specific hazard analysis. Then some suggestions are provided in regard to adequate assessment of soil parameters, a crucial point to properly analyze the seismic behaviour of geotechnical structures. The core of the paper is centered on a critical review of the analysis methods available for studying geotechnical structures under seismic loadings. All of the available methods can be classified into three main classes, including the pseudo-static, pseudo-dynamic and dynamic approaches, each of which is reviewed for applicability. A more advanced analysis procedure, suitable for a so-called performance-based design approach, is also described in the paper. Finally, the seismic behaviour of the El Infiernillo Dam was investigated. It was shown that coupled elastoplastic dynamic analyses disclose some of the important features of dam behaviour under seismic loading, confirmed by comparing analytical computation and experimental measurements on the dam body during and after a past earthquake.

  12. High Pressure and Temperature Effects in Polymers

    Bucknall, David; Arrighi, Valeria; Johnston, Kim; Condie, Iain

    Elastomers are widely exploited as the basis for seals in gas and fluid pipelines. The underlying behaviour of these elastomer at the high pressure, elevated temperatures they experience in operation is poorly understood. Consequently, the duty cycle of these materials is often deliberately limited to a few hours, and in order to prevent failure, production is stopped in order to change the seals in critical joints. The result is significant time lost due to bringing down production to change the seals as well as knock on financial costs. In order to address the fundamental nature of the elastomers at their intended operating conditions, we are studying the gas permeation behaviour of hydrogenated natural butyl rubber (HNBR) and fluorinated elastomers (FKM) at a high pressure and elevated temperature. We have developed a pressure system that permits gas permeation studies at gas pressures of up to 5000 psi and operating temperatures up to 150° C. In this paper, we will discuss the nature of the permeation behaviour at these extreme operating conditions, and how this relates to the changes in the polymer structure. We will also discuss the use of graphene-polymer thin layer coatings to modify the gas permeation behaviour of the elastomers.

  13. Structural study of Pr.sub.0.8./sub.Na.sub.0.2./sub.MnO.sub.3./sub. at high pressure

    Kozlenko, D. P.; Glazkov, V. P.; Jirák, Zdeněk; Savenko, B. N.

    2003-01-01

    Roč. 267, - (2003), s. 120-126 ISSN 0304-8853 Institutional research plan: CEZ:AV0Z1010914 Keywords : manganites * high pressures * crystal and magnetic structure * neutron diffraction Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.910, year: 2003

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

    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...

  15. The first find of spinel peridotite in the Southern Kazakhstan: Structure, composition, and parameters of high-pressure metamorphism

    Pilitsyna, A. V.; Tretyakov, A. A.; Alifirova, T. A.; Degtyarev, K. E.; Kovalchuk, E. V.

    2017-09-01

    Spinel peridotite, metamorphosed in high-pressure conditions, was first described within the Western part of the Central Asian Orogenic Belt. The spinel peridotite has the characteristics of Mg-Cr ultramafites indicating the mantle origin of its protolith. The preliminary estimation of the metamorphism peak for the model system MgO-Al2O3—SiO2-Cr2O3 (MASCr) is 10-19 kbar at 680-800°C.

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

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

    2017-01-01

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

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

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

    2000-01-01

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

  18. High-pressure apparatus

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

    1999-01-01

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

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

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

    2014-06-01

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

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

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

    2014-01-01

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

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

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

    2001-01-01

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

  2. Structural behaviour of super-light structures

    Bagger, Anne; Hertz, Kristian Dahl

    2010-01-01

    structural functions: it leads load to the skeleton, it stabilizes the compression members of the skeleton, and it redistributes loads that are not optimal for the skeleton shape. In this paper, FE analysis is used to investigated the behaviour of a series of SLS beams of concrete, under varying stiffness......A new structural concept, called Super-light Structures (SLS), has recently been invented and patented at the Technical University of Denmark. The basic concept of SLS is to construct a skeleton of a stiff and strong material, such as ordinary or high strength concrete, and stabilize this skeleton...... with a lighter and softer material, such as lightweight concrete. The combined use of stiff and light material in SLS results in structures of high stiffness and low weight. The applied technology and the advantages of SLS are elaborated upon in [1] in these proceedings. The present paper focuses...

  3. Nuclear magnetic resonance studies at high pressures

    Jonas, J.

    1980-01-01

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

  4. Analysing and modelling the growth behaviour of Listeria monocytogenes on RTE cooked meat products after a high pressure treatment at 400 MPa

    Hereu, A.; Dalgaard, Paw; Garriga, M.

    2014-01-01

    Various predictive models are available for high pressure inactivation of Listeria monocytogenes in food, but currently available models do not consider the growth kinetics of surviving cells during the subsequent storage of products. Therefore, we characterised the growth of L. monocytogenes in ...

  5. High-Pressure Single-Crystal Structures of 3D Lead-Halide Hybrid Perovskites and Pressure Effects on their Electronic and Optical Properties.

    Jaffe, Adam; Lin, Yu; Beavers, Christine M; Voss, Johannes; Mao, Wendy L; Karunadasa, Hemamala I

    2016-04-27

    We report the first high-pressure single-crystal structures of hybrid perovskites. The crystalline semiconductors (MA)PbX3 (MA = CH3NH3 (+), X = Br(-) or I(-)) afford us the rare opportunity of understanding how compression modulates their structures and thereby their optoelectronic properties. Using atomic coordinates obtained from high-pressure single-crystal X-ray diffraction we track the perovskites' precise structural evolution upon compression. These structural changes correlate well with pressure-dependent single-crystal photoluminescence (PL) spectra and high-pressure bandgaps derived from density functional theory. We further observe dramatic piezochromism where the solids become lighter in color and then transition to opaque black with compression. Indeed, electronic conductivity measurements of (MA)PbI3 obtained within a diamond-anvil cell show that the material's resistivity decreases by 3 orders of magnitude between 0 and 51 GPa. The activation energy for conduction at 51 GPa is only 13.2(3) meV, suggesting that the perovskite is approaching a metallic state. Furthermore, the pressure response of mixed-halide perovskites shows new luminescent states that emerge at elevated pressures. We recently reported that the perovskites (MA)Pb(Br x I1-x )3 (0.2 < x < 1) reversibly form light-induced trap states, which pin their PL to a low energy. This may explain the low voltages obtained from solar cells employing these absorbers. Our high-pressure PL data indicate that compression can mitigate this PL redshift and may afford higher steady-state voltages from these absorbers. These studies show that pressure can significantly alter the transport and thermodynamic properties of these technologically important semiconductors.

  6. Birnessite-type MnO2 nanosheets with layered structures under high pressure: elimination of crystalline stacking faults and oriented laminar assembly.

    Sun, Yugang; Wang, Lin; Liu, Yuzi; Ren, Yang

    2015-01-21

    Squeezing out crystalline stacking faults: Birnessite-type δ-phase MnO2 microflowers containing interconnected ultrathin nanosheets are synthesized through a microwave-assisted hydrothermal process and exhibit a layered crystalline structure with significant stacking faults. Compressing these MnO2 nanosheets in a diamond anvil cell with high pressure up to tens of GPa effectively eliminates the crystalline stacking faults. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Intermolecular Interactions at high pressure

    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...

  8. Terbium oxide at high pressures

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

    2011-01-01

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

  9. Structure and dynamics of water confined in a graphene nanochannel under gigapascal high pressure: dependence of friction on pressure and confinement.

    Yang, Lei; Guo, Yanjie; Diao, Dongfeng

    2017-05-31

    Recently, water flow confined in nanochannels has become an interesting topic due to its unique properties and potential applications in nanofluidic devices. The trapped water is predicted to experience high pressure in the gigapascal regime. Theoretical and experimental studies have reported various novel structures of the confined water under high pressure. However, the role of this high pressure on the dynamic properties of water has not been elucidated to date. In the present study, the structure evolution and interfacial friction behavior of water constrained in a graphene nanochannel were investigated via molecular dynamics simulations. Transitions of the confined water to different ice phases at room temperature were observed in the presence of lateral pressure at the gigapascal level. The friction coefficient at the water/graphene interface was found to be dependent on the lateral pressure and nanochannel height. Further theoretical analyses indicate that the pressure dependence of friction is related to the pressure-induced change in the structure of water and the confinement dependence results from the variation in the water/graphene interaction energy barrier. These findings provide a basic understanding of the dynamics of the nanoconfined water, which is crucial in both fundamental and applied science.

  10. High-pressure effect in spectroscopic and structural properties of Sm{sup 3+} doped GeO{sub 2}-PbO glass

    Rovani, Pablo Roberto; Herrera, Alvaro; Azevedo, Gustavo de Medeiros; Balzaretti, Naira Maria, E-mail: rovani.pr@gmail.com [Universidade Federal do Rio Grande do Sul (UFRGS), Porto Alegre (Brazil)

    2016-07-01

    Full text: The effect of densification under high pressure (7.7 GPa) on spectroscopic and structural properties of Ge{sub 2}O-PbO glass doped with Sm{sup 3+} ion were investigated. Raman spectroscopy and Extended X-ray Absorption Fine Structure (EXAFS) were used to investigate the effect of high pressure on the structural properties. The spectroscopic properties were investigated through the absorption and luminescence spectra recorded at room temperature The splitting in the VIS-NIR fluorescence bands increased after densification. Judd-Ofelt (J-O) theory was applied to evaluate phenomenological JO intensity parameters Ω (λ = 2, 4 and 6). The effect of high pressure on the transition probabilities (A{sub R}), radiative lifetimes (t{sub R}), branching ratio (b{sub R}) and stimulated emission cross-section s(l{sub p}) was also investigated. The results obtained from EXAFS indicated changes around the vicinity of Sm{sup 3+} ion which would explain the quenching in emission intensities in the visible range. A novel band related to the transition {sup 4}G{sub 5/2} to {sup 6}F{sub 11/2} was observed in the Sm{sup 3+} doped GeO{sub 2}-PbO. The obtained results may be useful for compact light sources, optical devices in the visible region and optoelectronic devices. (author)

  11. High-pressure tritium

    Coffin, D.O.

    1976-01-01

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

  12. 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

    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

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

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

    2004-01-01

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

  14. Supercooling of aqueous dimethylsulfoxide solution at normal and high pressures: Evidence for the coexistence of phase-separated aqueous dimethylsulfoxide solutions of different water structures

    Kanno, H.; Kajiwara, K.; Miyata, K.

    2010-05-01

    Supercooling behavior of aqueous dimethylsulfoxide (DMSO) solution was investigated as a function of DMSO concentration and at high pressures. A linear relationship was observed for TH (homogeneous ice nucleation temperature) and Tm (melting temperature) for the supercooling of aqueous DMSO solution at normal pressure. Analysis of the DTA (differential thermal analysis) traces for homogeneous ice crystallization in the bottom region of the TH curve for a DMSO solution of R =20 (R: moles of water/moles of DMSO) at high pressures supported the contention that the second critical point (SCP) of liquid water should exist at Pc2=˜200 MPa and at Tc2pressure of SCP, Tc2: temperature of SCP). The presence of two TH peaks for DMSO solutions (R =15, 12, and 10) suggests that phase separation occurs in aqueous DMSO solution (R ≤15) at high pressures and low temperatures (pressure dependence of the two TH curves for DMSO solutions of R =10 and 12 indicates that the two phase-separated components in the DMSO solution of R =10 have different liquid water structures [LDL-like and HDL-like structures (LDL: low-density liquid water, HDL: high-density liquid water)] in the pressure range of 120-230 MPa.

  15. Simulation of a high-pressure water jet structure as an innovative tool for pulverizing copper ore in KGHM Polska Miedź S.A.

    Przemysław Józef Borkowski

    2016-01-01

    Full Text Available Effective comminution of copper ore for further processing during flotation is still a challenge, both as a technological problem as well as for the high energy costs of such processing.A high-pressure water jet is one alternative method of preparing copper ore for final flotation, causing distinct enlargement of the surface of micronized particles, which could be profitable for copper production.As a consequence of such innovative processing, particles of copper ore become micronized, ensuring grain fractions directly useful for flotation at the exit of the pulverizing apparatus (the hydro-jetting mill.The paper presents some results of simulation as well as describing an analysis of the phenomena occurring inside the high-pressure water and abrasive-water jets of specific structures, elaborated in the aspect of developing hybrid jets of maximum erosive efficiency, potentially useful for effective pulverization.

  16. Effect of the Thermomechanical Treatment on Structural and Phase Transformations in Cu-14Al-3Ni Shape Memory Alloy Subjected to High-Pressure Torsion

    Lukyanov, A. V.; Pushin, V. G.; Kuranova, N. N.; Svirid, A. E.; Uksusnikov, A. N.; Ustyugov, Yu. M.; Gunderov, D. V.

    2018-04-01

    The possibilities of controlling the structure and properties of a Cu-Al-Ni shape memory alloy due to the use of different schemes of the thermomechanical treatment, including forging, homogenizing in the austenitic state and subsequent quenching, and high-pressure torsion have been found. For the first time, an ultrafine-grain structure has been produced in this alloy via severe plastic deformation using high-pressure torsion. It has been detected that high-pressure torsion using ten revolutions of the anvils leads to the formation of a nanocrystalline structure with a grain size of less than 100 nm. The subsequent short-term heating of the alloy to 800°C (10 s) in the temperature region of the existence of the homogeneous β phase made it possible to form an ultrafine-grain structure with predominant sizes of recrystallized grains of 1 and 8 μm. The quenching after heating prevented the decomposition of the solid solution. The refinement of the grain structure changed the deformation behavior of the alloy, having provided the possibility of the significant plastic deformation upon mechanical tensile tests. The coarse-grained hot-forged quenched alloy was brittle, and fracture occurred along the boundaries of former austenite grains and martensite packets. The highstrength ultrafine-grained alloy also experienced mainly the intercrystalline fracture along the high-angle boundaries of elements of the structure, the grain size of which was less by two orders than that in the initial alloy. This determined an increase in its relative elongation upon mechanical tests.

  17. Evaluation of interlocking bond strength between structured 1.0338 steel sheets and high pressure die cast AlMg5Si2

    Senge, S.; Brachmann, J.; Hirt, G.; Bührig-Polaczek, A.

    2018-05-01

    Multi-material components open up new possibilities for functional design. Such components combine beneficial physical properties of different materials in a single component as for instance chemical resistance, high strength or low density. The challenge is a reliable bond between both materials to enable a long term usage. This paper deals with a form closure connection to ensure a solid connection between steel strips and high pressure die cast aluminium. Two different sizes of channel structures with width ratios of 1.0 and 1.35 are produced on a steel sheet. An ensuing flat rolling pass is performed to create undercuts with a width of up to 50 µm, enabling an interlocking of the molten aluminium in the concluding casting process. For both rolling processes the resulting geometry is analysed depending on the thickness reduction. In a subsequent high pressure die casting process, aluminium is applied resulting in a complete form filling for the coarser structure. Comparing structures with and without undercuts, only structures suited with undercuts remain gap-free after solidification contraction. The finer structure could not be filled completely; nevertheless these structures result in shear strength of up to 45 MPa transversal to the channel-direction.

  18. Behaviour at high pressure of Rb7NaGa8Si12O40·3H2O (a zeolite with EDI topology): a combined experimental-computational study

    Gatta, G. D.; Tabacchi, G.; Fois, E.; Lee, Y.

    2016-03-01

    The high-pressure behaviour and the P-induced structural evolution of a synthetic zeolite Rb7NaGa8Si12O40·3H2O (with edingtonite-type structure) were investigated both by in situ synchrotron powder diffraction (with a diamond anvil cell and the methanol:ethanol:water = 16:3:1 mixture as pressure-transmitting fluid) up to 3.27 GPa and by ab initio first-principles computational modelling. No evidence of phase transition or penetration of P-fluid molecules was observed within the P-range investigated. The isothermal equation of state was determined; V 0 and K T0 refined with a second-order Birch-Murnaghan equation of state are V 0 = 1311.3(2) Å3 and K T0 = 29.8(7) GPa. The main deformation mechanism (at the atomic scale) in response to the applied pressure is represented by the cooperative rotation of the secondary building units (SBU) about their chain axis (i.e. [001]). The direct consequence of SBU anti-rotation on the zeolitic channels parallel to [001] is the increase in pore ellipticity with pressure, in response to the extension of the major axis and to the contraction of the minor axis of the elliptical channel parallel to [001]. The effect of the applied pressure on the bonding configuration of the extra-framework content is only secondary. A comparison between the P-induced main deformation mechanisms observed in Rb7NaGa8Si12O40·3H2O and those previously found in natural fibrous zeolites is made.

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

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

    2014-06-28

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

  20. Fascination at high pressures

    Chidambaram, R.

    1992-01-01

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

  1. High Pressure Biomass Gasification

    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. Computer simulation at high pressure

    Alder, B.J.

    1977-11-01

    The use of either the Monte Carlo or molecular dynamics method to generate equations-of-state data for various materials at high pressure is discussed. Particular emphasis is given to phase diagrams, such as the generation of various types of critical lines for mixtures, melting, structural and electronic transitions in solids, two-phase ionic fluid systems of astrophysical interest, as well as a brief aside of possible eutectic behavior in the interior of the earth. Then the application of the molecular dynamics method to predict transport coefficients and the neutron scattering function is discussed with a view as to what special features high pressure brings out. Lastly, an analysis by these computational methods of the measured intensity and frequency spectrum of depolarized light and also of the deviation of the dielectric measurements from the constancy of the Clausius--Mosotti function is given that leads to predictions of how the electronic structure of an atom distorts with pressure

  3. Magnetic properties of the filled skutterudite-type structure compounds GdRu4P12 and TbRu4P12 synthesized under high pressure

    Sekine, C; Uchiumi, T; Shirotani, I; Matsuhira, kazuyuki; Sakakibara, T; Goto, T; Yagi, T

    2000-01-01

    We have succeeded in synthesizing filled skutterudite-type structure compounds GdRu4P12 and TbRu4P12 under high pressure. The magnetic properties of GdRu4P12 and TbRu4P12 have been studied by means of electrical resistivity, magnetic susceptibility, and magnetization measurements. Magnetic experiments suggest that the Gd and Tb ions in the compounds have trivalent state. The compound GdRu4P12 displays features that suggest the occurrence of antiferromagnetic ordering below TN=22 K. In TbRu4P1...

  4. Mechanical behaviour of structural ceramics

    Bueno, S.

    2007-06-01

    Full Text Available The use of ceramic materials in structural applications is limited by the lack of reliability associated with brittle fracture behaviour. In order to extend the structural use of ceramics, the design of microstructures which exhibit flaw tolerance due to toughening mechanisms which produce an increase in crack growth resistance during crack propagation has been proposed. This work is a review of the mechanical behaviour of structural ceramic materials and its characterisation. Firstly, the basic brittle fracture parameters and the statistical criteria to determine the probability of exceeding the safety factors demanded for a particular application are analysed. Then, the toughening mechanisms which can be developed in the materials through microstructural design as well as the mechanical characterisation of toughened ceramics are discussed. The experimental values of linear elastic fracture toughness parameters (critical stress intensity factor, KIC, and critical energy release rate, GIC are not intrinsic properties for toughened materials and depend on crack length and the loading system. In this work, the different mechanical parameters proposed to characterise such materials are reviewed. The following fracture parameters are analysed: work of fracture (γWOF, critical J-integral value (JIC and R-curve. For the determination, stable fracture tests are proposed in order to ensure that the energy provided during the test is no more than the necessary one for crack propagation.

    El uso de los materiales cerámicos en aplicaciones estructurales está limitado por la falta de fiabilidad asociada a su comportamiento frágil durante la fractura. Para extender su aplicación se ha propuesto el diseño de microestructuras que presenten tolerancia a los defectos debido a la actuación de mecanismos de refuerzo. Este trabajo es una puesta al día sobre el estudio del comportamiento mecánico de los materiales cerámicos estructurales y su

  5. Stabilization and operation of porous silicon photonic structures from near-ultraviolet to near-infrared using high-pressure water vapor annealing

    Gelloz, Bernard; Koshida, Nobuyoshi

    2010-01-01

    The effects of high-pressure water vapor annealing (HWA), electrochemical oxidation, and substrate resistivity on the properties of porous silicon Bragg mirrors and photoluminescent cavities have been investigated. The photonic structures treated by HWA show very good stability upon ageing in air whereas as-formed structures exhibit significant drifts in their optical properties. Using HWA with lightly doped porous silicon, the structure transparency is enhanced sufficiently to enable the possible photonic operation in the near-ultraviolet. However, the index contrast achievable with these structures is very low in the visible and near-infrared. Useful index contrasts in this range can be achieved with either lightly doped porous silicon treated by electrochemical oxidation and HWA or heavily doped porous silicon treated by HWA.

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

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

    2016-01-01

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

  7. SrWO4 at high pressures

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

    2005-01-01

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

  8. Deuterium high pressure target

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

    2001-01-01

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

  9. Structural and elastic anisotropy of crystals at high pressures and temperatures from quantum mechanical methods: The case of Mg{sub 2}SiO{sub 4} forsterite

    Erba, A., E-mail: alessandro.erba@unito.it; Dovesi, R. [Dipartimento di Chimica and Centre of Excellence NIS (Nanostructured Interfaces and Surfaces), Università di Torino, via Giuria 5, IT-10125 Torino (Italy); Maul, J. [Dipartimento di Chimica and Centre of Excellence NIS (Nanostructured Interfaces and Surfaces), Università di Torino, via Giuria 5, IT-10125 Torino (Italy); Laboratório de Combustíveis e Materiais, INCTMN-UFPB, Universidade Federal da Paraíba, CEP 58051-900 João Pessoa, PB (Brazil); De La Pierre, M. [Nanochemistry Research Institute, Curtin Institute for Computation, Department of Chemistry, Curtin University, GPO Box U1987, Perth, WA 6845 (Australia)

    2015-05-28

    We report accurate ab initio theoretical predictions of the elastic, seismic, and structural anisotropy of the orthorhombic Mg{sub 2}SiO{sub 4} forsterite crystal at high pressures (up to 20 GPa) and temperatures (up to its melting point, 2163 K), which constitute earth’s upper mantle conditions. Single-crystal elastic stiffness constants are evaluated up to 20 GPa and their first- and second-order pressure derivatives reported. Christoffel’s equation is solved at several pressures: directional seismic wave velocities and related properties (azimuthal and polarization seismic anisotropies) discussed. Thermal structural and average elastic properties, as computed within the quasi-harmonic approximation of the lattice potential, are predicted at high pressures and temperatures: directional thermal expansion coefficients, first- and second-order pressure derivatives of the isothermal bulk modulus, and P-V-T equation-of-state. The effect on computed properties of five different functionals, belonging to three different classes of approximations, of the density functional theory is explicitly investigated.

  10. A new high-pressure phase of Fe2SiO4 and the relationship between spin and structural transitions

    Yamanaka, T.; Kyono, A.; Nakamoto, Y.; Kharlamova, S. A.; Struzhkin, V. V.; Gramsch, S.; Mao, H.; Hemley, R. J.

    2013-12-01

    Structure transformation of Fe2SiO4 Angle-dispersive powder x-ray diffraction was carried out at beam line 16-BMD APS. Structure of a new high-pressure phase of I-Fe2SiO4 spinel was determined by Rietveld profile fitting of x-ray diffraction data up to 64GPa at ambient temperature. A structural transition from the cubic spinel to the new structure was observed at 34GPa. Diffraction patterns taken at 44.6GPa and 54.6GPa indicate a two-phase mixture of spinel and new high-pressure phase. Reversible transition from I-Fe2SiO4 to spinel was confirmed. Laser heating experiment at 1500K proved the decomposition of Fe2SiO4 spinel to two oxides of FeO and SiO2. Spin transition X-ray emission measurements of Fe2SiO4 were carried out up to 65GPa at ambient temperature at beam line 16-IDD APS. The spin transition exerts an influence to Fe2SiO4 spinel structure and triggers two distinct curves of the lattice constant in the spinel phase. Although the compression curve of the spinel is discontinuous at approximately 20 GPa, Fe Kβ emission measurements show that the transition from a high spin (HS) to an intermediate spin (IS) state begins at 17GPa in the spinel phase. The IS electronic state is gradually enhanced with pressure, which results in an isostructural phase transition. HS-to-LS transition of iron bearing spinels starts from 15.6GPa in Fe3O4 and 19.6GPa in Fe2TiO4. The transition is more capable due to Fe2+ in the octahedral site. The extremely shortened octahedral bonds result in a distortion of 6-fold cation site. New structure of Fe2SiO4 Monte Carlo method was applied to find candidates for the high-pressure phase using the diffraction intensities with fixed lattice constants determined by DICVOL. Rietveld profile fitting was then performed using the initial model. The new structure is a body centered orthorhombic phase (I-Fe2SiO4) with space group Imma and Z=4, with two crystallographically distinct FeO6 octahedra. Silicon exists in six-fold coordination in I-Fe2Si

  11. Changes in structure and preferential cage occupancy of ethane hydrate and ethane-methane mixed gas hydrate under high pressure

    Hirai, H; Takahara, N; Kawamura, T; Yamamoto, Y; Yagi, T

    2010-01-01

    Structural changes and preferential cage occupancies were examined for ethane hydrate and ethane-methane mixed gas hydrates with five compositions in a pressure range of 0.2 to 2.8 GPa at room temperature. X-ray diffractometry and Raman spectroscopy showed the following structural changes. The initial structure, structure I (sI), of ethane hydrate was retained up to 2.1 GPa without any structural change. For the mixed hydrates, sI was widely distributed throughout the region examined except for the methane-rich and lower pressure regions, where sII and sH appeared. Above 2.1 GPa ethane hydrate and all of the mixed hydrates decomposed into ice VI and ethane fluid or methane-ethane fluid, respectively. The Raman study revealed that occupation of the small cages by ethane molecules occurred above 0.1 GPa in ethane hydrate and continued up to decomposition at 2.1 GPa, although it was thought that ethane molecules were contained only in the large cage.

  12. Heat and fluid flow in accident of Fukushima Daiichi Nuclear Power Plant, Unit 3. Behaviour of high pressure coolant injection system (HPCI) based on thermodynamic model

    Maruyama, Shigenao

    2014-01-01

    In order to clarify the process of Accident of Fukushima Nuclear Plants, an accident scenario of Fukushima Daiichi Nuclear Power Plant, Unit 3 is analyzed from the data open to the public. Phase equilibrium process model was introduced in which the vapor and water are at saturation point in the vessels. The present accident scenario assumes that the high pressure coolant injection system (HPCI) did not worked properly, but the steam in the reactor pressure vessel (RPV) leaked through the turbine of HPCI to the suppression chamber since 12/3/2011 12:35. It is assumed that the Tsunami flooded the torus room where the suppression chamber was placed. Proposed accident scenario agrees with the data of the plant parameters obtained just after the accident. It is estimated that the water injection by HPIC was stopped since around at 13/3 19:00 and the water level in RPV decreased since then. It is estimated that the RPV broke at 14/3 8:55 and water could injected from fire engines due to the depression due to the rupture of RPV. There was little water left in RPV at the time of the rupture. If the present scenario is correct, the behavior that operators in the plant stopped HPCI at 13/3 2:42 did not affect seriously on the RPV rupture. If HPCI was working properly until the operators stopped it, the plant parameters obtained in the accident cannot be explained. (author)

  13. Structural transformations in Ge{sub 2}Sb{sub 2}Te{sub 5} under high pressure and temperature

    Mio, A. M.; Privitera, S., E-mail: stefania.privitera@imm.cnr.it; D' Arrigo, G.; Rimini, E. [IMM-CNR, Istituto per la Microelettronica e Microsistemi, Consiglio Nazionale delle Ricerche, Strada VIII 5, Zona Industriale, I-95121 Catania (Italy); Ceppatelli, M. [ICCOM-CNR, Istituto di Chimica dei Composti OrganoMetallici, Via Madonna del Piano 10, I-50019 Sesto Fiorentino (Italy); LENS, European Laboratory for Non-Linear Spectroscopy, Via Nello Carrara 1, I-50019 Sesto Fiorentino (Italy); Gorelli, F.; Santoro, M. [LENS, European Laboratory for Non-Linear Spectroscopy, Via Nello Carrara 1, I-50019 Sesto Fiorentino (Italy); INO-CNR, Istituto Nazionale di Ottica, Via Nello Carrara 1, I-50019 Sesto Fiorentino (Italy); Miritello, M. [MATIS-IMM-CNR, via S. Sofia 64, I-95123 Catania (Italy); Bini, R. [LENS, European Laboratory for Non-Linear Spectroscopy, Via Nello Carrara 1, I-50019 Sesto Fiorentino (Italy); Università degli Studi di Firenze, Via della Lastruccia 3, I-50019 Sesto Fiorentino (Italy)

    2015-08-14

    The structural transformations occurring in Ge{sub 2}Sb{sub 2}Te{sub 5} films heated at temperature up to 400 °C, and under hydrostatic pressure up to 12 GPa, have been investigated through in-situ X ray diffraction measurements. The adopted experimental conditions are close to those experienced by the phase change material during the SET (crystallization)/RESET (amorphization) processes in a nonvolatile memory device. The compression enhances the thermal stability of the amorphous phase, which remains stable up to 180 °C at 8 GPa and to 230 °C at 12 GPa. The structure of the crystalline phases is also modified, with the formation of a CsCl-type structure instead of rock-salt and of a GeS-type structure at the temperature at which usually the trigonal stable phase is formed. Overall, the stability of the stable phase appears to be more affected by the compression. We argue that the presence of weak bonds associated to the van der Waals gaps is a determining factor for the observed reduced stability.

  14. IrSr2TbCu2O8, a high-pressure metamagnetic cuprate: Structure, microstructure and properties

    Dos Santos-Garcia, A.J.; Duijn, J. van; Saez-Puche, R.; Heymann, G.; Huppertz, H.; Alario-Franco, M.A.

    2008-01-01

    The synthesis, structure and microstructure of the IrSr 2 TbCu 2 O 8 cuprate showing metamagnetic properties are described. The sample was prepared at high temperatures and pressures up to 9.2 GPa. The structure is tetragonal, showing a 1212 type structure, that derives from the classical YBaCuO superconductor structure, replacing the tetracoordinated square planar copper [Cu-O 4 ] in the 'chains' by octahedral [Ir-O 6 ] groups that form a perovskite-like layer in the basal plane of the unit cell. A 'simple' cell, ∼a p xa p x3a p , where a p is the basic perovskite unit cell parameter (a p ∼3.8 A), is supported by X-ray powder diffraction (XRD) and a so-called 'diagonal' one, ∼√2a p x√2a p x3a p , by SAED; a microdomain texture of latter cell and a series of very interesting extended defects have been observed by HREM. Magnetic susceptibility measurements show a magnetic transition, T N ∼6 K, with negative Weiss temperature, that indicates antiferromagnetic interactions among the Tb moments. The magnetic structure has been determined by neutron diffraction. A detailed magnetic study has revealed a metamagnetic behavior, something not previously observed in this type of cuprates. Specific heat and resistivity measurements have also been performed to characterize the transition. - Graphical abstract: Reconstructed image from the SAED of the long c tetragonal axis (3a p ) of a IrSr 2 TbCu 2 O 8 crystal. A unit cell picture is included for comparison. Display Omitted

  15. Thermal expansivity and bulk modulus of ZnO with NaCl-type cubic structure at high pressures and temperatures

    Sun Xiaowei; Liu Zijiang; Chen Qifeng; Chu Yandong; Wang Chengwei

    2006-01-01

    The thermal expansivity and bulk modulus of ZnO with NaCl-type cubic structure were estimated by using the constant temperature and pressure molecular dynamics technique with effective pair potentials which consist of the Coulomb, dispersion, and repulsion interaction at high pressures and temperatures. It is shown that the calculated thermodynamic parameters including linear thermal expansion coefficient, isothermal bulk modulus and its pressure derivative are in good agreement with the available experimental data and the latest theoretical results. At an extended pressure and temperature ranges, linear thermal expansion coefficient and isothermal bulk modus have also been predicted. The thermodynamic properties of ZnO with NaCl-type cubic structure are summarized in the pressure 0-150 GPa ranges and the temperature up to 3000 K

  16. Experimental evidence of high pressure decoupling between charge transport and structural dynamics in a protic ionic glass-former.

    Wojnarowska, Z; Rams-Baron, M; Knapik-Kowalczuk, J; Połatyńska, A; Pochylski, M; Gapinski, J; Patkowski, A; Wlodarczyk, P; Paluch, M

    2017-08-01

    In this paper the relaxation dynamics of ionic glass-former acebutolol hydrochloride (ACB-HCl) is studied as a function of temperature and pressure by using dynamic light scattering and broadband dielectric spectroscopy. These unique experimental data provide the first direct evidence that the decoupling between the charge transport and structural relaxation exists in proton conductors over a wide T-P thermodynamic space, with the time scale of structural relaxation being constant at the liquid-glass transition (τ α  = 1000 s). We demonstrate that the enhanced proton transport, being a combination of intermolecular H + hopping between cation and anion as well as tautomerization process within amide moiety of ACB molecule, results in a breakdown of the Stokes-Einstein relation at ambient and elevated pressure with the fractional exponent k being pressure dependent. The dT g /dP coefficient, stretching exponent β KWW and dynamic modulus E a /ΔV # were found to be the same regardless of the relaxation processes studied. This is in contrast to the apparent activation volume parameter that is different when charge transport and structural dynamics are considered. These experimental results together with theoretical considerations create new ideas to design efficient proton conductors for potential electrochemical applications.

  17. High-pressure polymorphism as a step towards high density structures of LiAlH{sub 4}

    Huang, Xiaoli; Duan, Defang; Li, Xin; Li, Fangfei; Huang, Yanping; Wu, Gang; Liu, Yunxian; Zhou, Qiang; Liu, Bingbing; Cui, Tian, E-mail: cuitian@jlu.edu.cn [State Key Laboratory of Superhard Materials, College of Physics, Jilin University, Changchun 130012 (China)

    2015-07-27

    Two high density structures β- and γ-LiAlH{sub 4} are detected in LiAlH{sub 4}, a promising hydrogen storage compound, upon compression in diamond anvil cells, investigated with synchrotron X-ray diffraction and first-principle calculations. The joint of the experimental and theoretical results has confirmed the sequence of the pressure-induced structural phase transitions from α-LiAlH{sub 4} (space group P2{sub 1}/c) to β-LiAlH{sub 4} (P2{sub 1}/c-6C symmetry), and then to γ-LiAlH{sub 4} (space group Pnc2), which are not reported in previous literatures. At the α to β transition point for LiAlH{sub 4}, the estimated difference in cell volume is about 20%, while the transformation from β to γ phase is with a volume drop smaller than 1%. The α to β phase transition is accompanied by the local structure change from a AlH{sub 4} tetrahedron into a AlH{sub 6} octahedron, which contributes to a large volume collapse.

  18. Neutron diffraction study of structural changes in ammonium halides ND4Br and ND4Cl under high pressure

    Balagurov, A.M.; Kozlenko, D.P.; Savenko, B.N.; Glazkov, V.P.; Somenkov, V.A.

    1997-01-01

    Structural changes in ammonium halides ND 4 Br and ND 4 Cl at pressures up to 45 kbar and up to 35 kbar, respectively, have been studied with the DN-12 diffractometer at the IBR-2 pulsed reactor. For both systems, the equation of state and the position parameter of deuterium atoms as functions of pressure were obtained. The obtained equations of state are nearly the same as the ones for the nondeuterated systems NH 4 Br and NH 4 Cl obtained by the piston displacement technique. It was found that the order - disorder phase transition from the phase in which the ammonium tetrahedra are randomly oriented (CsCl-type cubic structure, space group Pm3m) into the phase in which the ammonium tetrahedra are oriented in parallel (CsCl-type cubic structure, space group P4 bar 3m), occurs at equal critical value of the position parameter u=0.153 ± 0.002 in both systems. It appears to be valid for all of the ammonium halides, and, possibly, for other similar compounds. (author)

  19. Structure and microstructure of the high pressure synthesised misfit layer compound [Sr2O2][CrO2]1.85

    Castillo-Martinez, E.; Schoenleber, A.; Smaalen, S. van; Arevalo-Lopez, A.M.; Alario-Franco, M.A.

    2008-01-01

    The strontium chromium oxide [Sr 2 O 2 ][CrO 2 ] 1.85 misfit layer compound has been synthesised at high-pressure and high-temperature conditions. Electron diffraction patterns and high-resolution transmission electron microscopy images along [001] show the misfit character of the different layers composing the structure with a supercell along the incommensurate parameter b∼7b 1 ∼13b 2 . The modulated crystal structure has been refined within the superspace formalism against single-crystal X-ray diffraction data, employing the (3+1)-dimensional superspace group C'nmb(0σ 2 0)0 0 s. The compound has a composite structure with lattice parameters a 1 =5.182(1) A, b 1 =5.411(1) A, c 1 =18.194(3) A for the first, SrO, subsystem and the same a and c, but with b 2 =2.925(1) A for the second, CrO 2 , subsystem. The layer stacking is similar to that of orthorhombic PbS(TiS 2 ) 1.18 , but with a much stronger intersubsytem bonding in the case of the oxide. The intersubsystem lattice mismatch is mainly handled by displacement modulations of the Sr atoms, correlated with modulations of the valence, the coordination and the anisotropic displacement parameters. - Graphical abstract: A strontium chromium oxide, [Sr 2 O 2 ][CrO 2 ] 1.85 , with an orthorhombic misfit layer structure has been synthesised under high pressure. Mainly modulations on the Sr position, ADPs and coordination save the subsystems lattice mismatch

  20. Amorphous and liquid samples structure and density measurements at high pressure - high temperature using diffraction and imaging techniques

    Guignot, N.; King, A.; Clark, A. N.; Perrillat, J. P.; Boulard, E.; Morard, G.; Deslandes, J. P.; Itié, J. P.; Ritter, X.; Sanchez-Valle, C.

    2016-12-01

    Determination of the density and structure of liquids such as iron alloys, silicates and carbonates is a key to understand deep Earth structure and dynamics. X-ray diffraction provided by large synchrotron facilities gives excellent results as long as the signal scattered from the sample can be isolated from its environment. Different techniques already exist; we present here the implementation and the first results given by the combined angle- and energy-dispersive structural analysis and refinement (CAESAR) technique introduced by Wang et al. in 2004, that has never been used in this context. It has several advantages in the study of liquids: 1/ the standard energy-dispersive technique (EDX), fast and compatible with large multi-anvil presses frames, is used for fast analysis free of signal pollution from the sample environment 2/ some limitations of the EDX technique (homogeneity of the sample, low resolution) are irrelevant in the case of liquid signals, others (wrong intensities, escape peaks artifacts, background subtraction) are solved by the CAESAR technique 3/ high Q data (up to 15 A-1 and more) can be obtained in a few hours (usually less than 2). We present here the facilities available on the PSICHE beamline (SOLEIL synchrotron, France) and a few results obtained using a Paris-Edinburgh (PE) press and a 1200 tons load capacity multi-anvil press with a (100) DIA compression module. X-ray microtomography, used in conjunction with a PE press featuring rotating anvils (RotoPEc, Philippe et al., 2013) is also very effective, by simply measuring the 3D volume of glass or liquid spheres at HPHT, thus providing density. This can be done in conjunction with the CAESAR technique and we illustrate this point. Finally, absorption profiles can be obtained via imaging techniques, providing another independent way to measure the density of these materials. References Y. Wang et al., A new technique for angle-dispersive powder diffraction using an energy

  1. High-pressure structural phase transitions in TiO sub 2 and synthesis of the hardest known oxide

    Ahuja, R

    2002-01-01

    Despite great technological importance and many investigations, a material with a measured hardness comparable to that of diamond or cubic boron nitride has yet to be identified. Our combined theoretical and experimental investigations led to the discovery of a new polymorph of titanium dioxide, where titanium is ninefold coordinated to oxygen in the cotunnite (PbCl sub 2) structure. Hardness measurements on this phase, synthesized at pressures above 60 GPa and temperatures above 1000 K, reveal that this material is the hardest oxide yet discovered. Furthermore, it is one of the least compressible (with a measured bulk modulus of 431 GPa) and hardest (with a microhardness of 38 GPa) polycrystalline materials studied so far.

  2. Effects of annealing temperature on the structural, mechanical and electrical properties of flexible bismuth telluride thin films prepared by high-pressure RF magnetron sputtering

    Singkaselit, Kamolmad; Sakulkalavek, Aparporn; Sakdanuphab, Rachsak

    2017-09-01

    In this work Bi x Te y thin films were deposited on polyimide substrate by a high-pressure RF magnetron sputtering technique. The deposited condition was maintained using a high pressure of 1.3  ×  10-2 mbar. The as-deposited films show Bi2Te3 structure with Te excess phase (Te-rich Bi2Te3). After that, as-deposited films were annealed in the vacuum chamber under the N2 flow at temperatures from 250 to 400 °C for one hour. The microstructure, cross-section, [Bi]:[Te] content, and the mechanical, electrical and thermoelectric properties of as-deposited and different annealed films were investigated. It was found that the annealing temperature enhanced the crystallinity and film density for the temperature range 250-300 °C. However, the crystal structure of Bi2Te3 almost changed to the BiTe structure after annealing the films above 350 °C, due to the re-evaporation of Te. Nano-indentation results and cross-section images indicated that the hardness of the films related to the film density. The maximum hardness of 2.30 GPa was observed by annealing the films at 300 °C. As a result of an improvement in crystallinity and phase changes, the highest power factor of 11.45  ×  10-4 W m-1K-2 at 300 °C with the carrier concentration and mobility of 6.15  ×  1020 cm-3 and 34.03 cm2 V-1 s-1, respectively, was achieved for the films annealed at 400 °C. Contribution at the 4th Southeast Asia Conference on Thermoelectrics 2016 (SACT 2016), 15-18 December 2016, Da Nang City, Vietnam.

  3. First-principles study of the structural, phonon, elastic, and thermodynamic properties of Al_3Ta compound under high pressure

    W. Leini

    2018-03-01

    Full Text Available We have investigated the phonon, elastic and thermodynamic properties of L1_2 phase Al_3Ta by density functional theory approach combining with quasi-harmonic approximation model. The results of phonon band structure shows that L1_2 phase Al_3Ta possesses dynamical stability in the pressure range from 0 to 80 GPa due to the absence of imaginary frequencies. The pressure dependences of the elastic constants C_ij, bulk modulus B, shear modulus G, Young's modulus Y, B/G and Poisson's ratio ν have been analysed. The elastic constants are satisfied with mechanical stability criteria up to the external pressure of 80 GPa. The results of the elastic properties studies show that Al_3Ta compound possesses a higher hardness, improved ductility and plasticity under higher pressures. Further, we systematically investigate the thermodynamic properties, such as the Debye temperature Θ, heat capacity C_p, and thermal expansion coefficient α, and provide the relationships between thermal parameters and pressure.

  4. The influence of channel anion identity on the high-pressure crystal structure, compressibility, and stability of apatite

    Skelton, Richard; Walker, Andrew M.

    2018-03-01

    The material properties of the common phosphate mineral apatite are influenced by the identity of the channel anion, which is usually F-, Cl-, or (OH)-. Density functional theory calculations have been used to determine the effect of channel anion identity on the compressibility and structure of apatite. Hydroxyapatite and fluorapatite are found to have similar zero pressure bulk moduli, of 79.2 and 82.1 GPa, respectively, while chlorapatite is considerably more compressible, with K 0 = 55.0 GPa. While the space groups of hydroxyapatite and fluorapatite do not change between 0 and 25 GPa, symmetrization of the Cl- site in chlorapatite at 7.5 GPa causes the space group to change from P2 1 /b to P6 3 /m. Examination of the valence electron density distribution in chlorapatite reveals that this symmetry change is associated with a change in the coordination of the Cl- anion from threefold to sixfold coordinated by Ca. We also calculate the pressure at which apatite decomposes to form tuite, a calcium orthophosphate mineral, and find that the transition pressure is sensitive to the identity of the channel anion, being lowest for fluorapatite (13.8 GPa) and highest for chlorapatite (26.9 GPa). Calculations are also performed within the DFT-D2 framework to investigate the influence of dispersion forces on the compressibility of apatite minerals.

  5. Structure and combustion characteristics of turbulent, pre-mixed high-pressure flames; Projekt 'Struktur und Brenneigenschaften von turbulenten, vorgemischten Hochdruckflammen'

    Griebel, P.; Boschek, E.; Erne, D.; Siewert, P.

    2005-12-15

    This illustrated annual report for 2005 for the Swiss Federal Office of Energy (SFOE) reports on the work done in 2005 at the Paul Scherrer Institute (PSI) on the structure and combustion characteristics of turbulent, pre-mixed high-pressure flames. The aims of the project are described in detail, which include, among other things, the completion of previous work, the validation of simulations and the influence of turbulence on the flame front. Work done on the project in 2005 is described and commented on. Experimental installations are described and the results obtained are presented. Also, the influence of adding hydrogen to the methane fuel is commented on. National and international co-operation is reviewed and future work to be carried out is noted.

  6. High-pressure synthesis and crystal structure of α-Y{sub 2}B{sub 4}O{sub 9}

    Schmitt, Martin K.; Huppertz, Hubert [Innsbruck Univ. (Austria). Inst. fuer Allgemeine, Anorganische und Theoretische Chemie

    2017-07-01

    α-Y{sub 2}B{sub 4}O{sub 9} was synthesized in a high-pressure/high-temperature experiment at 12.3 GPa/1020 C. The crystal structure has been determined via single-crystal X-ray diffraction. α-Y{sub 2}B{sub 4}O{sub 9} is isotypic to the lanthanide borates α-Ln{sub 2}B{sub 4}O{sub 9} (Ln = Sm-Ho) and crystallizes in the monoclinic space group C2/c (no. 15) with the following lattice parameters: a = 25.084(2), b = 4.3913(2), c = 24.726(2) Aa, and β = 99.97(1) . The compound was further characterized via X-ray powder diffraction as well as IR and Raman spectroscopy.

  7. Structure, Mobility, and Composition of Transition Metal Catalyst Surfaces. High-Pressure Scanning Tunneling Microscopy and Ambient-Pressure X-ray Photoelectron Spectroscopy Studies

    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.

  8. First-principles study on the electronic structure, phonons and optical properties of LaB_6 under high-pressure

    Chao, Luomeng; Bao, Lihong; Wei, Wei; O, Tegus; Zhang, Zhidong

    2016-01-01

    The electronic structure, phonons and optical properties of LaB_6 compound under different pressure have been studied by first-principles calculation. The electronic structure calculation shows that the d band along the M-Γ direction of the Brillouin zone moves up with increasing pressure and the band minimum is above the Fermi level at 45 GPa. The pressure-induced charge transfer from La to B atoms is reflected in the upshift of d band along the M-Γ direction with pressure. The calculated phonon dispersion curve at zero pressure is in good agreement with the experimental results. However, the phonon dispersion under high pressure does not show any information about the phase transition at 10 GPa, which was reported previously. The acoustic and optical phonon modes harden all the way with increasing pressure. In addition, the dielectric function is in accordance with the Drude model in the pressure range of 0 GPa–35 GPa and follows the Lorentz model at 45 GPa. The LaB_6 compound exhibits better visible light transmittance performance with the increasing pressure in the range of 0 GPa–35 GPa and visible light transmittance peak would be shifted towards ultraviolet region. - Highlights: • Physical properties of LaB_6 under high pressure have been theoretically studied. • Predict an electronic topological transition occurs at 45 GPa for LaB_6. • Predict a pressure-induced charge transfer from La to B atoms. • The phonon modes at Γ point show an increasing trend with increasing pressure. • The LaB_6 exhibits better heat-shielding performance with the increasing pressure.

  9. High pressure mechanical seal

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

    1996-01-01

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

  10. High-pressure modifications of CaZn2, SrZn2, SrAl2, and BaAl2: Implications for Laves phase structural trends

    Kal, Subhadeep; Stoyanov, Emil; Belieres, Jean-Philippe; Groy, Thomas L.; Norrestam, Rolf; Haeussermann, Ulrich

    2008-01-01

    High-pressure forms of intermetallic compounds with the composition CaZn 2 , SrZn 2 , SrAl 2 , and BaAl 2 were synthesized from CeCu 2 -type precursors (CaZn 2 , SrZn 2 , SrAl 2 ) and Ba 21 Al 40 by multi-anvil techniques and investigated by X-ray powder diffraction (SrAl 2 and BaAl 2 ), X-ray single-crystal diffraction (CaZn 2 ), and electron microscopy (SrZn 2 ). Their structures correspond to that of Laves phases. Whereas the dialuminides crystallize in the cubic MgCu 2 (C15) structure, the dizincides adopt the hexagonal MgZn 2 (C14) structure. This trend is in agreement with the structural relationship displayed by sp bonded Laves phase systems at ambient conditions. - Graphical abstract: CeCu 2 -type polar intermetallics can be transformed to Laves phases upon simultaneous application of pressure and temperature. The observed structures are controlled by the valence electron concentration

  11. High-pressure synthesis and crystal structures of the strontium oxogallates Sr2Ga2O5 and Sr5Ga6O14

    Kahlenberg, Volker; Goettgens, Valerie; Mair, Philipp; Schmidmair, Daniela

    2015-01-01

    High-pressure synthesis experiments in a piston–cylinder apparatus at 1.5 GPa/3.0 GPa and 1000 °C resulted in the formation of single-crystals of Sr 2 Ga 2 O 5 and Sr 5 Ga 6 O 14 , respectively. The structures of both compounds have been solved from single-crystal diffraction data sets using direct methods. The first compound is orthorhombic with space group type Pbca (a=10.0021(4) Å, b=9.601(4) Å, c=10.6700(4) Å, V=1024.6(4) Å 3 , M r =394.68 u, Z=8, D x =5.12 g/cm 3 ) and belongs to the group of single layer gallates. Individual sheets are parallel to (0 0 1) and can be built from the condensation of unbranched vierer single chains running along [0 1 0]. The layers are characterized by the presence of four- and strongly elliptical eight-membered rings of corner connected tetrahedra in UUDD and UUUUDDDD conformation. Strontium atoms are sandwiched between the tetrahedral layers for charge compensation and are coordinated by six and seven oxygen ligands, respectively. Sr 2 Ga 2 O 5 is isotypic with several other double sulfides and selenides. To the best of our knowledge, it is the first example of an oxide with this structure type. From a structural point of view, Sr 5 Ga 6 O 14 is a phyllogallate as well. The crystal structure adopts the monoclinic space group P2 1 /c (a=8.1426(3) Å, b=8.1803(3) Å, c=10.8755(4) Å, β=91.970(4)° V=723.98(5) Å 3 , M r =1080.42 u, Z=2, D x =4.96 g/cm 3 ). Individual sheets extend along (0 0 1). Basic building units are unbranched dreier single chains parallel to [1 0 0]. The layers contain tertiary (Q 3 ) und quaternary (Q 4 ) connected [GaO 4 ]-tetrahedra in the ratio 2:1 resulting in a Ga:O ratio of 3:7 and the formation of exclusively five-membered rings. Linkage between adjacent tetrahedral sheets is provided by three symmetrically independent strontium ions which are surrounded by six to eight oxygen atoms. The layers in Sr 5 Ga 6 O 14 are similar to those observed in the melilite structure-type. Crystallochemical

  12. Analysis of Porous Structure Parameters of Biomass Chars Versus Bituminous Coal and Lignite Carbonized at High Pressure and Temperature—A Chemometric Study

    Adam Smoliński

    2017-09-01

    Full Text Available The characteristics of the porous structure of carbonized materials affect their physical properties, such as density or strength, their sorption capacity, and their reactivity in thermochemical processing, determining both their applicability as fuels or sorbents and their efficiency in various processes. The porous structure of chars is shaped by the combined effects of physical and chemical properties of a carbonaceous material and the operating parameters applied in the carbonization process. In the study presented, the experimental dataset covering parameters of various fuels, ranging from biomass through lignite to bituminous coal, and chars produced at 1273 K and under the pressure of 1, 2, 3, and 4 MPa was analyzed with the application of the advanced method of data exploration. The principal component analysis showed that the sample of the highest coal rank was characterized by lower values of parameters reflecting the development of the porous structure of chars. A negative correlation was also observed between the carbon content in a fuel and the evolution of the porous structure of chars at high pressure. The highest total pore volume of chars produced under 1 and 3 MPa and the highest micropore surface area under 3 MPa were reported for a carbonized fuel sample of the highest moisture content.

  13. Anisotropic magnetic structures of the Mn R MnSbO6 high-pressure doubly ordered perovskites (R =La , Pr, and Nd)

    Solana-Madruga, Elena; Arévalo-López, Ángel M.; Dos santos-García, Antonio J.; Ritter, Clemens; Cascales, Concepción; Sáez-Puche, Regino; Attfield, J. Paul

    2018-04-01

    A new type of doubly ordered perovskite (also reported as double double perovskite, DDPv) structure combining columnar and rock-salt orders of the cations at the A and B sites, respectively, was recently found at high pressure for Mn R MnSb O6 (R =La -Sm ). Here we report further magnetic structures of these compounds. M n2 + spins align into antiparallel ferromagnetic sublattices along the x axis for MnLaMnSb O6 , while the magnetic anisotropy of P r3 + magnetic moments induces their preferential order along the z direction for MnPrMnSb O6 . The magnetic structure of MnNdMnSb O6 was reported to show a spin-reorientation transition of M n2 + spins from the z axis towards the x axis driven by the ordering of N d3 + magnetic moments. The crystal-field parameters for P r3 + and N d3 + at the 4 e C2 site of their DDPv structure have been semiempirically estimated and used to derive their energy levels and associated wave functions. The results demonstrate that the spin-reorientation transition in MnNdMnSb O6 arises as a consequence of the crystal-field-induced magnetic anisotropy of N d3 + .

  14. Electromagnetic Behaviour of Metallic Wire Structures

    Chui, S T

    2013-01-01

    Despite the recent development and interest in the photonics of metallic wire structures, the relatively simple concepts and physics often remain obscured or poorly explained to those who do not specialize in the field. Electromagnetic Behaviour of Metallic Wire Structures provides a clear and coherent guide to understanding these phenomena without excessive numerical calculations.   Including both background material and detailed derivations of the various different formulae applied, Electromagnetic Behaviour of Metallic Wire Structures describes how to extend basic circuit theory relating to voltages, currents, and resistances of metallic wire networks to include situations where the currents are no longer spatially uniform along the wire. This lays a foundation for a deeper understanding of the many new phenomena observed in meta-electromagnetic materials.   Examples of applications are included to support this new approach making Electromagnetic Behaviour of Metallic Wire Structures a comprehensive and ...

  15. CaCO3-III and CaCO3-VI, high-pressure polymorphs of calcite: Possible host structures for carbon in the Earth's mantle

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

    2012-06-01

    Calcite, CaCO3, undergoes several high pressure phase transitions. We report here the crystal structure determination of the CaCO3-III and CaCO3-VI high-pressure polymorphs obtained by single-crystal synchrotron X-ray diffraction. This new technical development at synchrotron beamlines currently affords the possibility of collecting single-crystal data suitable for structure determination in-situ at non-ambient conditions, even after multiphase transitions. CaCO3-III, observed in the pressure range 2.5-15 GPa, is triclinic, and it presents two closely related structural modifications, one, CaCO3-III, with 50 atoms in the unit cell [a=6.281(1) Å, b=7.507(2) Å, c=12.516(3) Å, α=93.76(2)°, β=98.95(2)°, γ=106.49(2)°, V=555.26(20) Å3 at 2.8 GPa], the second, CaCO3-IIIb, with 20 atoms [a=6.144(3) Å, b=6.3715(14) Å, c=6.3759(15) Å, α= 93.84(2)°, β=107.34(3)°, γ=107.16(3)°, V=224.33(13) Å3 at 3.1 GPa]. Different pressure-time experimental paths can stabilise one or the other polymorph. Both structures are characterised by the presence of non-coplanar CO3 groups. The densities of CaCO3-III (2.99 g/cm3 at 2.8 GPa) and CaCO3-IIIb (2.96 g/cm3 at 3.1 GPa) are lower than aragonite, in agreement with the currently accepted view of aragonite as the thermodynamically stable Ca-carbonate phase at these pressures. The presence of different cation sites, with variable volume and coordination number (7-9), suggests however that these structures have the potential to accommodate cations with different sizes without introducing major structural strain. Indeed, this structure can be adopted by natural Ca-rich carbonates, which often exhibit compositions deviating from pure calcite. Mg-calcites are found both in nature (Frezzotti et al., 2011) and in experimental syntheses at conditions corresponding to deep subduction environments (Poli et al., 2009). At these conditions, the low pressure rhombohedral calcite structure is most unlikely to be stable, and, at the same

  16. Morphology and nano-structure analysis of soot particles sampled from high pressure diesel jet flames under diesel-like conditions

    Jiang, Hao; Li, Tie; Wang, Yifeng; He, Pengfei

    2018-04-01

    Soot particles emitted from diesel engines have a significant impact on the atmospheric environment. Detailed understanding of soot formation and oxidation processes is helpful for reducing the pollution of soot particles, which requires information such as the size and nano-structure parameters of the soot primary particles sampled in a high-temperature and high-pressure diesel jet flame. Based on the thermophoretic principle, a novel sampling probe minimally disturbing the diesel jet flame in a constant volume combustion vessel is developed for analysing soot particles. The injected quantity of diesel fuel is less than 10 mg, and the soot particles sampled by carriers with a transmission electron microscope (TEM) grid and lacey TEM grid can be used to analyse the morphologies of soot aggregates and the nano-structure of the soot primary particles, respectively. When the quantity of diesel fuel is more than 10 mg, in order to avoid burning-off of the carriers in higher temperature and pressure conditions, single-crystal silicon chips are employed. Ultrasonic oscillations and alcohol extraction are then implemented to obtain high quality soot samples for observation using a high-resolution transmission electron microscope. An in-house Matlab-based code is developed to extract the nano-structure parameters of the soot particles. A complete sampling and analysis procedure of the soot particles is provided to study the formation and oxidation mechanism of soot.

  17. Synthesis and stability of hydrogen selenide compounds at high pressure

    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.

  18. Quantitative structure factor and density measurements of high-pressure fluids in diamond anvil cells by x-ray diffraction: Argon and water

    Eggert, Jon H.; Weck, Gunnar; Loubeyre, Paul; Mezouar, Mohamed

    2002-01-01

    We report quantitatively accurate high-pressure, structure-factor measurements of fluids in diamond anvil cells (DAC's) using x-ray diffraction. In the analysis of our diffraction data, we found it possible (and necessary) to determine the density directly. Thus, we also present a diffraction-based determination of the equation of state for fluid water. The analysis of these measurements is difficult since the diamond anvils are many times as thick as the sample and excessive care must be taken in the background subtraction. Due to the novel nature of the experiment and the complexity of the analysis, this paper is concerned primarily with a careful exposition of our analytical methods. Our analysis is applicable to both atomic and molecular fluids and glasses, and we present results for the structure factor and density of two relatively low-Z liquids: argon and water. In order to validate our methods we present an extensive comparison of our measurements on water at P≅0 in a DAC to recent state-of-the-art x-ray and neutron diffraction experiments and to first-principles simulations at ambient conditions

  19. Effects of sub-lethal high-pressure homogenization treatment on the outermost cellular structures and the volatile-molecule profiles of two strains of probiotic lactobacilli.

    Tabanelli, Giulia; Vernocchi, Pamela; Patrignani, Francesca; Del Chierico, Federica; Putignani, Lorenza; Vinderola, Gabriel; Reinheimer, Jorge A; Gardini, Fausto; Lanciotti, Rosalba

    2015-01-01

    Applying sub-lethal levels of high-pressure homogenization (HPH) to lactic acid bacteria has been proposed as a method of enhancing some of their functional properties. Because the principal targets of HPH are the cell-surface structures, the aim of this study was to examine the effect of sub-lethal HPH treatment on the outermost cellular structures and the proteomic profiles of two known probiotic bacterial strains. Moreover, the effect of HPH treatment on the metabolism of probiotic cells within a dairy product during its refrigerated storage was investigated using SPME-GC-MS. Transmission electron microscopy was used to examine the microstructural changes in the outermost cellular structures due to HPH treatment. These alterations may be involved in the changes in some of the technological and functional properties of the strains that were observed after pressure treatment. Moreover, the proteomic profiles of the probiotic strains treated with HPH and incubated at 37°C for various periods showed different peptide patterns compared with those of the untreated cells. In addition, there were differences in the peaks that were observed in the low-mass spectral region (2000-3000 Da) of the spectral profiles of the control and treated samples. Due to pressure treatment, the volatile-molecule profiles of buttermilk inoculated with treated or control cells and stored at 4°C for 30 days exhibited overall changes in the aroma profile and in the production of molecules that improved its sensory profile, although the two different species imparted specific fingerprints to the product. The results of this study will contribute to understanding the changes that occur in the outermost cellular structures and the metabolism of LAB in response to HPH treatment. The findings of this investigation may contribute to elucidating the relationships between these changes and the alterations of the technological and functional properties of LAB induced by pressure treatment.

  20. High-pressure vapor-phase hydrodeoxygenation of lignin-derived oxygenates to hydrocarbons by a PtMo bimetallic catalyst: Product selectivity, reaction pathway, and structural characterization

    Yohe, Sara L.; Choudhari, Harshavardhan J.; Mehta, Dhairya D.; Dietrich, Paul J.; Detwiler, Michael D.; Akatay, Cem M.; Stach, Eric A.; Miller, Jeffrey T.; Delgass, W. Nicholas; Agrawal, Rakesh; Ribeiro, Fabio H.

    2016-12-01

    High-pressure, vapor-phase, hydrodeoxygenation (HDO) reactions of dihydroeugenol (2-methoxy-4-propylphenol), as well as other phenolic, lignin-derived compounds, were investigated over a bimetallic platinum and molybdenum catalyst supported on multi-walled carbon nanotubes (5%Pt2.5%Mo/MWCNT). Hydrocarbons were obtained in 100% yield from dihydroeugenol, including 98% yield of the hydrocarbon propylcyclohexane. The final hydrocarbon distribution was shown to be a strong function of hydrogen partial pressure. Kinetic analysis showed three main dihydroeugenol reaction pathways: HDO, hydrogenation, and alkylation. The major pathway occurred via Pt catalyzed hydrogenation of the aromatic ring and methoxy group cleavage to form 4-propylcyclohexanol, then Mo catalyzed removal of the hydroxyl group by dehydration to form propylcyclohexene, followed by hydrogenation of propylcyclohexene on either the Pt or Mo to form the propylcyclohexane. Transalkylation by the methoxy group occurred as a minor side reaction. Catalyst characterization techniques including chemisorption, scanning transmission electron microscopy, X-ray absorption spectroscopy, and X-ray photoelectron spectroscopy were employed to characterize the catalyst structure. Catalyst components identified were Pt particles, bimetallic PtMo particles, a Mo carbide-like phase, and Mo oxide phases.

  1. Phase relationships of the system Fe-Ni-S and structure of the high-pressure phase of (Fe1-xNix)3S2

    Urakawa, Satoru; Kamuro, Ryota; Suzuki, Akio; Kikegawa, Takumi

    2018-04-01

    The phase relationships of the Fe-Ni-S system at 15 GPa were studied by high pressure quench experiments. The stability fields of (Fe,Ni)3S and (Fe,Ni)3S2 and the melting relationships of the Fe-Ni-S system were determined as a function of Ni content. The (Fe,Ni)3S solid solution is stable in the composition of Ni/(Fe + Ni) > 0.7 and melts incongruently into an Fe-Ni alloy + liquid. The (Fe,Ni)3S2 makes a complete solid solution and melts incongruently into (Fe,Ni)S + liquid, whose structure was determined to show Cmcm-orthorhombic symmetry by in situ synchrotron X-ray diffraction experiments. The eutectic contains about 30 at.% of S, and its temperature decreases with increasing Ni content with a rate of ∼5 K/at.% from 1175 K. The density of the Fe-FeS eutectic composition (Fe70S30) liquid is evaluated to be 6.93 ± 0.08 g/cm3 at 15 GPa and 1200 K based on the Clausius-Clapeyron relations and densities of subsolidus phases. The Fe-Ni-S liquids are a primary sulfur-bearing phase in the deep mantle with a reducing condition (250-660 km depth), and they would play a significant role in the carbon cycle as a carbon host as well as in the generation of diamond.

  2. High-pressure stability relations, crystal structures, and physical properties of perovskite and post-perovskite of NaNiF3

    Shirako, Y.; Shi, Y.G.; Aimi, A.; Mori, D.; Kojitani, H.; Yamaura, K.; Inaguma, Y.; Akaogi, M.

    2012-01-01

    NaNiF 3 perovskite was found to transform to post-perovskite at 16–18 GPa and 1273–1473 K. The equilibrium transition boundary is expressed as P (GPa)=−2.0+0.014×T (K). Structure refinements indicated that NaNiF 3 perovskite and post-perovskite have almost regular NiF 6 octahedra consistent with absence of the first-order Jahn–Teller active ions. Both NaNiF 3 perovskite and post-perovskite are insulators. The perovskite underwent a canted antiferromagnetic transition at 156 K, and the post-perovskite antiferromagnetic transition at 22 K. Magnetic exchange interaction of NaNiF 3 post-perovskite is smaller than that of perovskite, reflecting larger distortion of Ni–F–Ni network and lower dimension of octahedral arrangement in post-perovskite than those in perovskite. - Graphical abstract: Perovskite–post-perovskite transition in NaNiF 3 at high pressure Highlights: ► NaNiF 3 perovskite (Pv) transforms to post-perovskite (pPv) at 16 GPa and 1300 K. ► The equilibrium transition boundary is expressed as P (GPa)=−2.0+0.014 T (K). ► Antiferromagnetic transition occurs at 156 K in Pv and 22 K in pPv.

  3. Analysis of the structural stability of the smectite submitted to high pressures and temperatures; Analise da estabilidade estrutural da esmectita sob altas pressoes e altas temperaturas

    Alabarse, Frederico Gil

    2009-10-15

    The thermal stability of bentonite is of particular interest for containment barrier in nuclear waste disposal facilities. However, very little is known about the stability of smectite (principal component of bentonite) under high-pressure and high-temperature conditions (HPHT). The objective of this work was to investigate the stability of the smectite structure under HP-HT conditions. The HP-HT experiments were performed on toroidal chambers (TC) with pressure up 7.7 GPa and temperatures of 1000 deg C. The samples were characterized by X-ray diffraction after the HP-HT processing. Furthermore, one sample from the original material was analyzed using Fourier transformed infra-red (FTIR) in situ measurements on a diamond anvil cell (DAC) in experiments up to 12 GPa. The original sample of bentonite, calcium dioctahedral montmorillonite with small fraction of quartz, was characterized by FTIR, XRD, X-ray fluorescence (XRF), scanning electron microscopy (SEM), surface area, thermogravimetric analysis (TGA) and differential thermal analysis (DTA). In the experiment performed using the DAC up to 12 GPa, the FTIR in situ measurements analysis showed that the smectite structure is stable with a reversible deformation in the Si-O bond and that the smectite did not loose water. Experiments performed in TC at 7.7 GPa of pressure and 250 deg C of temperature, during 3.5 h showed, after analysis by XRD and FTIR, that the smectite structure is stable and did not loose water. Experiments performed in TC at 7.7 GPa of pressure and 1000 deg C of temperature, during 3.5 h showed, after analysis by XRD and SEM, the transformation of bentonite to the mineral assemblage: Coesite, Quartz, Kyanite and Pyrope. (author)

  4. High-pressure crystal structure of elastically isotropic CaTiO3 perovskite under hydrostatic and non-hydrostatic conditions.

    Zhao, Jing; Ross, Nancy L; Wang, Di; Angel, Ross J

    2011-11-16

    The structural evolution of orthorhombic CaTiO3 perovskite has been studied using high-pressure single-crystal x-ray diffraction under hydrostatic conditions up to 8.1 GPa and under a non-hydrostatic stress field formed in a diamond anvil cell (DAC) up to 4.7 GPa. Under hydrostatic conditions, the TiO6 octahedra become more tilted and distorted with increasing pressure, similar to other 2:4 perovskites. Under non-hydrostatic conditions, the experiments do not show any apparent difference in the internal structural variation from hydrostatic conditions and no additional tilts and distortions in the TiO6 octahedra are observed, even though the lattice itself becomes distorted due to the non-hydrostatic stress. The similarity between the hydrostatic and non-hydrostatic cases can be ascribed to the fact that CaTiO3 perovskite is nearly elastically isotropic and, as a consequence, its deviatoric unit-cell volume strain produced by the non-hydrostatic stress is very small; in other words, the additional octahedral tilts relevant to the extra unit-cell volume associated with the deviatoric unit-cell volume strain may be totally neglected. This study further addresses the role that three factors--the elastic properties, the crystal orientation and the pressure medium--have on the structural evolution of an orthorhombic perovskite loaded in a DAC under non-hydrostatic conditions. The influence of these factors can be clearly visualized by plotting the three-dimensional distribution of the deviatoric unit-cell volume strain in relation to the cylindrical axis of the DAC and indicates that, if the elasticity of a perovskite is nearly isotropic as it is for CaTiO3, the other two factors become relatively insignificant.

  5. High-pressure crystal structure of elastically isotropic CaTiO3 perovskite under hydrostatic and non-hydrostatic conditions

    Zhao Jing; Ross, Nancy L; Wang, Di; Angel, Ross J

    2011-01-01

    The structural evolution of orthorhombic CaTiO 3 perovskite has been studied using high-pressure single-crystal x-ray diffraction under hydrostatic conditions up to 8.1 GPa and under a non-hydrostatic stress field formed in a diamond anvil cell (DAC) up to 4.7 GPa. Under hydrostatic conditions, the TiO 6 octahedra become more tilted and distorted with increasing pressure, similar to other 2:4 perovskites. Under non-hydrostatic conditions, the experiments do not show any apparent difference in the internal structural variation from hydrostatic conditions and no additional tilts and distortions in the TiO 6 octahedra are observed, even though the lattice itself becomes distorted due to the non-hydrostatic stress. The similarity between the hydrostatic and non-hydrostatic cases can be ascribed to the fact that CaTiO 3 perovskite is nearly elastically isotropic and, as a consequence, its deviatoric unit-cell volume strain produced by the non-hydrostatic stress is very small; in other words, the additional octahedral tilts relevant to the extra unit-cell volume associated with the deviatoric unit-cell volume strain may be totally neglected. This study further addresses the role that three factors-the elastic properties, the crystal orientation and the pressure medium-have on the structural evolution of an orthorhombic perovskite loaded in a DAC under non-hydrostatic conditions. The influence of these factors can be clearly visualized by plotting the three-dimensional distribution of the deviatoric unit-cell volume strain in relation to the cylindrical axis of the DAC and indicates that, if the elasticity of a perovskite is nearly isotropic as it is for CaTiO 3 , the other two factors become relatively insignificant. (paper)

  6. High-pressure boron hydride phases

    Barbee, T.W. III; McMahan, A.K.; Klepeis, J.E.; van Schilfgaarde, M.

    1997-01-01

    The stability of boron-hydrogen compounds (boranes) under pressure is studied from a theoretical point of view using total-energy methods. We find that the molecular forms of boranes known to be stable at ambient pressure become unstable at high pressure, while structures with extended networks of bonds or metallic bonding are energetically favored at high pressures. If such structures are metastable on return to ambient pressure, they would be energetic as well as dense hydrogen storage media. An AlH 3 -like structure of BH 3 is particularly interesting in that it may be accessible by high-pressure diamond anvil experiments, and should exhibit both second-order structural and metal-insulator transitions at lower pressures. copyright 1997 The American Physical Society

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

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

    1983-12-01

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

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

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

    1984-01-01

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

  9. High pressure X-ray studies

    Sikka, S.K.

    1981-01-01

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

  10. High-pressure phase transitions of strontianite

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

    2015-12-01

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

  11. High-pressure synthesis and crystal structures of the strontium oxogallates Sr2Ga2O5 and Sr5Ga6O14

    Kahlenberg, Volker; Goettgens, Valerie; Mair, Philipp; Schmidmair, Daniela

    2015-08-01

    High-pressure synthesis experiments in a piston-cylinder apparatus at 1.5 GPa/3.0 GPa and 1000 °C resulted in the formation of single-crystals of Sr2Ga2O5 and Sr5Ga6O14, respectively. The structures of both compounds have been solved from single-crystal diffraction data sets using direct methods. The first compound is orthorhombic with space group type Pbca (a=10.0021(4) Å, b=9.601(4) Å, c=10.6700(4) Å, V=1024.6(4) Å3, Mr=394.68 u, Z=8, Dx=5.12 g/cm3) and belongs to the group of single layer gallates. Individual sheets are parallel to (0 0 1) and can be built from the condensation of unbranched vierer single chains running along [0 1 0]. The layers are characterized by the presence of four- and strongly elliptical eight-membered rings of corner connected tetrahedra in UUDD and UUUUDDDD conformation. Strontium atoms are sandwiched between the tetrahedral layers for charge compensation and are coordinated by six and seven oxygen ligands, respectively. Sr2Ga2O5 is isotypic with several other double sulfides and selenides. To the best of our knowledge, it is the first example of an oxide with this structure type. From a structural point of view, Sr5Ga6O14 is a phyllogallate as well. The crystal structure adopts the monoclinic space group P21/c (a=8.1426(3) Å, b=8.1803(3) Å, c=10.8755(4) Å, β=91.970(4)° V=723.98(5) Å3, Mr=1080.42 u, Z=2, Dx=4.96 g/cm3). Individual sheets extend along (0 0 1). Basic building units are unbranched dreier single chains parallel to [1 0 0]. The layers contain tertiary (Q3) und quaternary (Q4) connected [GaO4]-tetrahedra in the ratio 2:1 resulting in a Ga:O ratio of 3:7 and the formation of exclusively five-membered rings. Linkage between adjacent tetrahedral sheets is provided by three symmetrically independent strontium ions which are surrounded by six to eight oxygen atoms. The layers in Sr5Ga6O14 are similar to those observed in the melilite structure-type. Crystallochemical relationships between the present phases and other

  12. High pressure synthesis of bismuth disulfide

    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...

  13. Fundamentals of high pressure adsorption

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

    2009-12-15

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

  14. Advances in high pressure science and technology: proceedings of the fourth national conference on high pressure science and technology

    Yousuf, Mohammad; Subramanian, N.; Govinda Rajan, K.

    1997-09-01

    The proceedings of the fourth National Conference on High Pressure Science and Technology covers a wide area of research and development activities in the field of high pressure science and technology, broadly classified into the following themes: mechanical behaviour of materials; instrumentation and methods in high pressure research; pressure calibration, standards and safety aspects; phase transitions; shock induced reactions; mineral science, geophysics, geochemistry and planetary sciences; optical, electronic and transport properties; synthesis of materials; soft condensed matter physics and liquid crystals; computational methods in high pressure research. Papers relevant to INIS are indexed separately

  15. High-pressure synthesis and structural, physical properties of CaIr1-xPtxO3 and CaIr1-xRhxO3

    Hirai, S.; Bromiley, G. D.; Klemme, S.; Irifune, T.; Ohfuji, H.; Attfield, P.; Nishiyama, N.

    2010-12-01

    Since the discovery of the perovskite to post-perovskite transition in MgSiO3 in a laser-heated DAC, wide attention has been focussed on the post-perovskite phase of MgSiO3. This is because the post-perovskite phase is likely to play a key role in Earth’s lowermost mantle, and because the perovskite to post-perovskite transition can explain many features of the D” seismic discontinuity. While it is meaningful to conduct further studies of MgSiO3, the post-perovskite phase of MgSiO3 cannot be quenched to ambient pressure/temperature conditions. Thus, further studies must be conducted using analogue compounds of MgSiO3 post-perovskite, which are quenchable to ambient pressure/temperature conditions. The post-perovskite phase of MgSiO3 crystallizes in a layered structure with CaIrO3-structure. Therefore, it is useful to investigate compounds with CaIrO3-structure. There are only four quenchable oxides with CaIrO3-structure reported to date: CaIrO3, CaPtO3, CaRhO3 and CaRuO3. CaIrO3 can be synthesized at ambient pressure, whilst the other three oxides can only be obtained at high pressure/temperature conditions using a multi-anvil apparatus. Further studies on these materials have revealed structural phase transitions at high P-T and a metal-insulator transition by hole doping. In the case of CaIrO3, The post-perovskite phase of CaIrO3 synthesized at 2GPa, 1373K transforms into a perovskite phase at 2GPa, 1673K. In other words, the perovskite phase can be synthesized at temperatures higher than those needed for synthesizing the post-perovskite phase. This is also the case for CaRhO3 (6GPa, 1873K) and CaRuO3 (23GPa, 1343K), while CaPtO3 remained post-perovskite at higher temperatures. We have succeeded in synthesizing solid solutions between CaIrO3, CaPtO3 and CaRhO3. We have found the systematic change in structural and physical properties of post-perovskite oxides, with composition and P-T, which broadens the future opportunity for studying post-perovskite systems

  16. New high-pressure polymorph of In{sub 2}S{sub 3} with defect Th{sub 3}P{sub 4}-type structure

    Lai, Xiaojing; Zhu, Feng; Wu, Ye; Huang, Rong [Key Laboratory of Orogenic Belts and Crustal Evolution, MOE, Peking University, Beijing 100871 (China); School of Earth and Space Sciences, Peking University, Beijing 100871 (China); Wu, Xiang, E-mail: xiang.wu@pku.edu.cn [Key Laboratory of Orogenic Belts and Crustal Evolution, MOE, Peking University, Beijing 100871 (China); School of Earth and Space Sciences, Peking University, Beijing 100871 (China); Zhang, Qian [Key Laboratory of Orogenic Belts and Crustal Evolution, MOE, Peking University, Beijing 100871 (China); School of Earth and Space Sciences, Peking University, Beijing 100871 (China); Yang, Ke [Shanghai Synchrotron Radiation Facility, Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201204 (China); Qin, Shan, E-mail: sqin@pku.edu.cn [Key Laboratory of Orogenic Belts and Crustal Evolution, MOE, Peking University, Beijing 100871 (China); School of Earth and Space Sciences, Peking University, Beijing 100871 (China)

    2014-02-15

    The high pressure behavior of β-In{sub 2}S{sub 3} (I4{sub 1}/amd and Z=16) has been studied by in situ synchrotron radiation X-ray diffraction combined with diamond anvil cell up to 71.7 GPa. Three pressure-induced phase transitions are evidenced at ∼6.6 GPa, ∼11.1 GPa at room temperature and 35.6 GPa after the high-temperature annealing using a portable laser heating system. The new polymorph of In{sub 2}S{sub 3} at 35.6 GPa is assigned to the denser cubic defect Th{sub 3}P{sub 4} structure (I4¯3d and Z=5.333), whose unit-cell parameters are a=7.557(1) Å and V=431.6(2) Å{sup 3}. The Th{sub 3}P{sub 4}-type phase can be stable at least up to 71.7 GPa and cannot be preserved at ambient pressure. The pressure–volume relationship is well described by the second-order Birch–Murnaghan Equation of State, which yields B{sub 0}=63(3) GPa and B{sub 0}′=4 (fixed) for the β-In{sub 2}S{sub 3} phase and B{sub 0}=87(3) GPa and B{sub 0}′=4 (fixed) for the defect Th{sub 3}P{sub 4}-type phase respectively. - Graphical abstract: The structure and Rietveld refinement of new polymorph the defect Th{sub 3}P{sub 4}-type In{sub 2}S{sub 3}. This structure was observed at 35.6 GPa after laser heating by X-ray diffraction. Display Omitted - Highlights: Three pressure-induced phase transitions of β-In{sub 2}S{sub 3} were observed. β-In{sub 2}S{sub 3} was stable up to 6.6 GPa. The defect Th{sub 3}P{sub 4}-type In{sub 2}S{sub 3} was identified at 35.6 GPa after laser heating and was stable up to 71.7 GPa. Elastic properties of β-In{sub 2}S{sub 3} and Th{sub 3}P{sub 4}-type In{sub 2}S{sub 3} are well presented by Birch–Murnaghan EoS.

  17. The influence of boron on the crystal structure and properties of mullite. Investigations at ambient, high-pressure, and high-temperature conditions

    Luehrs, Hanna

    2013-11-21

    Mullite is one of the most important synthetic compounds for advanced structural and functional ceramic materials. The crystal structure of mullite with the composition Al{sub 2}[Al{sub 2+2x}Si{sub 2-2x}]O{sub 10-x} can incorporate a large variety of foreign cations, including (amongst others) significant amounts of boron. However, no chemical or crystal structure analyses of boron-mullites (B-mullites) were available prior to this work, thus representing the key aspects of this thesis. Furthermore, the influence of boron on selected properties of mullite under ambient, high-temperature, and high-pressure conditions are addressed. Starting from a 3:2 mullite composition (Al{sub 4.5}Si{sub 1.5}O{sub 9.75}), the initial hypothesis for this study was a 1:1 isomorphous replacement of silicon by boron according to the coupled substitution mechanism: 2 Si{sup 4+} + O{sup 2-} → 2 B{sup 3+} + □. Based on a series of compounds synthesized from sol-gel derived precursors at ambient pressure and 1200 C, the formation conditions and physical properties of B-mullites were investigated. The formation temperature for B-mullites decreases with increasing boron-content, as revealed by thermal analyses. An anisotropic development of lattice parameters is observed: Whereas lattice parameters a and b only exhibit minor changes, a linear relationship between lattice parameter c and the amount of boron in the crystal structure was established, on the basis of prompt gamma activation analyses (PGAA) and Rietveld refinements. According to this relationship about 15% of the silicon in mullite can be replaced by boron yielding single-phase B-mullite. B-mullites with significantly higher (∝ factor 3) boron-contents in the mullite structure were also observed but the respective samples contain alumina impurities. Fundamental new details regarding the response of B-mullite to high-temperature and highpressure are presented in this thesis. On the one hand, long-term thermal stability at

  18. Extraordinary magnetic and structural properties of the off-stoichiometric and the Co-doped Ni.sub.2./sub.MnGa Heusler alloys under high pressure

    Kamarád, Jiří; Albertini, F.; Arnold, Zdeněk; Fabbrici, S.; Kaštil, Jiří

    2014-01-01

    Roč. 77, Sep (2014), s. 60-67 ISSN 1359-6454 R&D Projects: GA ČR GAP204/12/0692 Institutional support: RVO:68378271 Keywords : Heusler alloys * martensitic transformation * magnetic properties * high pressure Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 4.465, year: 2014

  19. Structural and electronic response of U.sub.3./sub.Fe.sub.4./sub.Ge.sub.4./sub. to high pressure

    Henriques, Margarida Isabel Sousa; Gorbunov, Denis; Andreev, Alexander V.; Prchal, J.; Raison, P.; Heathman, S.; Arnold, Zdeněk; Griveau, J.C.; Colineau, E.; Havela, L.; Gonçalves, A.P.

    2015-01-01

    Roč. 117, č. 11 (2015), "113901-1"-"113901-8" ISSN 0021-8979 R&D Projects: GA ČR GAP204/12/0150 Institutional support: RVO:68378271 Keywords : uranium intermetallics * ferromagnetism * antiferromagnetism * high pressure Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.101, year: 2015

  20. Calculated high-pressure structural properties, lattice dynamics and quasi particle band structures of perovskite fluorides KZnF3, CsCaF3 and BaLiF3.

    Vaitheeswaran, G; Kanchana, V; Zhang, Xinxin; Ma, Yanming; Svane, A; Christensen, N E

    2016-08-10

    A detailed study of the high-pressure structural properties, lattice dynamics and band structures of perovskite structured fluorides KZnF3, CsCaF3 and BaLiF3 has been carried out by means of density functional theory. The calculated structural properties including elastic constants and equation of state agree well with available experimental information. The phonon dispersion curves are in good agreement with available experimental inelastic neutron scattering data. The electronic structures of these fluorides have been calculated using the quasi particle self-consistent [Formula: see text] approximation. The [Formula: see text] calculations reveal that all the fluorides studied are wide band gap insulators, and the band gaps are significantly larger than those obtained by the standard local density approximation, thus emphasizing the importance of quasi particle corrections in perovskite fluorides.

  1. High Pressure Industrial Water Facility

    1992-01-01

    In conjunction with Space Shuttle Main Engine testing at Stennis, the Nordberg Water Pumps at the High Pressure Industrial Water Facility provide water for cooling the flame deflectors at the test stands during test firings.

  2. High Pressure Research on Materials

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

  3. High pressure and synchrotron radiation satellite workshop

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

    2006-07-01

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

  4. High pressure and synchrotron radiation satellite workshop

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

    2006-01-01

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

  5. Crystal structure, equation of state, and elasticity of hydrous aluminosilicate phase, topaz-OH (Al2SiO4(OH)2) at high pressures

    Mookherjee, Mainak; Tsuchiya, Jun; Hariharan, Anant

    2016-02-01

    We examined the equation of state and high-pressure elasticity of the hydrous aluminosilicate mineral topaz-OH (Al2SiO4(OH)2) using first principles simulation. Topaz-OH is a hydrous phase in the Al2O3-SiO2-H2O (ASH) ternary system, which is relevant for the mineral phase relations in the hydrated sedimentary layer of subducting slabs. Based on recent neutron diffraction experiments, it is known that the protons in the topaz-OH exhibit positional disorder with half occupancy over two distinct crystallographic sites. In order to adequately depict the proton environment in the topaz-OH, we examined five crystal structure models with distinct configuration for the protons in topaz-OH. Upon full geometry optimization we find two distinct space group, an orthorhombic Pbnm and a monoclinic P21/c for topaz-OH. The topaz-OH with the monoclinic P21/c space group has a lower energy compared to the orthorhombic Pbmn space group symmetry. The pressure-volume results for the monoclinic topaz-OH is well represented by a third order Birch-Murnaghan formulation, with V0mon = 348.63 (±0.04) Å3, K0mon = 164.7 (±0.04) GPa, and K0mon = 4.24 (±0.05). The pressure-volume results for the orthorhombic topaz-OH is well represented by a third order Birch-Murnaghan formulation, with V0orth = 352.47 (±0.04) Å3, K0orth = 166.4 (±0.06) GPa, and K0orth = 4.03 (±0.04). While the bulk moduli are very similar for both the monoclinic and orthorhombic topaz-OH, the shear elastic constants and the shear moduli are very sensitive to the position of the proton, orientation of the O-H dipole, and the space group symmetry. The S-wave anisotropy for the orthorhombic and monoclinic topaz-OH are also quite distinct. In the hydrated sedimentary layer of subducting slabs, transformation of a mineral assemblage consisting of coesite (SiO2) and diaspore (AlOOH) to topaz-OH (Al2SiO4(OH)2) is likely to be accompanied by an increase in density, compressional velocity, and shear wave velocity. However

  6. High-pressure phase diagram of hydrogen and deuterium sulfides from first principles: Structural and vibrational properties including quantum and anharmonic effects

    Bianco, Raffaello; Errea, Ion; Calandra, Matteo; Mauri, Francesco

    2018-06-01

    We study the structural and vibrational properties of the high-temperature superconducting sulfur trihydride and trideuteride in the high-pressure I m 3 ¯m and R 3 m phases by first-principles density-functional-theory calculations. On lowering pressure, the rhombohedral transition I m 3 ¯m →R 3 m is expected, with hydrogen-bond desymmetrization and occurrence of trigonal lattice distortion. With both Perdew-Burke-Ernzerhof (PBE) and Becke-Lee-Yang-Parr (BLYP) exchange-correlation functional, in hydrostatic conditions we find that, contrary to what is suggested in some recent experiments, if the rhombohedral distortion exists it affects mainly the hydrogen bonds, whereas the resulting cell distortion is minimal. We estimate that the occurrence of a stress anisotropy of approximately 10 % could explain this discrepancy. Assuming hydrostatic conditions, we calculate the critical pressure at which the rhombohedral transition occurs. Quantum and anharmonic effects, which are relevant in this system, are included at nonperturbative level with the stochastic self-consistent harmonic approximation. Within this approach, we determine the transition pressure by calculating the free-energy Hessian, a method that allows to estimate the critical pressure with much higher precision (and much lower computational cost) compared with the free-energy "finite-difference" approach previously used. Using PBE and BLYP, we find that quantum anharmonic effects are responsible for a strong reduction of the critical pressure with respect to the one obtained with the classical harmonic approach. Interestingly, for the two functionals, even if the transition pressures at classical harmonic level differ by 83 GPa, the transition pressures including quantum anharmonic effects differ only by 23 GPa. Moreover, we observe a prominent isotope effect, as we estimate higher transition pressure for D3S than for H3S . Finally, within the stochastic self-consistent harmonic approximation, with PBE

  7. Effect of high pressure on the relaxation dynamics of glass-forming liquids

    Paluch, M; Grzybowska, K; Grzybowski, A [Institute of Physics, Silesian University, ulica Uniwersytecka 4, 40-007 Katowice (Poland)

    2007-05-23

    A glass is usually formed by cooling a liquid at a rate sufficient to avoid crystallization. In the vicinity of the glass transition the structural relaxation time increases with lowering temperature in a non-Arrhenius fashion and the structural relaxation function reveals a non-Debye behaviour. However, liquid can be also vitrified by keeping it at a constant temperature and increasing the pressure. This pressure-induced transition to the glassy state is also accompanied by dramatic changes in the relaxation dynamics. Herein we discuss the behaviour of the structural relaxation times of glass-forming liquids and polymer melts under high pressure.

  8. Effect of high pressure on the relaxation dynamics of glass-forming liquids

    Paluch, M; Grzybowska, K; Grzybowski, A

    2007-01-01

    A glass is usually formed by cooling a liquid at a rate sufficient to avoid crystallization. In the vicinity of the glass transition the structural relaxation time increases with lowering temperature in a non-Arrhenius fashion and the structural relaxation function reveals a non-Debye behaviour. However, liquid can be also vitrified by keeping it at a constant temperature and increasing the pressure. This pressure-induced transition to the glassy state is also accompanied by dramatic changes in the relaxation dynamics. Herein we discuss the behaviour of the structural relaxation times of glass-forming liquids and polymer melts under high pressure

  9. Theoretical study of the elastic and thermodynamic properties of Pt_{3}Al with the L1_{2} structure under high pressure

    N. Wei

    2015-12-01

    Full Text Available In this work, the elastic and thermodynamic properties of Pt_{3}Al under high pressure are investigated using density functional theory within the generalized gradient approximation. The results of bulk modulus and elastic constants at zero pressure are in good agreement with the available theoretical and experimental values. Under high pressure, all the elastic constants meet the corresponding mechanical stability criteria, meaning that Pt_{3}Al possesses mechanical stability. In addition, the elastic constants and elastic modulus increase linearly with the applied pressure. According to the Poisson's ratio ν and elastic modulus ratio (B/G, Pt_{3}Al alloy is found to be ductile, and higher pressure can significantly enhance the ductility. Those indicate that the elastic properties of Pt_{3}Al will be improved under high pressure. Through the quasi-harmonic Debye model, we first successfully report the variations of the Debye temperature Θ_{D}, specific heats C_{P}, thermal expansion coefficient α, and Grüneisen parameter γ under pressure range from 0 to 100 GPa and temperature range from 0 to 1000 K.

  10. Structural behaviour of nitrogen in oxide ceramics

    Ghauri, K.M.

    1997-01-01

    The solubility of nitrogen in molten oxides has significant consideration for two quite different types of engineering materials. The implication of a knowledge of the role of nitrogen in these oxides for refining high nitrogen steels in obvious but similar nitrogen-bearing oxide melts are of critical importance in the densification of silicon nitride ceramics. Present paper discusses structural behaviour and phase equilibria qualitatively in the light of knowledge available on slag structure through infrared and x-ray diffraction. Nitrogen solubility in glasses and related sialon based ceramics may be of paramount importance to understand the role of nitrogen in these materials as these oxides are similar in composition, structure and characteristics to sintering glasses in nitrogen ceramics. It is quite logical to infer that the same oxide model can be applied in order to massively produce nitrogen alloyed steels which are actively competing to be the materials of the next century. (author)

  11. Structural behaviour of the GAMMA 60 prototype

    Falchetta, M.; Matano, F. [ENEA C.R.E., Rome (Italy); Botta, G.; Cavaliere, M. [ENEL C.R.E.,Milano (Italy); Doman, G.S.; Golinelli, S. [West V., Rome (Italy); Viani, S. [ISMES (Italy)

    1996-12-31

    A joint test campaign started in April 1993 on the GAMMA 60 broad range variable speed, yaw controlled, 1500 kW wind turbine prototype, operating at the ENEL test field of Alta Nurra - Sardinia. As part of the test campaign the structural behaviour of the machine has been investigated and the aeroelastic simulation of the machine using GAROS code has been improved and verified with available data. The experimental loads, measured with a number of strain gages at various locations in the rotor, yaw actuator and tower have been compared, as far as possible, with the design loads. No major structural problems have been detected during operation, while measured loads and stress levels are generally comparable with the design assumptions. In addition, substantial experience in the use of the code has been gained, increasing confidence level of predictions. (author)

  12. High-pressure sodium lamp

    1996-01-01

    A high pressure sodium lamp of the invention is provided with a discharge vessel (20) which is enclosed with intervening space (1) by an outer bulb (10), which space contains a gas-fill with at least 70 mol. % nitrogen gas. Electrodes (30a, 30b) are positioned in the discharge vessel (20) and are

  13. High-pressure water facility

    2006-01-01

    NASA Test Operations Group employees, from left, Todd Pearson, Tim Delcuze and Rodney Wilkinson maintain a water pump in Stennis Space Center's high-pressure water facility. The three were part of a group of employees who rode out Hurricane Katrina at the facility and helped protect NASA's rocket engine test complex.

  14. Dynamism or Disorder at High Pressures?

    Angel, R. J.; Bismayer, U.; Marshall, W. G.

    2002-12-01

    Phase transitions in minerals at elevated temperatures typically involve dynamics as a natural consequence of the increase in thermal energy available to the system. Classic examples include quartz, cristobalite, and carbonates in which the high-temperature, high symmetry phase is dynamically disordered. This disorder has important thermodynamic consequences, including displacement and curvature of phase boundaries (e.g. calcite-aragonite). In other minerals such as clinopyroxenes and anorthite feldspar, the dynamic behaviour is restricted to the neighbourhood of the phase transition. The fundamental question is whether increasing pressure generally suppresses such dynamic behaviour (as in anorthite; Angel, 1988), or not. In the latter case it must be included in thermodynamic models of high-pressure phase equilibria and seismological modelling of the mantle; the potential dynamics and softening in stishovite may provide the critical observational constraint on the presence or otherwise of free silica in the lower mantle. We have continued to use the lead phosphate as a prototype ferroelastic in which to understand dynamic behaviour, simply because its dynamics and transition behaviour is far better characterised than any mineral. Furthermore, the phase transition is at a pressure where experimental difficulties do not dominate the experimental results. Our previous neutron diffraction study (Angel et al., 2001) revealed that some disorder, either dynamic or static, is retained in the high-symmetry, high-pressure phase just above the phase transition. New neutron diffraction data on the pure material now suggests that this disorder slowly decreases with increasing pressure until at twice the transition pressure it is ordered. Further data for doped material provides insights into the nature of this disorder. Angel (1988) Amer. Mineral. 73:1114. Angel et al (2001) J PhysC 13: 5353.

  15. High-Pressure Polymorphism in Orthoamphiboles

    Finkelstein, G. J.; Zhang, D.; Shelton, H.; Dera, P.

    2017-12-01

    Amphiboles are double-chain silicate minerals that are the structurally hydrated counterpart to single-chain, anhydrous pyroxenes. They may play an important role in the earth as a carrier for volatiles in subduction zones, as well as a generator for seismic anisotropy in the upper mantle. Recent work has described previously unrecognized high-pressure polymorphism at low temperatures in a variety of pyroxene minerals, which may be relevant for the structure and dynamics of thick, cold, subducted slabs. However, high-pressure polymorphism in amphiboles above a few GPa in pressure has not been well explored, and if similar polymorphism to pyroxenes exists in this mineral family, it may affect the extent and depth of volatile transport in amphiboles, as well as their rheological properties. At low temperatures and high pressures, orthopyroxenes undergo crystal structure transitions at lower pressures than clinopyroxenes (10-30 GPa vs. > 50 GPa), so for this study we have investigated polymorphism in the anthophyllite-gedrite (Al-free and Al rich) orthoamphibole solid solution series. Using neon gas-loaded diamond anvil cells, we compressed both phases to a maximum pressure of 31 GPa, and observed transitions to new monoclinic structures in both endmembers. In this presentation, we will discuss the details of these transitions and implications for the earth's interior.

  16. High pressure phase transformations revisited.

    Levitas, Valery I

    2018-04-25

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

  17. High pressure phase transformations revisited

    Levitas, Valery I.

    2018-04-01

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

  18. Advanced Diagnostics for High Pressure Spray Combustion.

    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.

  19. Raman spectroscopy of triolein under high pressures

    Tefelski, D. B.; Jastrzębski, C.; Wierzbicki, M.; Siegoczyński, R. M.; Rostocki, A. J.; Wieja, K.; Kościesza, R.

    2010-03-01

    This article presents results of the high pressure Raman spectroscopy of triolein. Triolein, a triacylglyceride (TAG) of oleic acid, is an unsaturated fat, present in natural oils such as olive oil. As a basic food component and an energy storage molecule, it has considerable importance for food and fuel industries. To generate pressure in the experiment, we used a high-pressure cylindrical chamber with sapphire windows, presented in (R.M. Siegoczyński, R. Kościesza, D.B. Tefelski, and A. Kos, Molecular collapse - modification of the liquid structure induced by pressure in oleic acid, High Press. Res. 29 (2009), pp. 61-66). Pressure up to 750 MPa was applied. A Raman spectrometer in "macro"-configuration was employed. Raman spectroscopy provides information on changes of vibrational modes related to structural changes of triolein under pressure. Interesting changes in the triglyceride C‒H stretching region at 2650-3100 cm-1 were observed under high-pressures. Changes were also observed in the ester carbonyl (C˭ O) stretching region 1700-1780 cm-1 and the C‒C stretching region at 1050-1150 cm-1. The overall luminescence of the sample decreased under pressure, making it possible to set longer spectrum acquisition time and obtain more details of the spectrum. The registered changes suggest that the high-pressure solid phase of triolein is organized as β-polymorphic, as was reported in (C. Akita, T. Kawaguchi, and F. Kaneko, Structural study on polymorphism of cis-unsaturated triacylglycerol: Triolein, J. Phys. Chem. B 110 (2006), pp. 4346-4353; E. Da Silva and D. Rousseau, Molecular order and thermodynamics of the solid-liquid transition in triglycerides via Raman spectroscopy, Phys. Chem. Chem. Phys. 10 (2008), pp. 4606-4613) (with temperature-induced phase transitions). The research has shown that Raman spectroscopy in TAGs under pressure reveals useful information about its structural changes.

  20. High pressure neutron powder diffraction at LANSCE

    Von Dreele, R.B.

    1994-01-01

    By making use of the recently developed ''Paris-Edinburgh'' high pressure cell, the author has successfully performed neutron powder experiments to 10GPa at ambient temperature. Results for the structural compression of the high Tc 1223-Hg superconductor to 9.2 GPa, the compression and possible hydrogen bond formation in brucite, Mg(OD) 2 , to 9.3 GPa, and the molecular reorientation in nitromethane to 5.5 GPa will be presented

  1. High-Pressure Lightweight Thrusters

    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

  2. SrWO{sub 4} at high pressures

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

    2005-11-01

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

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

    Pan Zicheng; Sun Hong; Chen Changfeng

    2005-01-01

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

  4. The effect of high pressures on actinide metals

    Benedict, U.

    1987-01-01

    The solid state properties of the actinides are controlled by the dualism of the localized and itinerant (delocalized) configuration of the 5f electrons. This dualism allows to define two main subgroups. At ambient pressures the first subgroup, of elements with atomic number 91 to 94, is characterized by 5f electrons in an itinerant state and the second subgroup, atomic number 95 to 98, by 5f electrons in a localized state. The latter means that these electrons have well defined energy levels and do not contribute to the metallic bond. The other two subgroups consist of thorium, as a subgroup of its own because its 5f levels are practically unoccupied in the ground state configuration, and of the five heaviest elements with atomic number 99 to 103. The most remarkable effect of pressure on the actinide metals is that due to closer contact between the lattice atoms, localized 5f electrons can become itinerant, hybridise with the conduction electrons and participate in the metallic bond. In this chapter the high-pressure structural behaviour of actinide metals is reviewed. Section 3 gives an introduction into the techniques of generating and measuring pressure and of determining various physical properties of the actinides under pressure and describes a few high-pressure devices and methods. Sections 4 to 7 treat the high-pressure results for each subgroup separately. In section 8 the results of the preceding sections are brought together in a graphical representation which consists of interconnecting binary phase diagrams of neighbouring actinide metals. 155 refs.; 14 figs.; 7 tabs. (H.W.)

  5. Soil structural behaviour of flooded soils

    Taboada, M.A.

    2004-01-01

    The objectives of this presentation are to: identify factors determining of the structural behaviour of flooded soils, as compared to those acting in upland soils; analyse the influence of reductive processes on aggregate stabilising agents; discuss mechanisms of structural deterioration and recovery during the flooding-drying cycle, on the basis of a case study: cattle trampling effects in the flooding Pampa of Argentina. Flooded soils, now known as Hydric soils, are characteristic of wetlands and irrigated fields cropped to rice (paddy soils). In them, water covers the soil, or is present either at or near the surface of the soil all year or for varying periods of time during the year. Hydric soils belong to different taxa of the FAO-UNESCO Soil Map (2000). Fluvisols, Planosols and Gleysols are widespread distributed in the globe. The generation of redoximorphic features is due to different causes in each of them. Fluvisols are covered part of the year by surface water from river overflows; Planosols are soils having an impervious Bt horizon, supporting perched water during short periods; and Gleysols are soils affected by stagnant water tables during long periods

  6. Behaviour of prestressed concrete containment structures

    MacGregor, J.G.; Murray, D.W.; Simmonds, S.H.

    1980-05-01

    The most significant finds from a study to assess the response of prestressed concrete secondary containment structures for nuclear reactors under the influence of high internal overpressures are presented. A method of analysis is described for determining the strains and deflections including effects of inelastic behaviour at various points in the structure resulting from increasing internal pressures. Experimentally derived relationships between the strains and crack spacing, crack width and leakage rate are given. These procedures were applied to the Gentilly-2 containment building to obtain the following results: (1) The first through-the-wall cracks would occur in the dome at 48 psi or 2.3 times the proof test pressure. (2) At this pressure leakage would begin and would increase exponentially as the pressure increases such that at 93% of the predicted failure load the calculated leakage rate would be approximately equal to the volume of the containment each second. (3) Assuming the pressurizing medium could be supplied sufficiently rapidly, failure would occur due to rupture of the horizontal tendons at approximately 77 psi. (author)

  7. Cryogenic, Absolute, High Pressure Sensor

    Chapman, John J. (Inventor); Shams. Qamar A. (Inventor); Powers, William T. (Inventor)

    2001-01-01

    A pressure sensor is provided for cryogenic, high pressure applications. A highly doped silicon piezoresistive pressure sensor is bonded to a silicon substrate in an absolute pressure sensing configuration. The absolute pressure sensor is bonded to an aluminum nitride substrate. Aluminum nitride has appropriate coefficient of thermal expansion for use with highly doped silicon at cryogenic temperatures. A group of sensors, either two sensors on two substrates or four sensors on a single substrate are packaged in a pressure vessel.

  8. Cryogenic High Pressure Sensor Module

    Chapman, John J. (Inventor); Shams, Qamar A. (Inventor); Powers, William T. (Inventor)

    1999-01-01

    A pressure sensor is provided for cryogenic, high pressure applications. A highly doped silicon piezoresistive pressure sensor is bonded to a silicon substrate in an absolute pressure sensing configuration. The absolute pressure sensor is bonded to an aluminum nitride substrate. Aluminum nitride has appropriate coefficient of thermal expansion for use with highly doped silicon at cryogenic temperatures. A group of sensors, either two sensors on two substrates or four sensors on a single substrate are packaged in a pressure vessel.

  9. Brillouin scattering at high pressures

    Grimsditch, M.; Polian, A.

    1988-02-01

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

  10. Raman study of opal at high pressure

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

    2011-12-01

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

  11. High pressure photoinduced ring opening of benzene

    Ciabini, Lucia; Santoro, Mario; Bini, Roberto; Schettino, Vincenzo

    2002-01-01

    The chemical transformation of crystalline benzene into an amorphous solid (a-C:H) was induced at high pressure by employing laser light of suitable wavelengths. The reaction was forced to occur at 16 GPa, well below the pressure value (23 GPa) where the reaction normally occurs. Different laser sources were used to tune the pumping wavelength into the red wing of the first excited singlet state S 1 ( 1 B 2u ) absorption edge. Here the benzene ring is distorted, presenting a greater flexibility which makes the molecule unstable at high pressure. The selective pumping of the S 1 level, in addition to structural considerations, was of paramount importance to clarify the mechanism of the reaction

  12. High-pressure torsion of hafnium

    Edalati, Kaveh; Horita, Zenji; Mine, Yoji

    2010-01-01

    Pure Hf (99.99%) is processed by high-pressure torsion (HPT) under pressures of 4 and 30 GPa to form an ultrafine-grained structure with a gain size of ∼180 nm. X-ray diffraction analysis shows that, unlike Ti and Zr, no ω phase formation is detected after HPT processing even under a pressure of 30 GPa. A hydride formation is detected after straining at the pressure of 4 GPa. The hydride phase decomposes either by application of a higher pressure as 30 GPa or by unloading for prolong time after HPT processing. Microhardness, tensile and bending tests show that a high hardness (360 Hv) and an appreciable ductility (8%) as well as high tensile and bending strength (1.15 and 2.75 GPa, respectively) are achieved following the high-pressure torsion.

  13. Chemical Kinetic Influences of Alkyl Chain Structure on the High Pressure and Temperature Oxidation of a Representative Unsaturated Biodiesel: Methyl Nonenoate.

    Fridlyand, Aleksandr; Goldsborough, S Scott; Brezinsky, Kenneth

    2015-07-16

    The high pressure and temperature oxidation of methyl trans-2-nonenoate, methyl trans-3-nonenoate, 1-octene, and trans-2-octene are investigated experimentally to probe the influence of the double bond position on the chemical kinetics of long esters and alkenes. Single pulse shock tube experiments are performed in the ranges p = 3.8-6.2 MPa and T = 850-1500 K, with an average reaction time of 2 ms. Gas chromatographic measurements indicate increased reactivity for trans-2-octene compared to 1-octene, whereas both methyl nonenoate isomers have reactivities similar to that of 1-octene. A difference in the yield of stable intermediates is observed for the octenes when compared to the methyl nonenoates. Chemical kinetic models are developed with the aid of the Reaction Mechanism Generator to interpret the experimental results. The models are created using two different base chemistry submodels to investigate the influence of the foundational chemistry (i.e., C0-C4), whereas Monte Carlo simulations are performed to examine the quality of agreement with the experimental results. Significant uncertainties are found in the chemistry of unsaturated esters with the double bonds located close to the ester groups. This work highlights the importance of the foundational chemistry in predictive chemical kinetics of biodiesel combustion at engine relevant conditions.

  14. High pressure experimental water loop

    Grenon, M.

    1958-01-01

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

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

    Olsen, J.S.; Steenstrup, S.

    1983-12-01

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

  16. Structural study of U(Pd sub 1 sub - sub x Fe sub x) sub 2 Ge sub 2 at high pressure

    Sikolenko, V V; Pomjakushina, E V; Pomjakushin, V Y; Balagurov, A M; Keller, L; Glazkov, V P; Gribanov, A V; Goncharenko, I N; Savenko, B N

    2003-01-01

    The crystal structure of the U(Pd sub 1 sub - sub x Fe sub x) sub 2 Ge sub 2 compounds with Fe content x = 0- 0.03 and the crystal and magnetic structure of U(Pd sub 0 sub . sub 9 sub 8 Fe sub 0 sub . sub 0 sub 2) sub 2 Ge sub 2 at high external pressures up to 4.5 GPa were studied by means of powder neutron diffraction in the temperature range 1.5-300 K. With increasing Fe content the values of the lattice parameters and interatomic distances change only slightly, but it is known from previous experiments that the magnetic structure changes drastically for x >= 0.015. In contrast to this, high external pressure modifies the crystal structure more significantly while the magnetic structure remains unchanged. The results obtained allow one to infer that drastic changes in the magnetic structure of the U(Pd sub 1 sub - sub x Fe sub x) sub 2 Ge sub 2 compounds with increasing Fe content are a consequence of modification of the RKKY-type (RKKY standing for Ruderman, Kittel, Kasuya and Yosida) indirect exchange in...

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

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

    1995-01-01

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

  18. Phase transition of LaX (X = P, As, Sb and Bi) at high pressure: Theoretical investigation of the structural and electronic properties

    Charifi, Z.; Reshak, Ali H; Baaziz, H.

    2008-01-01

    Roč. 148, 3-4 (2008), s. 139-144 ISSN 0038-1098 Institutional research plan: CEZ:AV0Z60870520 Keywords : Metals * Electronic band structure * Density functional theory (DFT) Subject RIV: BO - Biophysics Impact factor: 1.557, year: 2008

  19. High-pressure structural, elastic, and thermodynamic properties of zircon-type HoPO4 and TmPO4

    Gomis, O; Lavina, B; Rodríguez-Hernández, P; Muñoz, A; Errandonea, R; Errandonea, D; Bettinelli, M

    2017-01-01

    Zircon-type holmium phosphate (HoPO 4 ) and thulium phosphate (TmPO 4 ) have been studied by single-crystal x-ray diffraction and ab initio calculations. We report on the influence of pressure on the crystal structure, and on the elastic and thermodynamic properties. The equation of state for both compounds is accurately determined. We have also obtained information on the polyhedral compressibility which is used to explain the anisotropic axial compressibility and the bulk compressibility. Both compounds are ductile and more resistive to volume compression than to shear deformation at all pressures. Furthermore, the elastic anisotropy is enhanced upon compression. Finally, the calculations indicate that the possible causes that make the zircon structure unstable are mechanical instabilities and the softening of a silent B 1u mode. (paper)

  20. System Reliability of Timber Structures with Ductile Behaviour

    Kirkegaard, Poul Henning; Sørensen, John Dalsgaard; Čizmar, Dean

    2011-01-01

    The present paper considers the evaluation of timber structures with the focus on robustness due to connection ductility. The robustness analysis is based on the structural reliability framework applied to a simplified mechanical system. The structural timber system is depicted as a parallel system....... An evaluation method of the ductile behaviour is introduced. For different ductile behaviours, the system reliability is estimated based on Monte Carlo simulation. A correlation between the strength of the structural elements is introduced. The results indicate that the reliability of a structural timber system...

  1. A modeling of the structure and favorable H-docking sites and defects for the high-pressure silica polymorph stishovite

    Gibbs, G. V.; Cox, D. F.; Ross, N. L.

    Employing first-principles methods, the docking sites for H were determined and H, Al, and vacancy defects were modeled with an infinite periodic array of super unit cells each consisting of 27 contiguous symmetry nonequivalent unit cells of the crystal structure of stishovite. A geometry optimization of the super-cell structure reproduces the observed bulk structure within the experimental error when P1 translational symmetry was assumed and an array of infinite extent was generated. A mapping of the valence electrons for the structure displays mushroom-shaped isosurfaces on the O atom, one on each side of the plane of the OSi3 triangle in the nonbonded region. An H atom, placed in a cell near the center of the super cell, was found to dock upon geometry optimization at a distance of 1.69 Å from the O atom with the OH vector oriented nearly perpendicular to the plane of the triangle such that the OH vector makes a angle of 91° with respect to [001]. However, an optimization of a super cell with an Al atom replacing Si and an H atom placed nearby in a centrally located cell resulted in an OH distance of 1.02 Å with the OH vector oriented perpendicular to [001] as observed in infrared studies. The geometry-optimized position of the H atom was found to be in close agreement with that (0.44, 0.12, 0.0) determined in an earlier study of the theoretical electron density distribution. The docking of the H atom at this site was found to be 330 kJ mol-1 more stable than a docking of the atom just off the shared OO edge of the octahedra as determined for rutile. A geometry optimization of a super cell with a missing Si generated a vacant octahedra that is 20% larger than that of the SiO6 octahedra. The valence electron density distribution displayed by the two-coordinate O atoms that coordinate the vacant octahedral site is very similar to those displayed by the bent SiOSi angles in coesite. The internal distortions induced by the defect were found to diminish rather

  2. High pressure research at CHESS

    Brister, K.

    1992-01-01

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

  3. High Pressure Electrolyzer System Evaluation

    Prokopius, Kevin; Coloza, Anthony

    2010-01-01

    This report documents the continuing efforts to evaluate the operational state of a high pressure PEM based electrolyzer located at the NASA Glenn Research Center. This electrolyzer is a prototype system built by General Electric and refurbished by Hamilton Standard (now named Hamilton Sunstrand). It is capable of producing hydrogen and oxygen at an output pressure of 3000 psi. The electrolyzer has been in storage for a number of years. Evaluation and testing was performed to determine the state of the electrolyzer and provide an estimate of the cost for refurbishment. Pressure testing was performed using nitrogen gas through the oxygen ports to ascertain the status of the internal membranes and seals. It was determined that the integrity of the electrolyzer stack was good as there were no appreciable leaks in the membranes or seals within the stack. In addition to the integrity testing, an itemized list and part cost estimate was produced for the components of the electrolyzer system. An evaluation of the system s present state and an estimate of the cost to bring it back to operational status was also produced.

  4. The high-pressure electronic structure of magnesiowustite (Mg, Fe)O: applications to the physics and chemistry of the lower mantle

    Sherman, David M.

    1991-01-01

    The electronic structure of magnesiowustite is investigated using self-consistent field X?? scattered wave (SCF-X??-SW) molecular orbital calculations on (FeO6)10- and (FeMg12O14)2- clusters. Calculated one-electron transition energies are used to interpret the optical spectrum of (Mg, Fe)O. The results are applied to the electrical and thermal conductivity of the lower mantle. This is especially true if Fe2+ adopts the low-spin configuration. The geophysically significant properties of (Fe, Mg)O probably result from defect Fe3+. -from Author

  5. Practical conditions in the neutron diffraction under high pressure

    Kamigaki, Kazuo; Ohashi, Masayoshi

    1993-01-01

    Practical analysis is made on some conditions in utilizing neutrons for the study of atomistic structure of materials under high pressure. Investigation is made on the geometrical conditions; size of the specimen, width of slits, and the rate of extra-scattering. Experiments are performed on the effects of absorption by high pressure cell and the disturbance due to an overlapping of diffraction peaks. An observation is presented on the pressure-induced transformation in RbBr. (author)

  6. Behaviour of masonry structures during the Bhuj earthquake of ...

    A variety of masonry structures suffered damage during the recent Bhuj earthquake. Some of the traditional masonry structures had no earthquake resistant features and suffered considerable damage. This paper attempts to evaluate the behaviour of masonry structures based on the type of masonry used in places like Bhuj ...

  7. Pressure induced phase transition behaviour in -electron based ...

    The present review on the high pressure phase transition behaviour of ... For instance, closing of energy gaps lead to metal–insulator transitions [4], shift in energy ... systematic study of the pressure induced structural sequences has become ...

  8. Phase transitions in solids under high pressure

    Blank, Vladimir Davydovich

    2013-01-01

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

  9. When high pressure, system constraints, and a social justice mission collide: A socio-structural analysis of emergency department social work services.

    Moore, Megan; Cristofalo, Margaret; Dotolo, Danae; Torres, Nicole; Lahdya, Alexandra; Ho, Leyna; Vogel, Mia; Forrester, Mollie; Conley, Bonnie; Fouts, Susan

    2017-04-01

    The emergency department (ED) can be a critical intervention point for many patients with multifaceted needs. Social workers have long been part of interdisciplinary ED teams. This study aimed to contribute to the limited understanding of social worker-patient interactions and factors influencing social work services in this setting. This paper reports a qualitative content analysis of social work medical record notes (N = 1509) of services provided to trauma patients in an urban, public, level 1 trauma center and an in-depth analysis of semi-structured interviews with ED social workers (N = 10). Eight major social work roles were identified: investigator, gatekeeper, resource broker, care coordinator, problem solver, crisis manager, advocate, discharge planner. Analyses revealed a complex interplay between ED social work services and multi-layered contexts. Using a social-ecological framework, we identified the interactions between micro or individual level factors, mezzo or local system level factors and macro environmental and systemic factors that play a role in ED interactions and patient services. Macro-level contextual influences were socio-structural forces including socioeconomic barriers to health, social hierarchies that reflected power differentials between providers and patients, and distrust or bias. Mezzo-level forces were limited resources, lack of healthcare system coordination, a challenging hierarchy within the medical model and the pressure to discharge patients quickly. Micro-level factors included characteristics of patients and social workers, complexity of patient stressors, empathic strain, lack of closure and compassion. All of these forces were at play in patient-social worker interactions and impacted service provision. Social workers were at times able to successfully navigate these forces, yet at other times these challenges were insurmountable. A conceptual model of ED social work and the influences on the patient-social worker

  10. Computer simulations of high pressure systems

    Wilkins, M.L.

    1977-01-01

    Numerical methods are capable of solving very difficult problems in solid mechanics and gas dynamics. In the design of engineering structures, critical decisions are possible if the behavior of materials is correctly described in the calculation. Problems of current interest require accurate analysis of stress-strain fields that range from very small elastic displacement to very large plastic deformation. A finite difference program is described that solves problems over this range and in two and three space-dimensions and time. A series of experiments and calculations serve to establish confidence in the plasticity formulation. The program can be used to design high pressure systems where plastic flow occurs. The purpose is to identify material properties, strength and elongation, that meet the operating requirements. An objective is to be able to perform destructive testing on a computer rather than on the engineering structure. Examples of topical interest are given

  11. Density-driven structural transformations in network forming glasses: a high-pressure neutron diffraction study of GeO2 glass up to 17.5 GPa

    Salmon, Philip S; Drewitt, James W E; Whittaker, Dean A J; Zeidler, Anita; Wezka, Kamil; Bull, Craig L; Tucker, Matthew G; Wilding, Martin C; Guthrie, Malcolm; Marrocchelli, Dario

    2012-01-01

    The structure of GeO 2 glass was investigated at pressures up to 17.5(5) GPa using in situ time-of-flight neutron diffraction with a Paris-Edinburgh press employing sintered diamond anvils. A new methodology and data correction procedure were developed, enabling a reliable measurement of structure factors that are largely free from diamond Bragg peaks. Calibration curves, which are important for neutron diffraction work on disordered materials, were constructed for pressure as a function of applied load for both single and double toroid anvil geometries. The diffraction data are compared to new molecular-dynamics simulations made using transferrable interaction potentials that include dipole-polarization effects. The results, when taken together with those from other experimental methods, are consistent with four densification mechanisms. The first, at pressures up to ≃ 5 GPa, is associated with a reorganization of GeO 4 units. The second, extending over the range from ≃ 5 to 10 GPa, corresponds to a regime where GeO 4 units are replaced predominantly by GeO 5 units. In the third, as the pressure increases beyond ∼10 GPa, appreciable concentrations of GeO 6 units begin to form and there is a decrease in the rate of change of the intermediate-range order as measured by the pressure dependence of the position of the first sharp diffraction peak. In the fourth, at about 30 GPa, the transformation to a predominantly octahedral glass is achieved and further densification proceeds via compression of the Ge-O bonds. The observed changes in the measured diffraction patterns for GeO 2 occur at similar dimensionless number densities to those found for SiO 2 , indicating similar densification mechanisms for both glasses. This implies a regime from about 15 to 24 GPa where SiO 4 units are replaced predominantly by SiO 5 units, and a regime beyond ∼24 GPa where appreciable concentrations of SiO 6 units begin to form.

  12. A first-principle study on the phase transition, electronic structure, and mechanical properties of three-phase ZrTi2 alloy under high pressure*

    Yuan, Xiao-Li; Xue, Mi-An; Chen, Wen; An, Tian-Qing

    2016-11-01

    We employed density-functional theory (DFT) within the generalized gradient approximation (GGA) to investigate the ZrTi2 alloy, and obtained its structural phase transition, mechanical behavior, Gibbs free energy as a function of pressure, P-V equation of state, electronic and Mulliken population analysis results. The lattice parameters and P-V EOS for α, β and ω phases revealed by our calculations are consistent with other experimental and computational values. The elastic constants obtained suggest that ω-ZrTi2 and α-ZrTi2 are mechanically stable, and that β-ZrTi2 is mechanically unstable at 0 GPa, but becomes more stable with increasing pressure. Our calculated results indicate a phase transition sequence of α → ω → β for ZrTi2. Both the bulk modulus B and shear modulus G increase linearly with increasing pressure for three phases. The G/B values illustrated good ductility of ZrTi2 alloy for three phases, with ωJournal web page at http://dx.doi.org/10.1140/epjb/e2016-70218-0

  13. Impact of High-Temperature, High-Pressure Synthesis Conditions on the Formation of the Grain Structure and Strength Properties of Intermetallic Ni3Al

    Ovcharenko, V. E.; Ivanov, K. V.; Boyangin, E. N.; Krylova, T. A.; Pshenichnikov, A. P.

    2018-01-01

    The impact of the preliminary load on 3Ni+Al powder mixture and the impact of the duration of the delay in application of compacting pressure to synthesis product under the conditions of continuous heating of the mixture up to its self-ignition on the grain size and strength properties of the synthesized Ni3Al intermetallide material have been studied. The grain structure of the intermetallide synthesized under pressure was studied by means of metallography, transmission electron microscopy and EBSD analysis, with the dependence of ultimate tensile strength on the grain size in the synthesized intermetallide having been investigated at room temperature and at temperatures up to 1000°C. It is shown that an increase in the pressure preliminarily applied to the initial mixture compact results in reduced grain size of the final intermetallide, whereas an increase in pre-compaction time makes the grain size increased. A decrease in the grain size increases the ultimate tensile strength of the intermetallide. The maximum value of the ultimate tensile strength in the observed anomalous temperature dependence of this strength exhibits a shift by 200°C toward higher temperatures, and the ultimate strength of the synthesized intermetallide at 1000°C increases roughly two-fold.

  14. Structural relaxation and thermal conductivity of high-pressure formed, high-density di-n-butyl phthalate glass and pressure induced departures from equilibrium state.

    Johari, G P; Andersson, Ove

    2017-06-21

    We report a study of structural relaxation of high-density glasses of di-n-butyl phthalate (DBP) by measuring thermal conductivity, κ, under conditions of pressure and temperature (p,T) designed to modify both the vibrational and configurational states of a glass. Various high-density glassy states of DBP were formed by (i) cooling the liquid under a fixed high p and partially depressurizing the glass, (ii) isothermal annealing of the depressurized glass, and (iii) pressurizing the glass formed by cooling the liquid under low p. At a given low p, κ of the glass formed by cooling under high p is higher than that of the glass formed by cooling under low p, and the difference increases as glass formation p is increased. κ of the glass formed under 1 GPa is ∼20% higher at ambient p than κ of the glass formed at ambient p. On heating at low p, κ decreases until the glass to liquid transition range is reached. This is the opposite of the increase in κ observed when a glass formed under a certain p is heated under the same p. At a given high p, κ of the low-density glass formed by cooling at low p is lower than that of the high-density glass formed by cooling at that high p. On heating at high p, κ increases until the glass to liquid transition range is reached. The effects observed are due to a thermally assisted approach toward equilibrium at p different from the glass formation p. In all cases, the density, enthalpy, and entropy would change until the glasses become metastable liquids at a fixed p, thus qualitatively relating κ to variation in these properties.

  15. Behaviour of cellular structures with fluid fillers under impact loading

    Matej Vesenjak

    2007-03-01

    Full Text Available The paper investigates the behaviour of closed- and open-cell cellular structures under uniaxial impact loading by means of computational simulations using the explicit nonlinear finite element code LS-DYNA. Simulations also consider the influence of pore fillers and the base material strain rate sensitivity. The behaviour of closed-cell cellular structure has been evaluated with use of the representative volume element, where the influence of residual gas inside the closed pores has been studied. Open- cell cellular structure was modelled as a whole to properly account for considered fluid flow through the cells, which significantly influences macroscopic behaviour of the cellular structure. The fluid has been modelled by applying a meshless Smoothed Particle Hydrodynamics (SPH method. Parametric computational simulations provide grounds for optimization of cellular structures to satisfy different requirements, which makes them very attractive for use in general engineering applications.

  16. High-pressure synthesis and single-crystal structure elucidation of the indium oxide-borate In{sub 4}O{sub 2}B{sub 2}O{sub 7}

    Ortner, Teresa S.; Vitzthum, Daniela; Heymann, Gunter; Huppertz, Hubert [Department of General, Inorganic and Theoretical Chemistry, Centre of Chemistry and Biomedicine (CCB), Leopold-Franzens-University Innsbruck (Austria)

    2017-12-29

    The indium oxide-borate In{sub 4}O{sub 2}B{sub 2}O{sub 7} was synthesized under high-pressure/high-temperature conditions at 12.5 GPa/1420 K using a Walker-type multianvil apparatus. Single-crystal X-ray structure elucidation showed edge-sharing OIn{sub 4} tetrahedra and B{sub 2}O{sub 7} units building up the oxide-borate. It crystallizes with Z = 8 in the monoclinic space group P2{sub 1}/n (no. 14) with a = 1016.54(3), b = 964.55(3), c = 1382.66(4) pm, and β = 109.7(1) . The compound was also characterized by powder X-ray diffraction and vibrational spectroscopy. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  17. High-pressure synthesis, crystal structure, and magnetic properties of KSbO3-type 5d oxides K0.84OsO3 and Bi2.93Os3O11

    Yuan, Yahua; Feng, Hai L.; Shi, Youguo; Tsujimoto, Yoshihiro; Belik, Alexei A.; Matsushita, Yoshitaka; Arai, Masao; He, Jianfeng; Tanaka, Masahiko; Yamaura, Kazunari

    2014-12-01

    5d Solid-state oxides K0.84OsO3 (Os5.16+; 5d 2.84) and Bi2.93Os3O11 (Os4.40+; 5d 3.60) were synthesized under high-pressure and high-temperature conditions (6 GPa and 1500-1700 °C). Their crystal structures were determined by synchrotron x-ray diffraction and their 5d electronic properties and tunnel-like structure motifs were investigated. A KSbO3-type structure with a space group of Im-3 and Pn-3 was determined for K0.84OsO3 and Bi2.93Os3O11, respectively. The magnetic and electronic transport properties of the polycrystalline compounds were compared with those obtained theoretically. It was revealed that the 5d tunnel-like structures are paramagnetic with metallic charge conduction at temperatures above 2 K. This was similar to what was observed for structurally relevant 5d oxides, including Bi3Re3O11 (Re4.33+; 5d 2.66) and Ba2Ir3O9 (Ir4.66+; 5d 4.33). The absence of long-range magnetic order seems to be common among 5d KSbO3-like oxides, regardless of the number of 5d electrons (between 2.6 and 4.3 per 5d atom).

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

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

    2016-08-12

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

  19. Blue emitting organic semiconductors under high pressure

    Knaapila, Matti; Guha, Suchismita

    2016-01-01

    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 inter......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...... and intermolecular interactions on optical excitations, electron–phonon interaction, and changes in backbone conformations. This picture is connected to the optical high pressure studies of other π-conjugated systems and emerging x-ray scattering experiments from polyfluorenes which provides a structure-property map...

  20. Parenting styles, family structure and adolescent dietary behaviour.

    Pearson, Natalie; Atkin, Andrew J; Biddle, Stuart J H; Gorely, Trish; Edwardson, Charlotte

    2010-08-01

    To examine associations between parenting styles, family structure and aspects of adolescent dietary behaviour. Cross-sectional study. Secondary schools in the East Midlands, UK. Adolescents aged 12-16 years (n 328, 57 % boys) completed an FFQ assessing their consumption of fruit, vegetables, unhealthy snacks and breakfast. Adolescents provided information on parental and sibling status and completed a seventeen-item instrument measuring the general parenting style dimensions of involvement and strictness, from which four styles were derived: indulgent, neglectful, authoritarian, authoritative. After controlling for adolescent gender and age, analysis of covariance revealed no significant interactions between parenting style and family structure variables for any of the dietary behaviours assessed. Significant main effects for family structure were observed only for breakfast consumption, with adolescents from dual-parent families (P parent families and those with one or more brother, respectively. Significant main effects for parenting style were observed for all dietary behaviours apart from vegetable consumption. Adolescents who described their parents as authoritative ate more fruit per day, fewer unhealthy snacks per day, and ate breakfast on more days per week than those who described their parents as neglectful. The positive associations between authoritative parenting style and adolescent dietary behaviour transcend family structure. Future research should be food-specific and assess the efficacy of strategies promoting the central attributes of an authoritative parenting style on the dietary behaviours of adolescents from a variety of family structures.

  1. High-pressure synthesis and crystal structures of the strontium oxogallates Sr{sub 2}Ga{sub 2}O{sub 5} and Sr{sub 5}Ga{sub 6}O{sub 14}

    Kahlenberg, Volker, E-mail: volker.kahlenberg@uibk.ac.at [Institute of Mineralogy and Petrography, University of Innsbruck, Innrain 52, Innsbruck A-6020 (Austria); Goettgens, Valerie; Mair, Philipp; Schmidmair, Daniela [Institute of Mineralogy and Petrography, University of Innsbruck, Innrain 52, Innsbruck A-6020 (Austria)

    2015-08-15

    High-pressure synthesis experiments in a piston–cylinder apparatus at 1.5 GPa/3.0 GPa and 1000 °C resulted in the formation of single-crystals of Sr{sub 2}Ga{sub 2}O{sub 5} and Sr{sub 5}Ga{sub 6}O{sub 14}, respectively. The structures of both compounds have been solved from single-crystal diffraction data sets using direct methods. The first compound is orthorhombic with space group type Pbca (a=10.0021(4) Å, b=9.601(4) Å, c=10.6700(4) Å, V=1024.6(4) Å{sup 3}, M{sub r}=394.68 u, Z=8, D{sub x}=5.12 g/cm{sup 3}) and belongs to the group of single layer gallates. Individual sheets are parallel to (0 0 1) and can be built from the condensation of unbranched vierer single chains running along [0 1 0]. The layers are characterized by the presence of four- and strongly elliptical eight-membered rings of corner connected tetrahedra in UUDD and UUUUDDDD conformation. Strontium atoms are sandwiched between the tetrahedral layers for charge compensation and are coordinated by six and seven oxygen ligands, respectively. Sr{sub 2}Ga{sub 2}O{sub 5} is isotypic with several other double sulfides and selenides. To the best of our knowledge, it is the first example of an oxide with this structure type. From a structural point of view, Sr{sub 5}Ga{sub 6}O{sub 14} is a phyllogallate as well. The crystal structure adopts the monoclinic space group P2{sub 1}/c (a=8.1426(3) Å, b=8.1803(3) Å, c=10.8755(4) Å, β=91.970(4)° V=723.98(5) Å{sup 3}, M{sub r}=1080.42 u, Z=2, D{sub x}=4.96 g/cm{sup 3}). Individual sheets extend along (0 0 1). Basic building units are unbranched dreier single chains parallel to [1 0 0]. The layers contain tertiary (Q{sup 3}) und quaternary (Q{sup 4}) connected [GaO{sub 4}]-tetrahedra in the ratio 2:1 resulting in a Ga:O ratio of 3:7 and the formation of exclusively five-membered rings. Linkage between adjacent tetrahedral sheets is provided by three symmetrically independent strontium ions which are surrounded by six to eight oxygen atoms. The layers

  2. Adolescent Risk Behaviours and Mealtime Routines: Does Family Meal Frequency Alter the Association between Family Structure and Risk Behaviour?

    Levin, Kate A.; Kirby, Joanna; Currie, Candace

    2012-01-01

    Family structure is associated with a range of adolescent risk behaviours, with those living in both parent families generally faring best. This study describes the association between family structure and adolescent risk behaviours and assesses the role of the family meal. Data from the 2006 Health Behaviour in School-Aged Children survey were…

  3. Behaviour of concrete structures in fire

    Fletcher Ian A.

    2007-01-01

    Full Text Available This paper provides a "state-of-the-art" review of research into the effects of high temperature on concrete and concrete structures, extending to a range of forms of construction, including novel developments. The nature of concrete-based structures means that they generally perform very well in fire. However, concrete is fundamentally a complex material and its properties can change dramatically when exposed to high temperatures. The principal effects of fire on concrete are loss of compressive strength, and spalling - the forcible ejection of material from the surface of a member. Though a lot of information has been gathered on both phenomena, there remains a need for more systematic studies of the effects of thermal exposures. The response to realistic fires of whole concrete structures presents yet greater challenges due to the interactions of structural elements, the impact of complex small-scale phenomena at full scale, and the spatial and temporal variations in exposures, including the cooling phase of the fire. Progress has been made on modeling the thermomechanical behavior but the treatment of detailed behaviors, including hygral effects and spalling, remains a challenge. Furthermore, there is still a severe lack of data from real structures for validation, though some valuable insights may also be gained from study of the performance of concrete structures in real fires. .

  4. Blast resistance behaviour of steel frame structures

    Varas, J.M.; Soetens, F.

    2010-01-01

    The effect of a blast explosion on a typical steel frame building is investigated by means of computer simulations. The simulations help to identify possible hot spots that may lead to local or global failure. The blast energy is transferred to the structure by means of the façade. In particular

  5. High pressure phase transitions in Europous oxide

    Kremser, D.T.

    1982-01-01

    The pressure-volume relationship for EuO was investigated to 630 kilobars at room temperature with a diamond-anvil, high-pressure cell. Volumes were determined by x-ray diffraction; pressures were determined by the ruby R 1 fluorescence method. The preferred interpretation involves normal compression behavior for EuO, initially in the B1 (NaCl-type) structure, to about 280 kilobars. Between approx. =280 and approx. =350 kilobars a region of anomalous compressibility in which the volume drops continuously by approximately 2% is observed. A second-order electronic transition is proposed with the 6s band overlapping with the 4f levels, thereby reducing the volume of EuO without changing the structure. This is not a semiconductor-to-metal transition. In reflected light, this transition is correlated with a subtle and continuous change in color from brown-black to a light brown. The collapsed B1 phase (postelectronic transition) is stable between approx. =350 and approx. =400 kilobars. At about 400 kilobars the collapsed B1 structure transforms to the B2 (CsCl-type) structure, with a zero pressure-volume change of approximately 12 +/- 1.5%

  6. Solids, liquids, and gases under high pressure

    Mao, Ho-Kwang; Chen, Xiao-Jia; Ding, Yang; Li, Bing; Wang, Lin

    2018-01-01

    Pressure has long been recognized as a fundamental thermodynamic variable but its application was previously limited by the available pressure vessels and probes. The development of megabar diamond anvil cells and a battery of associated in-laboratory and synchrotron techniques at the turn of the century have opened a vast new window of opportunities. With the addition of the pressure dimension, we are facing a new world with an order of magnitude more materials to be discovered than all that have been explored at ambient pressure. Pressure drastically and categorically alters all elastic, electronic, magnetic, structural, and chemical properties, and pushes materials across conventional barriers between insulators and superconductors, amorphous and crystalline solids, ionic and covalent compounds, vigorously reactive and inert chemicals, etc. In the process, it reveals surprising high-pressure physics and chemistry and creates novel materials. This review describes the principles and methodology used to reach ultrahigh static pressure: the in situ probes, the physical phenomena to be investigated, the long-pursued goals, the surprising discoveries, and the vast potential opportunities. Exciting examples include the quest for metallic hydrogen, the record-breaking superconducting temperature of 203 K in HnS , the complication of "free-electron gas" alkali metals, the magnetic collapse in 3 d transition elements, the pressure-induced superconductivity from topological insulators, the novel stoichiometry in simple compounds, the interaction of nanoscience, the accomplishment of 750 GPa pressure, etc. These highlights are the integral results of technological achievements, specific measurements, and theoretical advancement; therefore, the same highlights will appear in different sections corresponding to these different aspects. Overall, this review demonstrates that high-pressure research is a new dimension in condensed-matter physics.

  7. Environmental behaviour of tensile membrane structures

    Elnokaly, Amira; Chilton, John; Wilson, Robin

    2002-01-01

    This paper considers the environmental properties of spaces enclosed by tensile membrane structures (TMS). Limitations in the understanding of the environmental and thermal performance of TMS have to some extent hindered their acceptance by building clients and the building industry. A review of the early attempts to model the thermal environment of spaces enclosed by TMS is given and their environmental and thermal properties are discussed. The lack of appropriate tools for the investigation...

  8. High pressure effects on fruits and vegetables

    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

  9. Structural characterization of Mg{sub 3}MnH{sub {approx}}{sub 6}--a new high-pressure phase synthesized in a multi-anvil cell at 6 GPa

    Blomqvist, Helen; Roennebro, Ewa; Kyoi, Daisuke; Sakai, Tetsuo; Noreus, Dag

    2003-08-25

    With modern X-ray diffraction refinement methods it was shown to be possible to identify a new Mg{sub 3}MnH{sub {approx}}{sub 6} phase from a minute sample volume in spite of poor crystallinity and coexisting impurity phases. The new hydride was synthesized at 6 GPa in a high-pressure multi-anvil cell at 873 K. A monoclinic unit cell was found with a=8.827(2), b=4.657(2), c=4.676(2) A and {beta}=105.74(2) deg., space group P2{sub 1}/m (no. 11), Z=2, V=184.99 A{sup 3}. Manganese is surrounded by a distorted cube of magnesium with average Mn-Mg distances of 2.78(2) A. The cubes share edges in the b and c directions of the unit cell but are separated by a distance of {approx}3.6 A along a, forming a layered structure. The hydrogen positions were not possible to determine, as only a small sample amount could be prepared. If the metal atom structure of the title compound is compared to the already known Mg{sub 3}MnH{sub 7} it can be concluded that Mg{sub 3}MnH{sub {approx}}{sub 6} also consists of manganese hydrido complexes counterbalanced by magnesium ions, but with a different alignment of the magnesium cubes.

  10. Diamonds: powerful tools for high-pressure physics

    Anon.

    1983-01-01

    Diamond-anvil high-pressure studies have progressed to the point where they complement shock-wave studies. Because they operate at static high pressure, they permit time-consuming procedures, such as x-ray diffraction measurements for determining crystal structure. The sample material is completely recoverable and the method is adaptable to minute advantage when dealing with rare or hazardous materials. One of our goals in investigating the high-pressure behavior of iridium was to test the theoretical prediction that iridium would exhibit a phase transformation from the face-centered cubic crystal structure at about 9 GPa. Our finding that no such transformation takes place even at pressures up to 30 GPa will need to be taken into account by physicsts working to improve solid-state theory

  11. High-pressure phase transition in Ho2O3

    Lonappan, Dayana; Shekar, N.V. Chandra; Ravindran, T.R.; Sahu, P. Ch.

    2010-01-01

    High-pressure X-ray diffraction and Raman studies on holmium sesquioxide (Ho 2 O 3 ) have been carried out up to a pressure of ∼17 GPa in a diamond-anvil cell at room temperature. Holmium oxide, which has a cubic or bixbyite structure under ambient conditions, undergoes an irreversible structural phase transition at around 9.5 GPa. The high-pressure phase has been identified to be low symmetry monoclinic type. The two phases coexist to up to about 16 GPa, above which the parent phase disappears. The high-pressure laser-Raman studies have revealed that the prominent Raman band ∼370 cm -1 disappears around the similar transition pressure. The bulk modulus of the parent phase is reported.

  12. Decomposition of silicon carbide at high pressures and temperatures

    Daviau, Kierstin; Lee, Kanani K. M.

    2017-11-01

    We measure the onset of decomposition of silicon carbide, SiC, to silicon and carbon (e.g., diamond) at high pressures and high temperatures in a laser-heated diamond-anvil cell. We identify decomposition through x-ray diffraction and multiwavelength imaging radiometry coupled with electron microscopy analyses on quenched samples. We find that B3 SiC (also known as 3C or zinc blende SiC) decomposes at high pressures and high temperatures, following a phase boundary with a negative slope. The high-pressure decomposition temperatures measured are considerably lower than those at ambient, with our measurements indicating that SiC begins to decompose at ~ 2000 K at 60 GPa as compared to ~ 2800 K at ambient pressure. Once B3 SiC transitions to the high-pressure B1 (rocksalt) structure, we no longer observe decomposition, despite heating to temperatures in excess of ~ 3200 K. The temperature of decomposition and the nature of the decomposition phase boundary appear to be strongly influenced by the pressure-induced phase transitions to higher-density structures in SiC, silicon, and carbon. The decomposition of SiC at high pressure and temperature has implications for the stability of naturally forming moissanite on Earth and in carbon-rich exoplanets.

  13. Subnanosecond breakdown in high-pressure gases

    Naidis, George V.; Tarasenko, Victor F.; Babaeva, Natalia Yu; Lomaev, Mikhail I.

    2018-01-01

    Pulsed discharges in high-pressure gases are of considerable interest as sources of nonequilibrium plasma for various technological applications: pollution control, pumping of laser media, plasma-assisted combustion, etc. Recently, attention has been attracted to the use of subnanosecond voltage fronts, producing diffuse discharges with radii of several millimeters. Such plasma structures, similar to pulsed glow discharges, are of special interest for applications due to quasi-uniformity of plasma parameters in relatively large gas volumes. This review presents the results of experimental and computational study of subnanosecond diffuse discharge formation. A description of generators of short high-voltage pulses with subnanosecond fronts and of discharge setups is given. Diagnostic methods for the measurement of various discharge parameters with high temporal and spatial resolution are described. Obtained experimental data on plasma properties for a wide range of governing factors are discussed. A review of various theoretical approaches used for computational study of the dynamics and structure of fast ionization waves is given; the applicability of conventional fluid streamer models for simulation of subnanosecond ionization waves is discussed. Calculated spatial-temporal profiles of plasma parameters during streamer propagation are presented. The efficiency of subnanosecond discharges for the production of reactive species is evaluated. On the basis of the comparison of simulation results and experimental data the effects of various factors (voltage rise time, polarity, etc.) on discharge characteristics are revealed. The major physical phenomena governing the properties of subnanosecond breakdown are analyzed.

  14. Application of High Pressure in Food Processing

    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

  15. High-Pressure Synthesis, Structure, and Magnetic Properties of Ge-Substituted Filled Skutterudite Compounds; LnxCo4Sb12−yGey, Ln = La, Ce, Pr, and Nd

    Hiroshi Fukuoka

    2017-12-01

    Full Text Available A series of new Ge-substituted skutterudite compounds with the general composition of LnxCo4Sb12−yGey, where Ln = La, Ce, Pr, and Nd, is prepared by high-pressure and high-temperature reactions at 7 GPa and 800 °C. They have a cubic unit cell and the lattice constant for each compound is 8.9504 (3, 8.94481 (6, 8.9458 (3, and 8.9509 (4 Å for the La, Ce, Pr, and Nd derivatives, respectively. Their chemical compositions, determined by electron prove microanalysis, are La0.57Co4Sb10.1Ge2.38, Ce0.99Co4Sb9.65Ge2.51, Pr0.97Co4Sb9.52Ge2.61, and Nd0.87Co4Sb9.94Ge2.28. Their structural parameters are refined by Rietveld analysis. The guest atom size does not affect the unit cell volume. The Co–Sb/Ge distance mainly determines the unit cell size as well as the size of guest atom site. The valence state of lanthanide ions is 3+.

  16. Modeling High Pressure Micro Hollow Cathode Discharges

    Boeuf, Jean-Pierre; Pitchford, Leanne

    2004-01-01

    This report results from a contract tasking CPAT as follows: The Grantee will perform theoretical modeling of point, surface, and volume high-pressure plasmas created using Micro Hollow Cathode Discharge sources...

  17. High Pressure EVA Glove (HPEG), Phase I

    National Aeronautics and Space Administration — Final Frontier Design's (FFD) High Pressure EVA Glove (HPEG) is a game changing technology enabling future exploration class space missions. The high operating...

  18. Fuel element structure - design, production and operational behaviour

    Pott, G.; Dietz, W.

    1985-01-01

    The lectures held at the meeting of the fuel element section of the Kerntechnische Gesellschaft gives a survey of developments in fuel element structure design for PWR-type, BWR-type and fast breeder reactors. For better utilization of the fuel, concepts have been developed for re-usable, removable and thus repairable fuel elements. Furthermore, the manufacturing methods for fuel element structures were refined to achieve better quality and more efficient manufacturing methods. Statements on the dimensional behaviour and on the mechanical stability of fuel element structures in normal and accident operation could be made on the basis of post-irradiation inspections. Finally, the design, manufacture and irradiation behaviour of graphite reflectors in HTGR-type reactors are described. The 12 lectures have been recorded in the data base separately. (RF) [de

  19. Interrelationship between structure and corrosion behaviour of zirconium

    Guenther, T [Bayer A.G., Leverkusen (Germany, F.R.)

    1979-05-01

    Due to plant failures caused by the break-down of zirconium grade 702 subjected to sulphuric acid the structure and corrosion behaviour of welded and as delivered specimens were tested for various heat treatments. It was shown by structure investigations and electron microprobe analysis that the corrosion behaviour of zirconium (in boiling 65 pct sulphuric acid) is strongly infuenced by the structure, which in its turn is dependent on the grade of purity and the prehistory of the material. Type, amount, and distribution of residual elements or precipitations caused by them are responsible for the corrosion resistance. This is valid particularly for the element iron. The plant failures mentioned here coincided with the examination results. Measures to improve the chemical resistance of pure zirconium subjected to extremely aggressive media were derived.

  20. Modification of enzymes by use of high-pressure homogenization.

    Dos Santos Aguilar, Jessika Gonçalves; Cristianini, Marcelo; Sato, Helia Harumi

    2018-07-01

    High-pressure is an emerging and relatively new technology that can modify various molecules. High-pressure homogenization (HPH) has been used in several studies on protein modification, especially in enzymes used or found in food, from animal, plant or microbial resources. According to the literature, the enzymatic activity can be modulated under pressure causing inactivation, stabilization or activation of the enzymes, which, depending on the point of view could be very useful. Homogenization can generate changes in the structure of the enzyme modifying various chemical bonds (mainly weak bonds) causing different denaturation levels and, consequently, affecting the catalytic activity. This review aims to describe the various alterations due to HPH treatment in enzymes, to show the influence of high-pressure on proteins and to report the HPH effects on the enzymatic activity of different enzymes employed in the food industry and research. Copyright © 2018 Elsevier Ltd. All rights reserved.

  1. Transformations in refractory compounds, caused by high pressures and temperatures

    Zajnulin, Yu.G.; Alyamovskij, S.I.; Shvejkin, G.P.

    1979-01-01

    Considered is the effect of high pressures and temperatures on structural features of refractory carbides, nitrides and monooxides of transition metals. The results are discussed on the basis of one component of the theory on daltonides and bertollides by N.S. Kurnakov - the theory of imaginary compounds, developed by G.B. Bokij. Several new ideas, resulting from this consideration, are formulated, It is shown that at high pressures and temperatures it is possible to obtain new electron modifications of compounds and to expand sufficiently the region of the existance of variable composition phases. The concept on imaginary compounds is shown to be true. A supposition is made on realization of numerous imaginary compounds at high pressures and temperatures. Other ways of production of imaginary compounds are recommended

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

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

    2003-01-01

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

  3. High-pressure physical properties of magnesium silicate post ...

    MgSiO3) post-perovskite at high pressure are investigated with quasi-harmonic Debye model and ab initio method based on the density functional theory (DFT). The calculated structural parameters of MgSiO3 post-perovskite are consistent with the ...

  4. Investigation of Acrylic Acid at High Pressure using Neutron Diffraction

    Johnston, Blair F.; Marshall, William G.; Parsons, Simon

    2014-01-01

    This article details the exploration of perdeuterated acrylic acid at high pressure using neutron diffraction. The structural changes that occur in acrylic acid-d4 are followed via diffraction and rationalised using the Pixel method. Acrylic acid undergoes a reconstructive phase transition to a new...

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

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

    1985-01-01

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

  6. High-pressure portable pneumatic drive unit.

    Hete, B F; Savage, M; Batur, C; Smith, W A; Golding, L A; Nosé, Y

    1989-12-01

    The left ventricular assist device (LVAD) of the Cleveland Clinic Foundation (CCF) is a single-chamber assist pump, driven by a high-pressure pneumatic cylinder. A low-cost, portable driver that will allow cardiac care patients, with a high-pressure pneumatic ventricle assist, more freedom of movement has been developed. The compact and light-weight configuration can provide periods of 2 h of freedom from a fixed position driver and does not use exotic technology.

  7. High pressure effects on fruits and vegetables

    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 treatment can be used for product modification through pressure gelatinization of starch and pressure denaturation of proteins. Key pressure–thermal treatment effects on vitamin, enzymes, flavor, co...

  8. Pressure test behaviour of embalse nuclear power plant containment structure

    Bruschi, S.; Marinelli, C.

    1984-01-01

    It's described the structural behaviour of the containment structure during the pressure test of the Embalse plant (CANDU type, 600MW), made of prestressed concrete with an epoxi liner. Displacement, strain, temperature, and pressure measurements of the containment structure of the Embalse Nuclear Power Plant are presented. The instrumentation set up and measurement specifications are described for all variables of interest before, during and after the pressure test. The analytical models to simulate the heat transfer due to sun heating and air convenction and to predict the associated thermal strains and displacements are presented. (E.G.) [pt

  9. Bank Image Structure: The Relationship to Consumer Behaviour

    Lukasova Ruzena

    2014-03-01

    Full Text Available This paper presents the results of a study of the relationship between the bank image, its structure as a reflection in the minds of individuals and behavioural tendencies in relation to banks. Attitudinal scales were used to identify the contents of the particular banks’ image. The structure of the image was identified by means of factor analysis. The study found that the respondents’ behavioural tendencies, i.e. their willingness to be a client of or to recommend a particular bank, are related to different content components of particular banks and mainly to respondents’ needs. Based on the results, the study identifies the danger that the results of the bank image analysis can be misinterpreted if the respondents’ relationship to the bank is underestimated.

  10. Hydraulic behaviour of a representative structural volume for containment buildings

    Jason, Ludovic; Pijaudier-Cabot, Gilles; Ghavamian, Shahrokh; Huerta, Antonio

    2007-01-01

    For particular structures like containment buildings of nuclear power plants, the study of the hydraulic behaviour is of great concern. These structures are indeed the third barrier used to protect the environment in case of accidents. The evolution of the leaking rate through the porous medium is closely related to the changes in the permeability during the ageing process of the structure. It is thus essential to know the relation between concrete degradation and the transfer property when the consequences of a mechanical loading on the hydraulic behaviour have to be evaluated. A chained approach is designed for this purpose. The mechanical behaviour is described by an elastic plastic damage formulation, where damage is responsible for the softening evolution while plasticity accounts for the development of irreversible strains. The drying process is evaluated according to a non-linear equation of diffusion. From the knowledge of the damage and the degree of saturation, a relation is proposed to calculate the permeability of concrete. Finally, the non-homogeneous distribution of the hydraulic conductivity is included in the hydraulic problem which is in fact the association of the mass balance equation for gas phase and Darcy law. From this methodology, it is shown how an indicator for the hydraulic flows can be deduced

  11. High pressure phase transition in Pr-monopnictides

    Raypuria, Gajendra Singh, E-mail: sosfizix@gmail.com, E-mail: gsraypuria@gmail.com; Gupta, Dinesh Chandra [Condensed Matter Theory Group, School of Studies in Physics, Jiwaji University, Gwalior - 474011 (India); Department of Physics, Govt. K.R.G. P.G. Autonomous College, Gwalior - 474001 (India)

    2015-06-24

    The Praseodymium-monopnictides compounds have been found to undergo transition from their initial NaCl-type structure to high pressure body centered tetragonal (BCT) structure (distorted CsCl-type P4/mmm) using CTIP model. The calculated values of cohesive energy, lattice constant, phase transition pressure, relative volume collapse agree well with the available measured data and better than those computed by earlier workers.

  12. Phase transition of La- chalcogenides under high pressure

    Gupta, Dinesh Chandra [Condensed Matter Theory Group, School of Studies in Physics, Jiwaji University, Gwalior - 474 011 (India); Raypuria, Gajendra Singh, E-mail: gsraypuria@gmail.com [Department of Physics, Govt. K.R.G. P.G. Autonomous College, Gwalior - 474 001 (India)

    2014-04-24

    The lanthanum compounds have been found to undergo transition from their initial NaCl-type structure to high pressure body centered tetragonal (BCT) structure (distorted CsCl-type P4/mmm) using CTIP model. The calculated values of cohesive energy, lattice constant, phase transition pressure, relative volume collapse agree well with the available measured data and better than those computed by earlier workers.

  13. Seismic Behaviour of Masonry Vault-Slab Structures

    Chesi, Claudio; Butti, Ferdinando; Ferrari, Marco

    2008-01-01

    Spandrel walls typically play a structural role in masonry buildings, transferring load from a slab to the supporting vault. Some indications are given in the literature on the behaviour of spandrels under the effect of vertical loads, but little attention is given to the effect coming from lateral forces acting on the building. An opportunity to investigate this problem has come from the need of analyzing a monumental building which was damaged by the Nov. 24, 2004 Val Sabbia earthquake in the north of Italy. The finite element model set up for the analysis of the vault-spandrel-slab system is presented and the structural role resulting for the spandrels is discussed

  14. Phase transformations in chalkogenides of germanium subgroup elements and in alloys on their base at high pressures

    Skums, V.F.; Skoropanov, A.S.; Vecher, A.A.

    1990-01-01

    An attempt was made to systematize and analyze the available data on behaviour of chalkogenides of germanium subgroup elements and their alloys at high pressures, as applied to the problem of their use as reference materials for pressure determination. It is shown that phase transformations, accompanied by sharp change of electric resistance, are observed in chalkogenides of cubic and rhombohedral structures (lead, tin (SnTe) and germanium (GeTe)) under the effect of high pressures. It was established that electric resistance in the region of phase transformation (electric signal) depended on the type and concentration of current carriers: electric sigual grew with decrease of current carrier concentration; substances with p-type of conductivity were characterized by lower electric signal, as compared to substances with n-conductivety

  15. On high-pressure melting of tantalum

    Luo, Sheng-Nian; Swift, Damian C.

    2007-01-01

    The issues related to high-pressure melting of Ta are discussed within the context of diamond-anvil cell (DAC) and shock wave experiments, theoretical calculations and common melting models. The discrepancies between the extrapolations of the DAC melting curve and the melting point inferred from shock wave experiments, cannot be reconciled either by superheating or solid-solid phase transition. The failure to reproduce low-pressure DAC melting curve by melting models such as dislocation-mediated melting and the Lindemann law, and molecular dynamics and quantum mechanics-based calculations, undermines their predictions at moderate and high pressures. Despite claims to the contrary, the melting curve of Ta (as well as Mo and W) remains inconclusive at high pressures.

  16. Structural and magnetic phase transitions in Pr.sub.0.15./sub.Sr.sub.0.85./sub.MnO.sub.3./sub. at high pressure

    Kozlenko, D. P.; Dang, N.T.; Jirák, Zdeněk; Kichanov, S.E.; Lukin, E.V.; Savenko, B. N.; Dubrovinsky, L.S.; Lathe, C.; Martin, C.

    2010-01-01

    Roč. 77, č. 3 (2010), s. 407-411 ISSN 1434-6028 Institutional research plan: CEZ:AV0Z10100521 Keywords : high pressure * magnetic phase transitions Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.575, year: 2010

  17. Study of magnetic, structural and magnetocaloric properties of La.sub.0.6./sub.Pr.sub.0.4./sub.Mn.sub.2./sub.Si.sub.2./sub. under high pressures and magnetic field

    Kaštil, Jiří; Arnold, Zdeněk; Isnard, O.; Skourski, Y.; Kamarád, Jiří; Itié, J.P.

    2017-01-01

    Roč. 424, Feb (2017), s. 416-420 ISSN 0304-8853 R&D Projects: GA ČR GA15-03777S Institutional support: RVO:68378271 Keywords : magnetization * compressibility * magnetocaloric effect * high pressure Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 2.630, year: 2016

  18. Cobalt ferrite nanoparticles under high pressure

    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.

  19. High pressure freon decontamination of remote equipment

    Wilson, C.E.

    1987-01-01

    A series of decontamination tests using high pressure FREON 113 was conducted in the 200 Area of the Hanford site. The intent of these tests was to evaluate the effectiveness of FREON 113 in decontamination of manipulator components, tools, and equipment items contaminated with mixed fission products. The test results indicated that high pressure FREON 113 is very effective in removing fissile material from a variety of objects and can reduce both the quantity and the volume of the radioactive waste material presently being buried

  20. Techniques in high pressure neutron scattering

    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

  1. High pressure water jet cutting and stripping

    Hoppe, David T.; Babai, Majid K.

    1991-01-01

    High pressure water cutting techniques have a wide range of applications to the American space effort. Hydroblasting techniques are commonly used during the refurbishment of the reusable solid rocket motors. The process can be controlled to strip a thermal protective ablator without incurring any damage to the painted surface underneath by using a variation of possible parameters. Hydroblasting is a technique which is easily automated. Automation removes personnel from the hostile environment of the high pressure water. Computer controlled robots can perform the same task in a fraction of the time that would be required by manual operation.

  2. High pressure water jet mining machine

    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.

  3. High-Pressure Phase Relations and Crystal Structures of Postspinel Phases in MgV2O4, FeV2O4, and MnCr2O4: Crystal Chemistry of AB2O4 Postspinel Compounds.

    Ishii, Takayuki; Sakai, Tsubasa; Kojitani, Hiroshi; Mori, Daisuke; Inaguma, Yoshiyuki; Matsushita, Yoshitaka; Yamaura, Kazunari; Akaogi, Masaki

    2018-06-04

    We have investigated high-pressure, high-temperature phase transitions of spinel (Sp)-type MgV 2 O 4 , FeV 2 O 4 , and MnCr 2 O 4 . At 1200-1800 °C, MgV 2 O 4 Sp decomposes at 4-7 GPa into a phase assemblage of MgO periclase + corundum (Cor)-type V 2 O 3 , and they react at 10-15 GPa to form a phase with a calcium titanite (CT)-type structure. FeV 2 O 4 Sp transforms to CT-type FeV 2 O 4 at 12 GPa via decomposition phases of FeO wüstite + Cor-type V 2 O 3 . MnCr 2 O 4 Sp directly transforms to the calcium ferrite (CF)-structured phase at 10 GPa and 1000-1400 °C. Rietveld refinements of CT-type MgV 2 O 4 and FeV 2 O 4 and CF-type MnCr 2 O 4 confirm that both the CT- and CF-type structures have frameworks formed by double chains of edge-shared B 3+ O 6 octahedra (B 3+ = V 3+ and Cr 3+ ) running parallel to one of orthorhombic cell axes. A relatively large A 2+ cation (A 2+ = Mg 2+ , Fe 2+ , and Mn 2+ ) occupies a tunnel-shaped space formed by corner-sharing of four double chains. Effective coordination numbers calculated from eight neighboring oxygen-A 2+ cation distances of CT-type MgV 2 O 4 and FeV 2 O 4 and CF-type MnCr 2 O 4 are 5.50, 5.16, and 7.52, respectively. This implies that the CT- and CF-type structures practically have trigonal prism (six-coordinated) and bicapped trigonal prism (eight-coordinated) sites for the A 2+ cations, respectively. A relationship between cation sizes of VIII A 2+ and VI B 3+ and crystal structures (CF- and CT-types) of A 2+ B 2 3+ O 4 is discussed using the above new data and available previous data of the postspinel phases. We found that CF-type A 2+ B 2 3+ O 4 crystallize in wide ionic radius ranges of 0.9-1.4 Å for VIII A 2+ and 0.55-1.1 Å for VI B 3+ , whereas CT-type phases crystallize in very narrow ionic radius ranges of ∼0.9 Å for VIII A 2+ and 0.6-0.65 Å for VI B 3+ . This would be attributed to the fact that the tunnel space of CT-type structure is geometrically less flexible due to the smaller coordination

  4. Discrete element modeling of cemented sand and particle crushing at high pressures

    de Bono, John Patrick

    2013-01-01

    This project aims to provide an insight into the behaviour of cemented sand under high pressures, and to further the understanding of the role of particle crushing. The discrete element method is used to investigate the micro mechanics of sand and cemented sand in high-pressure triaxial tests and one-dimensional normal compression. Using the software PFC3D, a new triaxial model has been developed, which features an effective flexible membrane that allows free deformation of the specimen ...

  5. Structural Behaviour of Strengthened Composite Materials. Experimental Studies

    Vlad Munteanu

    2007-01-01

    Full Text Available Masonry represents one of the earliest structural materials used by mankind. A lot of the ancient building structures were made using masonry. A large number of these buildings have been stated historical monuments. Most commonly masonry elements which are able to cover large spans was masonry arches. The paper makes a detailed presentation on structural behaviour and failure mechanisms of a horizontally loaded masonry arch. The arch model was built at a 1 : 1 scale using solid bricks and M10Z mortar. It was firstly loaded with vertically acting dead loads and with horizontal load acting in its plane. In this loading hypothesis, a plastic hinge occurred leading to the failure of the arch and loss of load bearing capacity. In the next stage of the experimental program, the arch was strengthened using a composite material membrane at the upper face. The membrane consisted in a continuous, glass-fiber fabric and epoxy resin. After proper curing, the same loading hypothesis was used. The failure mechanisms changed and a larger horizontal loading level was noticed. Further on, the arch was rehabilitated using a different composite material layout, the membrane was applied both on upper and bottom faces as well as partially on the lateral faces of the arch. This new rehabilitation layout leads to a significant increase in the load bearing capacity of the arch. The failure mechanisms were changed causing a significantly better overall structural behaviour of the arch.

  6. High Pressure Inactivation of HAV within Mussels

    The potential of hepatitis A virus (HAV) to be inactivated within Mediterranean mussels (Mytilus galloprovincialis) and blue mussels (Mytilus edulis) by high pressure processing was evaluated. HAV was bioaccumulated within mussels to approximately 6-log10 PFU by exposure of mussels to HAV-contamina...

  7. Nucleation at high pressure I: Theoretical considerations.

    Luijten, C.C.M.; Dongen, van M.E.H.

    1999-01-01

    A theoretical approach is presented that accounts for the influence of high pressure background gases on the vapor-to-liquid nucleation process. The key idea is to treat the carrier gas pressure as a perturbation parameter that modifies the properties of the nucleating substance. Two important

  8. High pressure metrology for industrial applications

    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.

  9. High-pressure differential scanning microcalorimeter.

    Senin, A A; Dzhavadov, L N; Potekhin, S A

    2016-03-01

    A differential scanning microcalorimeter for studying thermotropic conformational transitions of biopolymers at high pressure has been designed. The calorimeter allows taking measurements of partial heat capacity of biopolymer solutions vs. temperature at pressures up to 3000 atm. The principles of operation of the device, methods of its calibration, as well as possible applications are discussed.

  10. High-pressure oxidation of methane

    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

  11. Study of ceramics sintering under high pressures

    Kunrath Neto, A.O.

    1990-01-01

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

  12. High Pressure Physics at Brigham Young University

    Decker, Daniel

    2000-09-01

    I will discuss the high pressure research of Drs. J. Dean Barnett, Daniel L. Decker and Howard B. Vanfleet of the department of Physics and Astronomy at Brigham Young University and their many graduate students. I will begin by giving a brief history of the beginning of high pressure research at Brigham Young University when H. Tracy Hall came to the University from General Elecrtric Labs. and then follow the work as it progressed from high pressure x-ray diffraction experiments, melting curve measurements under pressure to pressure effects on tracer diffusion and Mossbauer effect spectra. This will be followed by showing the development of pressure calibration techniques from the Decker equation of state of NaCl to the ruby fluorescence spectroscopy and a short discussion of using a liquid cell for hydrostatic measurements and temperature control for precision high pressure measurements. Then I will conclude with a description of thermoelectric measuremnts, critical phenomena at the magnetic Curie point, and the tricritical point of BaTiO_3.

  13. Analysis of high-pressure safety valves

    Beune, A.

    2009-01-01

    In presently used safety valve sizing standards the gas discharge capacity is based on a nozzle flow derived from ideal gas theory. At high pressures or low temperatures real gas effects can no longer be neglected, so the discharge coefficient corrected for flow losses cannot be assumed constant

  14. High pressure studies of planetary matter

    Ross, M.

    1989-06-01

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

  15. Structure and Degradation Behaviour of Calcium Phosphate Glasses

    Silva, A M B; Correia, R N; Fernandes, M H V; Oliveira, J M M

    2011-01-01

    Some studies have shown a relationship between glass structure and in vitro mineralization, generally associated with the rate of glass degradation, nature of released ions and subsequent Ca-P precipitation on glass surfaces when immersed in a Simulated Body Fluid (SBF). The knowledge of the ionic species distribution in glasses and of the involved bond strengths can be used to assess the in vitro behaviour of a glass. The role of ions such as silicon or titanium is of major importance for the development of new compositions and also for the control of glass degradation behaviour. A comparative study with two calcium phosphate glasses series was performed: Both glasses series - one with Si and another with Ti - include P 2 O 5 and alkaline earth ions in their compositions. Surface reactivity of glasses from the SiO 2 -containing system have been studied in SBF showing the precipitation of a Ca-P surface layer that increases with increasing MgO/CaO ratio. In glasses from the TiO 2 -containing series it is shown that the increase of TiO 2 contributes for the stabilization of the glass network thus allowing the control of their degradation rate when immersed in SBF. The relationship between structural features of these calcium-phosphate glasses and their degradation behaviour in SBF is discussed in terms of the structural role of Si and Ti ions. It is concluded that glasses with less interconnected species favour the Ca-P surface precipitation. The understanding of this relationship in synthetic physiological fluids is expected to allow the tailoring of glass degradation rates in complex biological systems.

  16. Tests and calculation of the seismic behaviour of concrete structures

    Gauvain, J.; Hoffman, A.; Jeandidier, C.; Livolant, M.

    1979-01-01

    This paper deals with the frame type buildings, which are generally the most sensible to earthquakes. Its objectives are to describe the main phenomena governing the behaviour of such structures, when the earthquake level increases up to the structure collapse, to point out what type of calculation model shall be used to obtain good results and to give an estimation of the safety factors corresponding to the usual design practice. Extended experimental research on the behaviour of reinforced concrete beams and frames submitted to monotonic or cyclic loading has been done. These tests are very useful to build constitutive laws models, but as they do not reproduce the earthquake loads, they do not simulate directly what happens to the structure during an earthquake. For that reason, since 1966, dynamics tests were performed using vibration generators or shaking-tables. As an example of that type of test and of the corresponding results, we describe here with more details the tests made at the Saclay Center, on a shaking-table called VESUVE, on simple beams and frames

  17. Is high-pressure water the cradle of life?

    Bassez, Marie-Paule

    2003-01-01

    Several theories have been proposed for the synthesis of prebiotic molecules. This letter shows that the structure of supercritical water, or high-pressure water, could trigger prebiotic synthesis and the origin of life deep in the oceans, in hydrothermal vent systems. Dimer geometries of high-pressure water may have a point of symmetry and a zero dipole moment. Consequently, simple apolar molecules found in submarine hydrothermal vent systems will dissolve in the apolar environment provided by the apolar form of the water dimer. Apolar water could be the medium which helps precursor molecules to concentrate and react more efficiently. The formation of prebiotic molecules could thus be linked to the structure of the water inside chimney nanochannels and cavities where hydrothermal piezochemistry and shock wave chemistry could occur. (letter to the editor)

  18. Phosphorus Dimerization in Gallium Phosphide at High Pressure

    Lavina, Barbara [High Pressure Science and Engineering Center, University of Nevada, Las Vegas, Nevada 89154, United States; Department of Physics and Astronomy, University of Nevada, Las Vegas, Nevada 89154, United States; Kim, Eunja [Department of Physics and Astronomy, University of Nevada, Las Vegas, Nevada 89154, United States; Cynn, Hyunchae [Lawrence Livermore National Laboratory, Livermore, California 94550, United States; Weck, Philippe F. [Sandia National Laboratories, Albuquerque, New Mexico 87185, United States; Seaborg, Kelly [High Pressure Science and Engineering Center, University of Nevada, Las Vegas, Nevada 89154, United States; Department of Physics and Astronomy, University of Nevada, Las Vegas, Nevada 89154, United States; Siska, Emily [High Pressure Science and Engineering Center, University of Nevada, Las Vegas, Nevada 89154, United States; Meng, Yue [HPCAT, Carnegie Institution of Washington, Argonne, Illinois 60439, United States; Evans, William [Lawrence Livermore National Laboratory, Livermore, California 94550, United States

    2018-02-09

    Using combined experimental and computational approaches, we show that at 43 GPa and 1300 K gallium phosphide adopts the super-Cmcm structure, here indicated with its Pearson notation oS24. First-principles enthalpy calculations demonstrate that this structure is more thermodynamically stable above ~20 GPa than previously proposed polymorphs. Here, in contrast to other polymorphs, the oS24 phase shows a strong bonding differentiation and distorted fivefold coordination geometries of both P atoms. The shortest bond of the phase is a single covalent P–P bond measuring 2.171(11) Å at synthesis pressure. Phosphorus dimerization in GaP sheds light on the nature of the super-Cmcm phase and provides critical new insights into the high-pressure polymorphism of octet semiconductors. Bond directionality and anisotropy explain the relatively low symmetry of this high-pressure phase.

  19. Structural and mechanical behaviour of LLDPE/HNT nanocomposite films

    Čermák, M.; Kadlec, P. [Department of Technologies and Measurement, Faculty of Electrical Engineering University of West Bohemia, Univerzitni 8, Pilsen 306 14 (Czech Republic); Šutta, P. [New Technologies - Research Centre University of West Bohemia, Univerzitni 8, Pilsen 306 14 (Czech Republic); Polanský, R. [Regional Innovative Centre for Electrical Engineering University of West Bohemia, Univerzitni 8, Pilsen 306 14 (Czech Republic)

    2016-03-09

    The paper briefly describes structural and mechanical influences of Halloysite nanotubes (HNT) in different level of fulfilment (0, 1, 3, 7 wt%) in the LLDPE commonly used in the cable industry. The influence of HNT on the polymer has been observed and evaluated through the average crystallite size and the micro- deformation by X-Ray diffractometry and the imaging of SEM. Despite the certain inter-phase tension between the polymer and HNT, the influence on the mechanical and combustion behaviour was observed. Measurement showed a higher content of agglomerates in the sample with 7 wt% HNT fulfilment.

  20. Mechanical behaviour of cracked welded structures including mismatch effect

    Hornet, P.

    2002-01-01

    The most important parameters for predicting more precisely the fracture behaviour of welded structures have been identified. In particular, the plasticity development at the crack tip in the ligament appeared as a major parameter to evaluate the yield load of such a complex structure. In this way defect assessments procedures have been developed or modified to take into account the mismatch effect that is to say the mechanical properties of the different material constituting the weld joint. This paper is a synthesis of the work done in the past at Electricite de France on this topic in regards with other work done in France or around the World. The most important parameters which control the plasticity development at the crack tip and so mainly influence the fracture behaviour of welded structures are underlined: the mismatch ratio (weld to base metal yield strength ratio), the mismatch ratio (weld to base metal yield strength ratio), the ligament size and the weld width. Moreover, commonly used fracture toughness testing procedures developed in case of homogeneous specimens cannot be used in a straight forward manner and so has to be modified to take into account the mismatch effect. Number or defect assessment procedures taking into account the mismatch effect by considering the yield load of the welded structure are shortly described. Then, the 'Equivalent Material Method' developed at EDF which allows a good prediction of the applied J-Integral at the crack tip is more detailed. This procedure includes not only both weld and base metal yield strength, the structure geometry, the crack size and the weld dimension using the yield load of the real structures but also includes the effect of both weld and base metal strain hardening exponents. Some validations of this method are proposed. Finally, the ability of finite element modelling to predict the behaviour of such welded structures is demonstrated by modelling real experiments: crack located in the middle of

  1. High-pressure behavior of methylammonium lead iodide (MAPbI_3) hybrid perovskite

    Capitani, Francesco; Marini, Carlo; Caramazza, Simone; Postorino, Paolo; Garbarino, Gaston; Hanfland, Michael; Pisanu, Ambra; Quadrelli, Paolo; Malavasi, Lorenzo

    2016-01-01

    In this paper we provide an accurate high-pressure structural and optical study of the MAPbI_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.

  2. High-pressure behavior of methylammonium lead iodide (MAPbI3) hybrid perovskite

    Capitani, Francesco; Marini, Carlo; Caramazza, Simone; Postorino, Paolo; Garbarino, Gaston; Hanfland, Michael; Pisanu, Ambra; Quadrelli, Paolo; Malavasi, Lorenzo

    2016-05-01

    In this paper we provide an accurate high-pressure structural and optical study of the MAPbI3 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.

  3. Effects of high pressure on the structural, magnetic, and transport properties of the itinerant 5f ferromagnet U.sub.2./sub.Fe.sub.3./sub.Ge

    Henriques, M.S.; Gorbunov, Denis; Andreev, Alexander V.; Arnold, Zdeněk; Surblé, S.; Heathman, S.; Griveau, J.C.; Lopes, E.B.; Prchal, J.; Havela, L.; Gonçalves, A.P.

    2014-01-01

    Roč. 89, č. 5 (2014), "054407-1"-"054407-9" ISSN 1098-0121 R&D Projects: GA ČR GAP204/12/0150; GA ČR(CZ) GAP204/10/0330 Grant - others:AVČR(CZ) M100101203 Institutional support: RVO:68378271 Keywords : actinide intermetallics * ferromagnetism * magnetoelasticity * high pressure Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.736, year: 2014

  4. Magnetic and Superconducting Materials at High Pressures

    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

  5. High pressure phase transition and anharmonic properties of Zn1-xMxSe (M=Cd, Fe and Mn) diluted magnetic semiconductor

    Talati, Mina; Shinde, Satyam; Jha, Prafulla K.

    2004-01-01

    The present work employs interionic potential approach based on charge transfer effect to calculate and describe the high pressure phase transition and elastic behaviour of the diluted magnetic semiconductors Zn 1-x M x Se (M=Cd, Fe and Mn). We have obtained a reasonably good agreement between present calculated values and experimentally observed data on the phase transition pressures. The volume collapses and high pressure behaviours are also in reasonably good agreement with the available data for all compounds under consideration. The variations of elastic constants and their combinations with pressure follow a systematic trend, identical to that observed in other compounds of zinc blende structure family. The present approach has also succeeded in predicting the Born and relative stability criteria

  6. Structure, stability and behaviour of nucleic acids in ionic liquids

    Tateishi-Karimata, Hisae; Sugimoto, Naoki

    2014-01-01

    Nucleic acids have become a powerful tool in nanotechnology because of their conformational polymorphism. However, lack of a medium in which nucleic acid structures exhibit long-term stability has been a bottleneck. Ionic liquids (ILs) are potential solvents in the nanotechnology field. Hydrated ILs, such as choline dihydrogen phosphate (choline dhp) and deep eutectic solvent (DES) prepared from choline chloride and urea, are ‘green’ solvents that ensure long-term stability of biomolecules. An understanding of the behaviour of nucleic acids in hydrated ILs is necessary for developing DNA materials. We here review current knowledge about the structures and stabilities of nucleic acids in choline dhp and DES. Interestingly, in choline dhp, A–T base pairs are more stable than G–C base pairs, the reverse of the situation in buffered NaCl solution. Moreover, DNA triplex formation is markedly stabilized in hydrated ILs compared with aqueous solution. In choline dhp, the stability of Hoogsteen base pairs is comparable to that of Watson–Crick base pairs. Moreover, the parallel form of the G-quadruplex is stabilized in DES compared with aqueous solution. The behaviours of various DNA molecules in ILs detailed here should be useful for designing oligonucleotides for the development of nanomaterials and nanodevices. PMID:25013178

  7. Inspection technology for high pressure pipes

    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)

  8. Radioresistance increase in polymers at high pressures

    Milinchuk, V.; Kirjukhin, V.; Klinshpont, E.

    1977-01-01

    The effect was studied of very high pressures ranging within 100 and 2,700 MPa on the radioresistance of polytetrafluoroethylene, polypropylene and polyethylene in gamma irradiation. For experiments industrial polymers in the shape of blocks, films and fibres were used. It is shown that in easily breakable polymers, such as polytetrafluoroethylene and polypropylene 1.3 to 2 times less free radicals are formed as a result of gamma irradiation and a pressure of 150 MPa than at normal pressure. The considerably reduced radiation-chemical formation of radicals and the destruction suppression by cross-linking in polymers is the evidence of the polymer radioresistance in irradiation at high pressures. (J.B.)

  9. High-pressure oxidation of methane

    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...

  10. Foaming Glass Using High Pressure Sintering

    Østergaard, Martin Bonderup; Petersen, Rasmus Rosenlund; König, Jakob

    Foam glass is a high added value product which contributes to waste recycling and energy efficiency through heat insulation. The foaming can be initiated by a chemical or physical process. Chemical foaming with aid of a foaming agent is the dominant industrial process. Physical foaming has two...... to expand. After heat-treatment foam glass can be obtained with porosities of 80–90 %. In this study we conduct physical foaming of cathode ray tube (CRT) panel glass by sintering under high pressure (5-25 MPa) using helium, nitrogen, or argon at 640 °C (~108 Pa s). Reheating a sample in a heating...... variations. One way is by saturation of glass melts with gas. The other involves sintering of powdered glass under a high gas pressure resulting in glass pellets with high pressure bubbles entrapped. Reheating the glass pellets above the glass transition temperature under ambient pressure allows the bubbles...

  11. High pressure injection injuries: an overview.

    Fialkov, J A; Freiberg, A

    1991-01-01

    Injuries resulting from the use of high pressure injectors and spray guns are relatively rare; however, the potential tissue damage caused by the injury as well as the extent of the injury itself may go unrecognized by the primary physician. The purpose of this paper is to inform the emergency physician of the nature and standard management of this type of injury. A basic understanding of the pathophysiology of the high pressure injection injury (HPII) is essential in avoiding the mistakes in management that have been reported in the literature. The emergency management of the HPII includes: evaluation and immobilization, tetanus and antimicrobial prophylaxis, supportive and resuscitative measures, analgesia, and minimizing the time to definitive surgical treatment.

  12. Stress concentration effects in high pressure components

    Aller, J.E.

    1990-01-01

    This paper examines the stress concentration effects of sideholes in thick walled, high pressure cylinders. It has been shown that the theoretical stress concentration factor at the intersection of a small crossbore in a closed end, thick walled cylinder varies between 3.0 and 4.0. Tests have shown that this effect can be greatly reduced in practice by carefully radiusing the bore intersection and autofrettaging the cylinder. It has also been shown that the minimum stress concentration factor occurs when the main bore and sidehole or crossbore have the same diameter, and the radius of the intersection is approximately equal to the sidehole radius. When the bore and sidehole intersection angle decreases from 90 degrees, the stress concentration factor increases significantly. Knowledge of these fundamental relationships can be used in maintaining, as well ad designing, high pressure equipment

  13. Hydrogen - High pressure production and storage

    Lauretta, J.R

    2005-01-01

    The development of simple, safe and more and more efficient technologies for the production and the storage of hydrogen is necessary condition for the transition towards the economy of hydrogen.In this work the hydrogen production studies experimentally to high pressure by electrolysis of alkaline solutions without the intervention of compressing systems and its direct storage in safe containers.The made tests show that the process of electrolysis to high pressure is feasible and has better yield than to low pressure, and that is possible to solve the operation problems, with relatively simple technology.The preliminary studies and tests indicate that the system container that studied is immune to the outbreak and can have forms and very different sizes, nevertheless, to reach or to surpass the efficiency of storage of the conventional systems the investments necessary will be due to make to be able to produce aluminum alloy tubes of high resistance

  14. High Pressure Multicomponent Adsorption in Porous Media

    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 fi...... 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....

  15. High-pressure mechanical instability in rocks.

    Byerlee, J D; Brace, W F

    1969-05-09

    At a confining pressure of a few kilobars, deformation of many sedimentary rocks, altered mafic rocks, porous volcanic rocks, and sand is ductile, in that instabilities leading to audible elastic shocks are absent. At pressures of 7 to 10 kilobars, however, unstable faulting and stick-slip in certain of these rocks was observed. This high pressure-low temperature instability might be responsible for earthquakes in deeply buried sedimentary or volcanic sequences.

  16. observed by high pressure NMR and NQR

    Akogun, Hyogo 678-1297, Japan. ∗. Email: kohara@sci.himeji tech.ac.jp. Abstract. NMR and NQR studies on two interesting systems (URu2Si2, CeTIn5) were performed under high pressure. (1) URu2Si2: In the pressure range 3.0 to 8.3 kbar, we have observed new 29Si. NMR signals arising from the antiferromagnetic ...

  17. Path Dependency of High Pressure Phase Transformations

    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.

  18. High pressure synthesis of amorphous TiO2 nanotubes

    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.

  19. High-pressure Raman investigation of the semiconductor antimony oxide

    Geng, Aihui; Cao, Lihua [State Key Lab on High Power Semiconductor Laser, Changchun University of Science and Technology, 130022 Changchun (China); Changchun Institute of Optics, Fine Mechanics and Physics, Chinese Academy of Sciences, 130012 Changchun (China); Wan, Chunming [State Key Lab on High Power Semiconductor Laser, Changchun University of Science and Technology, 130022 Changchun (China); Ma, Yanmei [Department of Agronomy, Jilin University, 130062 Changchun (China)

    2011-05-15

    The in situ high-pressure behavior of the semiconductor antimony trioxide (Sb{sub 2}O{sub 3}) has been investigated by Raman spectroscopy techniques in a diamond anvil cell up to 20 GPa at room temperature. New peaks in the external lattice mode range emerged at a pressure above 8.6-15 GPa, suggesting that the structural phase transition occurred. The pressure dependence of Raman frequencies was obtained. The band at 139 cm{sup -1} (assigned to group mode) has a pressure dependence of -0.475 cm{sup -1}/GPa and reveals significant softening at high pressure. (copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  20. Energy Systems High-Pressure Test Laboratory | Energy Systems Integration

    Facility | NREL Energy Systems High-Pressure Test Laboratory Energy Systems High-Pressure Test Laboratory In the Energy Systems Integration Facility's High-Pressure Test Laboratory, researchers can safely test high-pressure hydrogen components. Photo of researchers running an experiment with a hydrogen fuel

  1. 7 CFR 58.219 - High pressure pumps and lines.

    2010-01-01

    ... 7 Agriculture 3 2010-01-01 2010-01-01 false High pressure pumps and lines. 58.219 Section 58.219....219 High pressure pumps and lines. High pressure lines may be cleaned-in-place and shall be of such construction that dead ends, valves and the high pressure pumps can be disassembled for hand cleaning. The high...

  2. Effect of High-Pressure Treatment on Catalytic and Physicochemical Properties of Pepsin.

    Wang, Jianan; Bai, Tenghui; Ma, Yaping; Ma, Hanjun

    2017-10-11

    For a long time, high-pressure treatment has been used to destroy the compact structures of natural proteins in order to promote subsequent enzymatic hydrolysis. However, there are few reports evaluating the feasibility of directly improving the catalytic capability of proteases by using high-pressure treatments. In this study, the effects of high-pressure treatment on the catalytic capacity and structure of pepsin were investigated, and the relationship between its catalytic properties and changes in its physicochemical properties was explored. It was found that high-pressure treatment could lead to changes of the sulfhydryl group/disulfide bond content, hydrophobicity, hydrodynamic radius, intrinsic viscosity, and subunit composition of pepsin, and the conformational change of pepsin resulted in improvement to its enzymatic activity and hydrolysis efficiency, which had an obvious relationship with the high-pressure treatment conditions.

  3. High pressure study of high-temperature superconductors

    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

  4. High pressure study of high-temperature superconductors

    Souliou, Sofia-Michaela

    2014-01-01

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

  5. First-principles calculations of a high-pressure synthesized compound PtC

    Li Linyan; Yu Wen; Jin Changqing

    2005-01-01

    The first-principles density-functional method is used to study the recently high-pressure synthesized compound PtC. It is confirmed by our calculations that platinum carbide has a zinc-blende ground-state phase at zero pressure and that the rock-salt structure is a high-pressure phase. The theoretical transition pressure from zinc-blende to rock-salt structure is determined to be 52 GPa. Furthermore, our calculation shows the possibility that the PtC experimentally synthesized under high pressure conditions might undergo a transition from rock-salt to zinc-blende structure after a pressure quench to ambient conditions

  6. The structure and behaviour of some Danish food companies

    Madsen, Tage Koed

    Executive summary 1. The paper examines the structure and behaviour of 33 food companies which were identified in a database including 505 companies from different industries. The food companies are compared with all firms in the database. Furthermore, they are split into various categories...... and then compared. High-profit firms are compared with low-profit ones, exporters with non-exporters, and market expanders with market penetrators. 2. In comparison with firms from other industries, food companies seem to be more focused and to penetrate markets/exploit market opportunities in a more concentrated...... way. Their number of export markets are smaller and they involve themselves more in sales and marketing activities. One reason for this might be t food products are highly influenced by cultural differences; therefore it may be necessary for food companies to 'get into contact' with the foreign market...

  7. High pressure synthesis of BiS2

    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...... the physical properties since the related compound Bi2S3 is known to be a thermoelectric material.5 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...

  8. High pressure synthesis of zeolite/polymer nanocomposites

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

    2016-07-01

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

  9. High-pressure behavior of CaMo O4

    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.

  10. Effect of High Pressure and Heat on Bacterial Toxins

    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.

  11. HIGH PRESSURE COAL COMBUSTON KINETICS PROJECT

    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

  12. High-pressure oxidation of ethane

    Hashemi, Hamid; G. Jacobsen, Jon; Rasmussen, Christian T.

    2017-01-01

    Ethane oxidation at intermediate temperatures and high pressures has been investigated in both a laminar flow reactor and a rapid compression machine (RCM). The flow-reactor measurements at 600–900 K and 20–100 bar showed an onset temperature for oxidation of ethane between 700 and 825 K, depending...... on pressure, stoichiometry, and residence time. Measured ignition delay times in the RCM at pressures of 10–80 bar and temperatures of 900–1025 K decreased with increasing pressure and/or temperature. A detailed chemical kinetic model was developed with particular attention to the peroxide chemistry. Rate...

  13. Experimental evaluation of the structural behaviour of adobe masonry structural elements

    Varum, H.; Costa, A.; Pereira, H.; Almeida, J.; Rodrigues, H.; Silveira, D.

    2007-01-01

    Rehabilitation and strengthening of existing adobe masonry constructions have been neglected during the last decades. In Aveiro, Portugal, many adobe buildings present an important level of structural damage and, in many cases, are even near to ruin, having the majority a high vulnerability to seismic actions. To face the lack of information concerning the mechanical properties and structural behaviour of adobe elements, it was developed an experimental campaign. The composition and mechanica...

  14. Superconductivity in the unconventional high pressure phase bismuth-III

    Semeniuk, Konstantin; Brown, Philip; Vasiljkovic, Aleksandar; Grosche, Malte [University of Cambridge (United Kingdom)

    2015-07-01

    One of the most surprising developments in high pressure research was the realisation that many elements assume very unexpected high pressure structures, described in terms of extremely large or even infinite unit cells. Elemental bismuth, which has been known to undergo a series of pressure induced structural transitions between 25 kbar and 80 kbar, is an interesting example: the intermediate pressure Bi-III phase has a complex 'host-guest' structure consisting of two incommensurate sublattices. Since the unit cell is infinitely large, the description of electronic and lattice excitations is problematic. Apart from its metallic character and the observation of superconductivity at low temperature, little is known about the electronic structure in this phase. We investigate the electrical resistivity within the metallic Bi-III phase under high hydrostatic pressure and in applied magnetic field using a piston cylinder cell. Superconductivity is observed below 7.1 K, and we extract the temperature dependence of the upper critical field, which exceeds 2 T at low temperature. The normal state resistivity exhibits an approximately linear temperature dependence. This could be attributed to strong scattering from low-lying excitations, as caused by an unusually soft phonon spectrum. The results suggest that strong coupling superconductivity arises within the host-guest structure of Bi-III out of an unusual electronic state.

  15. Strain engineered pyrochlore at high pressure

    Rittman, Dylan R.; Turner, Katlyn M.; Park, Sulgiye; Fuentes, Antonio F.; Park, Changyong; Ewing, Rodney C.; Mao, Wendy L.

    2017-05-22

    Strain engineering is a promising method for next-generation materials processing techniques. Here, we use mechanical milling and annealing followed by compression in diamond anvil cell to tailor the intrinsic and extrinsic strain in pyrochlore, Dy2Ti2O7 and Dy2Zr2O7. Raman spectroscopy, X-ray pair distribution function analysis, and X-ray diffraction were used to characterize atomic order over short-, medium-, and long-range spatial scales, respectively, under ambient conditions. Raman spectroscopy and X-ray diffraction were further employed to interrogate the material in situ at high pressure. High-pressure behavior is found to depend on the species and concentration of defects in the sample at ambient conditions. Overall, we show that defects can be engineered to lower the phase transformation onset pressure by ~50% in the ordered pyrochlore Dy2Zr2O7, and lower the phase transformation completion pressure by ~20% in the disordered pyrochlore Dy2Zr2O7. These improvements are achieved without significantly sacrificing mechanical integrity, as characterized by bulk modulus.

  16. Sounding experiments of high pressure gas discharge

    Biele, Joachim K.

    1998-01-01

    A high pressure discharge experiment (200 MPa, 5·10 21 molecules/cm 3 , 3000 K) has been set up to study electrically induced shock waves. The apparatus consists of the combustion chamber (4.2 cm 3 ) to produce high pressure gas by burning solid propellant grains to fill the electrical pump chamber (2.5 cm 3 ) containing an insulated coaxial electrode. Electrical pump energy up to 7.8 kJ at 10 kV, which is roughly three times of the gas energy in the pump chamber, was delivered by a capacitor bank. From the current-voltage relationship the discharge develops at rapidly decreasing voltage. Pressure at the combustion chamber indicating significant underpressure as well as overpressure peaks is followed by an increase of static pressure level. These data are not yet completely understood. However, Lorentz forces are believed to generate pinching with subsequent pinch heating, resulting in fast pressure variations to be propagated as rarefaction and shock waves, respectively. Utilizing pure axisymmetric electrode initiation rather than often used exploding wire technology in the pump chamber, repeatable experiments were achieved

  17. The effect of high pressure on the luminescent properties of coumarin 153

    Li Hong; He Li Ming; Wu Shi Kang; Li Yi; Yang Guo Qiang

    2002-01-01

    A dual-fluorescence emitting behaviour of coumarin 153 powder has been detected at high pressure while at ambient pressure the dye exhibits only single-band emission. Because of the strong electron-withdrawal group at site 7, these two fluorescent peaks can be ascribed to local excited state emission and charge transfer state emission, respectively.

  18. The high-pressure behavior of bloedite

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

    2014-01-01

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

  19. Superconductivity from magnetic elements under high pressure

    Shimizu, Katsuya; Amaya, Kiichi; Suzuki, Naoshi; Onuki, Yoshichika

    2006-01-01

    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

  20. Urea and deuterium mixtures at high pressures

    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.

  1. Sizing of high-pressure restriction orifices

    Casado Flores, E.

    1995-01-01

    Constant up-grading of power plants sometimes requires the modification of components which form part of suppliers' packages. In order to protect technology they have developed, however, the suppliers do not supply their calculation criteria. In order to reduce the costs of such improvements, and so as to be able to undertake the modification without having to rely on the original supplier, this paper describes the basic criteria applicable to the study of high-pressure restriction orifices, which can be considered to be representative of the components in question. The restriction orifices discussed are: - Insert - Multiplates in series with one perforation in each plate - Multiplates in series with several perforations in each plate For each type, an explanation of their sizing is given, together with the equations relating the corresponding flow and pressure drop. (Author)

  2. Recent developments in high pressure water technology

    Johnson, N.A.; Johnson, T.

    1992-01-01

    High Pressure Water Jetting has advanced rapidly in the last decade to a point where the field is splitting into specialised areas. This has left the end user or client in the dark as to whether water jetting will work and if so what equipment is best suited to their particular application. The aim of this paper is to give an overview of:-1. The way water is delivered to the surface and the parameters which control the concentration of energy available on impact. 2. The factors governing application driven selection of equipment. 3. The effects to technical advances in pumps and delivery systems on equipment selection with reference to their to their application to concrete removal and nuclear decontamination. (Author)

  3. High Pressure Quick Disconnect Particle Impact Tests

    Rosales, Keisa R.; Stoltzfus, Joel M.

    2009-01-01

    NASA Johnson Space Center White Sands Test Facility (WSTF) performed particle impact testing to determine whether there is a particle impact ignition hazard in the quick disconnects (QDs) in the Environmental Control and Life Support System (ECLSS) on the International Space Station (ISS). Testing included standard supersonic and subsonic particle impact tests on 15-5 PH stainless steel, as well as tests performed on a QD simulator. This paper summarizes the particle impact tests completed at WSTF. Although there was an ignition in Test Series 4, it was determined the ignition was caused by the presence of a machining imperfection. The sum of all the test results indicates that there is no particle impact ignition hazard in the ISS ECLSS QDs. KEYWORDS: quick disconnect, high pressure, particle impact testing, stainless steel

  4. Structure, function, and behaviour of computational models in systems biology.

    Knüpfer, Christian; Beckstein, Clemens; Dittrich, Peter; Le Novère, Nicolas

    2013-05-31

    Systems Biology develops computational models in order to understand biological phenomena. The increasing number and complexity of such "bio-models" necessitate computer support for the overall modelling task. Computer-aided modelling has to be based on a formal semantic description of bio-models. But, even if computational bio-models themselves are represented precisely in terms of mathematical expressions their full meaning is not yet formally specified and only described in natural language. We present a conceptual framework - the meaning facets - which can be used to rigorously specify the semantics of bio-models. A bio-model has a dual interpretation: On the one hand it is a mathematical expression which can be used in computational simulations (intrinsic meaning). On the other hand the model is related to the biological reality (extrinsic meaning). We show that in both cases this interpretation should be performed from three perspectives: the meaning of the model's components (structure), the meaning of the model's intended use (function), and the meaning of the model's dynamics (behaviour). In order to demonstrate the strengths of the meaning facets framework we apply it to two semantically related models of the cell cycle. Thereby, we make use of existing approaches for computer representation of bio-models as much as possible and sketch the missing pieces. The meaning facets framework provides a systematic in-depth approach to the semantics of bio-models. It can serve two important purposes: First, it specifies and structures the information which biologists have to take into account if they build, use and exchange models. Secondly, because it can be formalised, the framework is a solid foundation for any sort of computer support in bio-modelling. The proposed conceptual framework establishes a new methodology for modelling in Systems Biology and constitutes a basis for computer-aided collaborative research.

  5. Modeling of the mechanical behaviour of welded structures: behaviour laws and rupture criteria

    Paris, T.; Delaplanche, D.; Saanouni, K.

    2006-01-01

    In the framework of the technological developments carried out in the CEA, the analysis of the mechanical behaviour of the heterogeneous welded bonds Ta/TA6V is a main preoccupation. Indeed, the welding of these two materials which cannot be distinguished by their mechanical and thermal properties induces strong microstructural heterogeneities in the melted zone. In order to characterize the behaviour of the welded joints and to develop a model of mechanical behaviour, a four points bending test on a notched specimen has been developed and implemented. This new test has allowed to obtain a macroscopic response of strength-displacement type but to analyze too more finely, with an optical extensometry and images correlation method, the influence of the heterogeneities on the local deformation of the welded joint. The confrontation of these results to a metallurgical study allows to validate the first conclusions deduced of the mechanical characterization tests and to conclude as for the local mechanisms governing the behaviour and the damage of the melted zone. The mechanical behaviour can be restored by an elasto-viscoplastic model with isotropic and non linear kinematic strain hardening coupled to this damage. The proposed model allows to identify the macroscopic behaviour of the weld bead. (O.M.)

  6. 30 CFR 56.13021 - High-pressure hose connections.

    2010-07-01

    ... 30 Mineral Resources 1 2010-07-01 2010-07-01 false High-pressure hose connections. 56.13021... and Boilers § 56.13021 High-pressure hose connections. Except where automatic shutoff valves are used, safety chains or other suitable locking devices shall be used at connections to machines of high-pressure...

  7. 76 FR 38697 - High Pressure Steel Cylinders From China

    2011-07-01

    ... imports from China of high pressure steel cylinders, provided for in subheading 7311.00.00 of the... threatened with material injury by reason of LTFV and subsidized imports of high pressure steel cylinders... contained in USITC Publication 4241 (July 2011), entitled High Pressure Steel Cylinders from China...

  8. 77 FR 37712 - High Pressure Steel Cylinders From China

    2012-06-22

    ...), that an industry in the United States is materially injured by reason of imports of high pressure steel... preliminary determinations by Commerce that imports of high pressure steel cylinders from China were... Publication 4328 (June 2012), entitled High Pressure Steel Cylinders from China: Investigation Nos. 701-TA-480...

  9. 30 CFR 57.13021 - High-pressure hose connections.

    2010-07-01

    ... 30 Mineral Resources 1 2010-07-01 2010-07-01 false High-pressure hose connections. 57.13021... Air and Boilers § 57.13021 High-pressure hose connections. Except where automatic shutoff valves are...-pressure hose lines of 3/4-inch inside diameter or larger, and between high-pressure hose lines of 3/4-inch...

  10. High pressure effect for high-Tc superconductors

    Takahashi, Hiroki; Tomita, Takahiro

    2011-01-01

    A number of experimental and theoretical studies have been performed to understand the mechanism of high-T c superconductivity and to enhance T c . High-pressure techniques have played a very important role for these studies. In this paper, the high-pressure techniques and physical properties of high-T c superconductor under high pressure are presented. (author)

  11. High-pressure phase transformations of fluorite-type dioxides

    Lin-Gun Liu

    1980-01-01

    Phase transformations in six fluorite-type dioxides ('TbO 2 ', PbO 2 , 'PrO 2 ', CeO 2 , UO 2 and ThO 2 in the order of increasing cation size, where the quotation marks indicate non-stoichiometric materials) have been investigated in the diamond-anvil press coupled with laser heating. Together with earlier work, the results show that the post-fluorite phase transformations of these dioxides fall into two groups. The smaller cation group (HfO 2 , ZrO 2 and 'TbO 2 ') transforms to a cotunnite or a distorted cotunnite-type structure at pressures in the vicinity of 100 kbar and at about 1000 0 C. The larger cation group (from PbO 2 to ThO 2 ) is believed to transform to a different type of orthorhombic modification at high pressures. It is plausible that this high-pressure phase may possess a Ni 2 Si-related structure, as was observed in ThO 2 and 'PrO 2 ' at pressures greater than 150 and 200 kbar, respectively. (orig./ME)

  12. Characterization of high-pressure, underexpanded hydrogen-jet flames

    Schefer, R.W.; Houf, W.G.; Williams, T.C. [Combustion Research Facility, Sandia National Laboratories, Livermore, CA 94551 (United States); Bourne, B.; Colton, J. [SRI International, 333 Ravenwood Ave., Menlo Park, CA 94025 (United States)

    2007-08-15

    Measurements were performed to characterize the dimensional and radiative properties of large-scale, vertical hydrogen-jet flames. This data is relevant to the safety scenario of a sudden leak in a high-pressure hydrogen containment vessel and will provide a technological basis for determining hazardous length scales associated with unintended hydrogen releases at storage and distribution centers. Jet flames originating from high-pressure sources up to 413 bar (6000 psi) were studied to verify the application of correlations and scaling laws based on lower-pressure subsonic and choked-flow jet flames. These higher pressures are expected to be typical of the pressure ranges in future hydrogen storage vessels. At these pressures the flows exiting the jet nozzle are categorized as underexpanded jets in which the flow is choked at the jet exit. Additionally, the gas behavior departs from that of an ideal-gas and alternate formulations for non-ideal gas must be introduced. Visible flame emission was recorded on video to evaluate flame length and structure. Radiometer measurements allowed determination of the radiant heat flux characteristics. The flame length results show that lower-pressure engineering correlations, based on the Froude number and a non-dimensional flame length, also apply to releases up to 413 bar (6000 psi). Similarly, radiative heat flux characteristics of these high-pressure jet flames obey scaling laws developed for low-pressure, smaller-scale flames and a wide variety of fuels. The results verify that such correlations can be used to a priori predict dimensional characteristics and radiative heat flux from a wide variety of hydrogen-jet flames resulting from accidental releases. (author)

  13. Engineering Model of High Pressure Moist Air

    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.

  14. High Pressure Laminates with Antimicrobial Properties

    Sandra Magina

    2016-02-01

    Full Text Available High-pressure laminates (HPLs are durable, resistant to environmental effects and good cost-benefit decorative surface composite materials with special properties tailored to meet market demand. In the present work, polyhexamethylene biguanide (PHMB was incorporated for the first time into melamine-formaldehyde resin (MF matrix on the outer layer of HPLs to provide them antimicrobial properties. Chemical binding of PHMB to resin matrix was detected on the surface of produced HPLs by attenuated total reflection Fourier transform infrared spectroscopy (ATR-FTIR. Antimicrobial evaluation tests were carried out on the ensuing HPLs doped with PHMB against gram-positive Listeria innocua and gram-negative Escherichia coli bacteria. The results revealed that laminates prepared with 1.0 wt % PHMB in MF resin were bacteriostatic (i.e., inhibited the growth of microorganisms, whereas those prepared with 2.4 wt % PHMB in MF resin exhibited bactericidal activity (i.e., inactivated the inoculated microorganisms. The results herein reported disclose a promising strategy for the production of HPLs with antimicrobial activity without affecting basic intrinsic quality parameters of composite material.

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

    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.

  16. Metal (M) dopant centred local structures, high-pressure synthesis and bulk superconductivity in YBa sub 2 (Cu sub 1 sub - sub x M sub x) sub 3 O sub 7 sub - subdelta: M = Fe, Co, Ni

    Shi, F; Bresser, W J; Boolchand, P; McDaniel, D

    1997-01-01

    Depression of T sub c by the dopants Fe or Co, but not Ni, is spectacularly reversed by synthesis of the titled cuprates at high P instead of ambient P of oxygen with T sub c enhanced from 32 to 82 K for M=Fe at x=0.10. With Fe dopant, Moessbauer spectroscopy reveals a conversion of a tetrahedral (A) into a trigonal bipyramidal coordinated (C) Fe chain site by oxygen addition in the chains upon high-P processing. The A->C site transformation is elucidated and extended to the case of Co dopant, and its consequences for superconducting behaviour discussed. (author). Letter-to-the-editor

  17. NATO Advanced Study Institute on High-Pressure Crystallography

    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...

  18. The high-pressure phase of CePtAl

    Heymann, Gunter; Heying, Birgit; Rodewald, Ute C.; Janka, Oliver; Univ. Oldenburg

    2017-01-01

    The intermetallic aluminum compound HP-CePtAl was synthesized by arc melting of the elements with subsequent high-pressure/high-temperature treatment at 1620 K and 10.5 GPa in a multianvil press. The compound crystallizes in the hexagonal MgZn_2-type structure (P6_3/mmc) with lattice parameters of a=552.7(1) and c=898.8(2) pm refined from powder X-ray diffraction data. With the help of single crystal investigations (wR=0.0527, 187 F"2 values, 13 variables), the proposed structure type was confirmed and the mixed Pt/Al site occupations could be refined. Magnetic susceptibility measurements showed a disappearance of the complex magnetic ordering phenomena, which are observed in NP-CePtAl.

  19. The high-pressure phase of CePtAl

    Heymann, Gunter [Univ. Innsbruck (Austria). Inst. fuer Allgemeine, Anorganische und Theoretische Chemie; Heying, Birgit; Rodewald, Ute C. [Univ. Muenster (Germany). Inst. fuer Anorganische und Analytische Chemie; Janka, Oliver [Univ. Muenster (Germany). Inst. fuer Anorganische und Analytische Chemie; Univ. Oldenburg (Germany). Inst. fuer Chemie

    2017-03-01

    The intermetallic aluminum compound HP-CePtAl was synthesized by arc melting of the elements with subsequent high-pressure/high-temperature treatment at 1620 K and 10.5 GPa in a multianvil press. The compound crystallizes in the hexagonal MgZn{sub 2}-type structure (P6{sub 3}/mmc) with lattice parameters of a=552.7(1) and c=898.8(2) pm refined from powder X-ray diffraction data. With the help of single crystal investigations (wR=0.0527, 187 F{sup 2} values, 13 variables), the proposed structure type was confirmed and the mixed Pt/Al site occupations could be refined. Magnetic susceptibility measurements showed a disappearance of the complex magnetic ordering phenomena, which are observed in NP-CePtAl.

  20. Loads on EPR containment after RPV failure at high pressure

    Jacobs, G.

    1995-01-01

    As regards the desgin of the EPR, the general strategy is to eliminate, the vessel failure at high pressure by preventive and mitigative measures. The design proposals involved trust in the reliability of dedicated devices (relief valves) for rapid depressurization. The aim is to attain a lower pressure level at the moment of vessel failure, so that the containment is capable to cope with the blowdown impact on the pit walls and the vessel supporting structures. Nevertheless, the potential of a high-pressure failure of the vessel must be kept in mind, whatever well thought-out and reliable preventive depressurization measures might be. Therefore, the reactor pressure blowdown has been studied in order to quantify the ultimate containment load, which might support future design requirements. The calculations were performed with the LWR transient analysis thermal-hydraulics computer code REALAP5/MOD3. In previous analyses, the nodalization of the problem was based on the geometrical conditions of a typical German 1300 MW(e) NPP. In the present analysis a new input model has been used, which was based on the EPR conditions. (orig./HP)

  1. Evaluation of high-pressure containment buildings for LMFBR's

    Armstrong, G.R.

    1981-01-01

    A study was conducted on the use of High Pressure LMFBR Containment Buildings for 1000 MW(e) LMFBRs. Two principal aspects were investigated: accident consequence mitigation and cost. Two types of hypothetical accidents were analyzed to establish consequence mitigation: melt-through and energetic expulsion. Three Containment Building (CB) design pressures were investigated: 69 kPa (10 psig), 207 kPa (30 psig), and 414 kPa (60 psig). Four types of design structures were analyzed to establish cost: steel, steel with confinement building, reinforced concrete, and prestressed/post-tensioned concrete. Results show that: it is within reason that a high pressure containment for a 1000 MW(e) reactor can be fabricated that will retain its integrity during postulated severe hypothetical accidents, if available measures are taken to reduce or prevent hydrogen production and the cost differential between basic high (414 kPa) and low (69 kPa) pressure containments is $10 x 10 6 or less

  2. Rare-earth-metal nitridophosphates through high-pressure metathesis

    Kloss, Simon David; Schnick, Wolfgang

    2015-01-01

    Developing a synthetic method to target an broad spectrum of unknown phases can lead to fascinating discoveries. The preparation of the first rare-earth-metal nitridophosphate LiNdP_4N_8 is reported. High-pressure solid-state metathesis between LiPN_2 and NdF_3 was employed to yield a highly crystalline product. The in situ formed LiF is believed to act both as the thermodynamic driving force and as a flux to aiding single-crystal formation in dimensions suitable for crystal structure analysis. Magnetic properties stemming from Nd"3"+ ions were measured by SQUID magnetometry. LiNdP_4N_8 serves as a model system for the exploration of rare-earth-metal nitridophosphates that may even be expanded to transition metals. High-pressure metathesis enables the systematic study of these uncharted regions of nitride-based materials with unprecedented properties. (copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  3. Pressure Dome for High-Pressure Electrolyzer

    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

  4. Analyzing Sport Consumer Behaviour toward Sportswear Store: A Structural Equation Modelling Approach

    Hafedh Ibrahim; Faouzi Najjar

    2014-01-01

    The aim of this study is to elucidate in sportswear store setting the relationships among psychological traits, loyalty to salesperson and behavioural intentions in three different sport consumers according to their switching behaviour. By means of structural equation modelling, we find a clear difference in the behaviour of the three groups. The results show that loyalty to salesperson is more influenced by need for social affiliation for the stayer customers. Whereas, for the dissatisfied a...

  5. High-pressure phase transitions of deep earth materials

    Hirose, Kei

    2009-01-01

    Recent developments in synchrotron XRD measurements combined with laser-heated diamond-anvil cell (LHDAC) techniques have enabled us to search for a novel phase transition at extremely high pressure and temperature. A phase transition from MgSiO 3 perovskite to post-perovskite was discovered through a drastic change in XRD patterns above 120 GPa and 2500 K, corresponding to the condition in the lowermost mantle (Murakami et al., 2004; Oganov and Ono, 2004). A pressure-induced phase transformation from ABO 3 -type perovskite to any denser structures was not known at that time. This new MgSiO 3 polymorph called post-perovskite has an orthorhombic symmetry (space group: Cmcm) with a sheet-stacking structure. The Mg site in post-perovskite is smaller than that in perovskite, which results in a volume reduction by 1.0-1.5% from perovskite structure. The electrical conductivity of post-perovskite is higher by three orders of magnitude than that of perovskite at similar pressure range (Ohta et al., 2008). This is likely due to a shorter Fe-Fe distance in post-perovskite structure, while conduction mechanism is yet to be further examined. Phase transition boundary between perovskite and post-perovskite has been determined in a wide temperature range up to 4400 K at 170 GPa (Tateno et al., 2008). Phase relations of Fe alloys have been also studied at core pressures (>135 GPa), although the generation of high temperature is more difficult at higher pressures. A new high-pressure B2 phase of B2 phase of FeS was recently discovered above 180 GPa (Sata et al., 2008). The Fe-Ni alloys have a wide pressure-temperature stability field of fcc phase at the core pressure range, depending on the Ni content (Kuwayama et al., 2008). (author)

  6. Social structure and indirect genetic effects: genetics of social behaviour.

    Schneider, Jonathan; Atallah, Jade; Levine, Joel D

    2017-05-01

    The social environment modulates gene expression, physiology, behaviour and patterns of inheritance. For more than 50 years, this concept has been investigated using approaches that include partitioning the social component out of behavioural heritability estimates, studying maternal effects on offspring, and analysing dominance hierarchies. Recent advances have formalized this 'social environment effect' by providing a more nuanced approach to the study of social influences on behaviour while recognizing evolutionary implications. Yet, in most of these formulations, the dynamics of social interactions are not accounted for. Also, the reciprocity between individual behaviour and group-level interactions has been largely ignored. Consistent with evolutionary theory, the principles of social interaction are conserved across a broad range of taxa. While noting parallels in diverse organisms, this review uses Drosophila melanogaster as a case study to revisit what is known about social interaction paradigms. We highlight the benefits of integrating the history and pattern of interactions among individuals for dissecting molecular mechanisms that underlie social modulation of behaviour. © 2016 The Authors. Biological Reviews published by John Wiley & Sons Ltd on behalf of Cambridge Philosophical Society.

  7. Physical activity prescription among Mexican physicians: a structural equation analysis of the theory of planned behaviour.

    Galaviz, K I; Jauregui-Ulloa, E; Fabrigar, L R; Latimer-Cheung, A; Lopez y Taylor, J; Lévesque, L

    2015-03-01

    To describe the physical activity (PA) prescribing behaviour of Mexican primary care physicians and determine if the theory of planned behaviour (TPB) explains this behaviour. 633 physicians (56% male, mean age 38 years) from 305 primary care clinics in Jalisco, Mexico self-reported PA prescription behaviour, PA involvement, attitude, subjective norm, perceived behavioural control (PBC) and intention related to PA prescription behaviour. Structural equation modelling (SEM) was employed. 48% of physicians reported they always ask patients about their PA, 33% provide verbal prescriptions, 6% provide written prescriptions, 8% refer patients to PA resources and 4% assess patient fitness. SEM analysis showed that the fit of the TPB model was satisfactory (RMSEA = 0.05, CFI = 0.98, SRMR = 0.05). The model explained 79% of the variance on intention (r(2) = 0.79, p behaviour (r(2) = 0.14, p behavioural intention, while PBC (β = 0.38, p behaviour. The TPB provided useful insight into physician prescription behaviour, although not all the theory tenets were supported. More research testing the TPB and other theories is needed to better understand psychosocial predictors of this behaviour. Strategies aimed at improving physicians' perceived ability to prescribe PA and their own PA involvement seem worthwhile. © 2015 John Wiley & Sons Ltd.

  8. Rim formation and fission gas behaviour: some structure remarks

    Spino, J.; Papaioannou, D.; Ray, I.; Baron, D.

    2002-01-01

    In high burn-up LWR nuclear fuel an increase of the Xe-mobility is observed in the rim region according to EPMA. This often coincides with an increase of the local porosity and the grain subdivision of the material in regions around the pores. The restructuring does not always imply disappearance of the prior grain boundaries. This seems to occur in a final step. Micro-XRD studies also show a contraction of the fuel lattice in the rim zone, reflecting mainly the release of accumulated stresses during irradiation, via reordering of defects and defect complexes, including sub-grain formation and displacement of Xe traps. The lattice contraction is not measurable when the fraction of restructured areas is low and the prior grain structure still remains. Nevertheless, in such a case, even the Xe signal by EPMA is observed to decrease, anticipating the displacement of Xe inside the grains, probably towards cavities. However, the quantitative proportion of Xe in matrix and pores can not be given by EPMA. This is confirmed by TEM examinations, showing still plenty of gas bubbles inside restructured grains, in spite of the low Xe signal detected by EPMA. An alternative determination therefore appears necessary. The fission gas release (FGR) behaviour of the rim zone seems then to depend basically on the efficiency of gas retention in its porosity. The closed character of these pores and the low percolation probability derived from the high pore to grain size ratio anticipate a low incidence of open porosity. Also, mechanical tests suggest a low pore interconnection probability by microcracking. However, at very high local burn-ups (>150 GWd/tM), too high porosity values are determined compared to the values derived from immersion density and solid swelling, suggesting the potential existence of open channels. Also, abnormally high porosity values by quantitative metallography might arise from grain pullout during sample preparation. Here, a rough estimation of the release

  9. Long-term behaviour of timber structures in torrent control

    Rickli, Christian; Graf, Frank

    2014-05-01

    Timber is widely used for protection measures in torrent control. However, life span of woody constructions such as timber check dams is limited due to fungal decay. However, only sparse scientific information is available on the long-term behaviour of timber structures and the colonisation with decay fungi. Related to this, in practice a controversial discussion has been going on if either Norway Spruce (Picea abies) or Silver Fir (Abies alba) is more enduring and if bark removal increases resistance against fungal decay. In order to going into this matter a series of 15 timber check dams built in 1996 has been monitored. The constructions were alternatively realised with Norway Spruce and Silver Fir, half of them each with remaining and removed bark, respectively. The scientific investigations included the documentation of colonisation with rot fungi and the identification of decayed zones with a simple practical approach as well as based on drilling resistance. Colonisation by decay fungi started three years after construction (e.g. Gloeophyllum sepiarium), detecting two years later first parts with reduced wood resistance. Sixteen years after construction decay was found on all check dams but two. Wood quality was markedly better in watered sections compared to the occasionally dry lateral abutment sections. Taking the whole check dams into consideration, slightly more decay was detected in Norway Spruce compared to logs in Silver Fir and both the practical approach and the drilling resistance measurement yielded in more defects on logs without bark. However, due to limited number of replications and fungal data, it was not possible to statistically verify these results. Statistical analysis was restricted to the drilling resistance data and fruit-bodies of decay fungi of the uppermost log of each check dam. Based on this limited analysis significant differences in the effect on the drilling resistance were found for watered sections and lateral abutments

  10. Behaviour of AR glass fibre for building structural applications

    Miravete, A.

    2005-12-01

    Full Text Available The AR glass reinforcement fibres were designed to resist the alkalis from the concrete. This is the main reason for its utilisation as a short-fibre-reinforcement of mortar and concrete for the last decades. Originally, the AR glass fibre sizing was not compatible with synthetic resins, so that this type of reinforcement was applied exclusively to mortar and concrete matrices. Recently, due to the developments of sizing, which are compatible with synthetic resins, the AR- glass fibres may be used as reinforcement of organic matrix composite materials, broadening the range of structural applications. The mechanical properties of AR glass fibre and organic matrix composite materials will be studied in this paper. First, the behaviour of this material under stress corrosion will be analysed. Their mass loss will be compared to E, C, and boron free glass fibres. Second, an experimental study dealing with 3P test bending and short beam ofAR glass fibre/polyester will de described with the goal of obtaining their Young modulus and tensile and interlaminar shear strengths. Finally, these experimental results will be compared to E glass fibre/polyester and several conclusions about their structural applications will be drawn.

    El vidrio AR y su presentación en forma de fibras de refuerzo, fue diseñado para ser inerte a los álcalis de los cementos. Por este motivo se viene utilizando desde hace varias décadas como refuerzo de morteros y hormigones en forma de fibra corta. El ensimaje que estas fibras de vidrio de refuerzo A R presentaba en su origen no era compatible con resinas de tipo sintéticas, por lo que el refuerzo era exclusivo para cementos y hormigones fuera cual fuera la aplicación, formato o proceso productivo. Recientemente, gracias al desarrollo específico de ensimajes especiales acordes a las fibras de vidrio AR ha aparecido la misma tipología de vidrio AR como refuerzo en forma de fibra continua compatible con resinas sint

  11. Interdiffusion of krypton and xenon in high-pressure helium

    Campana, R.J.; Jensen, D.D.; Epstein, B.D.; Hudson, R.G.; Baldwin, N.L.

    1980-01-01

    The interdiffusion of gaseous fission products in high-pressure helium is an important factor in the control of radioactivity in gas-cooled fast breeder reactors (GCFRs). As presently conceived, GCFRs use pressure-equalized and vented fuel in which fission gases released from the solid matrix oxide fuel are transported through the fuel rod interstices and internal fission product traps to the fuel assembly vents, where they are swept away to external traps and storage. Since the predominant transport process under steady-state operating conditions is interdiffusion of gaseous fission products in helium, the diffusion properties of krypton-helium and xenon-helium couples have been measured over the range of GCFR temperature and pressure conditions ( -1 ) and expected temperature dependence to the 1.66 power (Tsup(1.66)) at lower pressures and temperatures. Additional work is in progress to measure the behaviour of the krypton-helium and xenon-helium couples in GCFR fuel rod charcoal delay traps. (author)

  12. High pressure structural investigation on alluaudites Na{sub 2}Fe{sub 3}(PO{sub 4}){sub 3}-Na{sub 2}FeMn{sub 2}(PO{sub 4}){sub 3} system

    Gao, Jing [Key Laboratory of Orogenic Belts and Crustal Evolution, MOE, School of Earth and Space Sciences, Peking University, Beijing 100871 (China); Huang, Weifeng [College of Engineering, Peking University, Beijing 100871 (China); Qin, Shan [Key Laboratory of Orogenic Belts and Crustal Evolution, MOE, School of Earth and Space Sciences, Peking University, Beijing 100871 (China); Wu, Xiang, E-mail: wuxiang@cug.edu.cn [State key laboratory of geological processes and mineral resources, China University of Geosciences, Wuhan 430074 (China)

    2017-03-15

    Alluaudites are promising electrochemical materials benefited from the open structure. Structural variations of alluaudites Na{sub 2}M{sub 3}(PO{sub 4}){sub 3} (M{sub 3}=Fe{sub 3}, Fe{sub 2}Mn and FeMn{sub 2}) system have been studied by synchrotron radiation X-ray diffraction combined with diamond anvil cell technique up to ~10 GPa at room temperature. No phase transition is observed. The excellent structural stability is mainly due to the flexible framework plus strong covalent P-O bond. Mn{sup 2+} instead of Fe can be described as Na{sup +}+2Fe{sup 2+}→Mn{sup 2+}+Fe{sup 3+}+□ where □ represents a lattice vacancy. The replacement of Fe with larger Mn{sup 2+} is equivalent to applying negative chemical pressure to the material. And it causes a more compressible b-axis, lattice expansion, structural compressibility and intensifies the core/electron-electron interactions of Fe. External pressure effect produces anisotropic lattice shrinkage. Structural considerations related to these variations and promising application prospects are discussed. - Graphical abstract: Figure 1 The crystal structure of alluaudites Na{sub 2}M{sub 3}(PO{sub 4}){sub 3} (M{sub 3}=Fe{sub 3}, Fe{sub 2}Mn and FeMn{sub 2}) projected along the c-axis. Alluaudites adopt a flexible framework plus strong covalent P-O bond, which contribute to excellent structural stability up to ~10 GPa. Mn{sup 2+} instead of Fe can be described as Na{sup ++}2Fe{sup 2+}→Mn{sup 2+}+Fe{sup 3+}+□ where □ represents a lattice vacancy, and it is equivalent to applying negative chemical pressure to the host. The substitution causes a more compressible b-axis, lattice expansion, structural compressibility and intensifies the core/electron-electron interactions of Fe.

  13. Neutron powder diffraction under high pressure at J-PARC

    Utsumi, Wataru; Kagi, Hiroyuki; Komatsu, Kazuki; Arima, Hiroshi; Nagai, Takaya; Okuchi, Takuo; Kamiyama, Takashi; Uwatoko, Yoshiya; Matsubayashi, Kazuyuki; Yagi, Takehiko

    2009-01-01

    It is expected that high-pressure material science and the investigation of the Earth's interior will progress greatly using the high-flux pulse neutrons of J-PARC. In this article, we introduce our plans for in situ neutron powder diffraction experiments under high pressure at J-PARC. The use of three different types of high-pressure devices is planned; a Paris-Edinburgh cell, a new opposed-anvil cell with a nano-polycrystalline diamond, and a cubic anvil high-pressure apparatus. These devices will be brought to the neutron powder diffraction beamlines to conduct a 'day-one' high-pressure experiment. For the next stage of research, we propose construction of a dedicated beamline for high-pressure material science. Its conceptual designs are also introduced here.

  14. High-pressure torsion for new hydrogen storage materials.

    Edalati, Kaveh; Akiba, Etsuo; Horita, Zenji

    2018-01-01

    High-pressure torsion (HPT) is widely used as a severe plastic deformation technique to create ultrafine-grained structures with promising mechanical and functional properties. Since 2007, the method has been employed to enhance the hydrogenation kinetics in different Mg-based hydrogen storage materials. Recent studies showed that the method is effective not only for increasing the hydrogenation kinetics but also for improving the hydrogenation activity, for enhancing the air resistivity and more importantly for synthesizing new nanostructured hydrogen storage materials with high densities of lattice defects. This manuscript reviews some major findings on the impact of HPT process on the hydrogen storage performance of different titanium-based and magnesium-based materials.

  15. Safety regulation on high-pressure gas and gas business

    Kim, Du Yeoung; An, Dae Jun

    1978-09-01

    This book is divided into two parts. The first part introduces safety regulation on high-pressure gas, enforcement ordinance on safety regulation about high-pressure gas and enforcement regulation on safety regulation about high-pressure gas. The second part indicates regulations on gas business such as general rules, gas business gas supplies, using land, supervision, supple mentary rules and penalty. It has two appendixes on expected questions and questions during last years.

  16. Implicit communication in organisations. The impact of culture, structure and management practices on employee behaviour

    Hoogervorst, J.A.P.; van der Flier, H.; Koopman, P.L.

    2004-01-01

    Organisations engage in explicit and intentional communication with employees in various ways. However, communication will not be received in a "neutral" context. Employees operate in an organisational (or behavioural) context determined by the organisational culture, structures and systems, and the

  17. Proposed dedicated high pressure beam lines at CHESS

    Ruoff, A.L.; Vohra, Y.K.; Bassett, W.A.; Batterman, B.W.; Bilderback, D.H.

    1988-01-01

    An instrumentation proposal for dedicated high pressure beam lines at CHESS is described. It is the purpose of this proposed program to provide researchers in high pressure science with beam lines for X-ray diffraction studies in the megabar regime. This will involve radiation from a bending magnet as well as from a wiggler. Examples of the high pressure results up to 2.16 Mbar are shown. Diffraction patterns from bending magnet and wiggler beams are shown and compared. The need for this facility by the high pressure community is discussed. (orig.)

  18. Structure and chemical composition changes of Pd-rod and reaction product collector irradiated by 10 MeV braking gamma quanta inside high pressure chamber filled with 2.5 kbar molecular hydrogen

    Didyk, A.Yu.; Wisniewski, R.

    2013-01-01

    A research of the elemental composition and surface structure of a Pd rod saturated with hydrogen and a brass collector of nuclear and chemical reaction products irradiated by 10 MeV braking gamma quanta in dense molecular hydrogen gas at 2.5 kbar pressure is carried out. The changes of the elemental composition and surface structure of the Pd rod and collector similar to analogous changes in the experiment carried out in dense gas deuterium are observed. Possible explanations of the firstly observed phenomenon are offered

  19. Comparison calculation/experiment on the load case ``shutdown of TH high pressure pumps under consideration of fluid structure interaction``; Vergleich Rechnung/Messung zum Lastfall ``Abschaltung der TH-Hochdruckpumpen unter Beruecksichtigung der Fluid-Struktur-Wechselwirkung``

    Erath, W.; Nowotny, B.; Maetz, J. [KED, Rodenbach (Germany)

    1998-11-01

    Measurements of an experiment in a pipe system with pump shutdown and valve closing have been performed in the nuclear power plant KRB II. Comparative calculations of fluid and structure including interaction show an excellent agreement with the measured results. Theory and implementation of the fluid/structure interaction and the results of the comparison are described. It turns out that the consideration of the fluid/structure interaction is mostly a significant increase of the effective structural damping. (orig.) [Deutsch] Es wurden Messungen am nuklearen Nachkuehlsystem des Kernkraftwerks Gundremmingen (KRB II) bei einem Versuche mit Pumpenabschalten und Ventilschliessen durchgefuehrt. Vergleichsrechnungen der Fluid-Strukturdynamik unter echter Beruecksichtigung der Wechselwirkung ergaben eine ausgezeichnete Uebereinstimmung der Rechnung mit den Messungen. Es werden Theorie und Implementierung der Koppelung der Fluid- und Struktur-Berechnungen sowie die Vergleiche von Messung und Rechnung beschrieben. Es ergibt sich, dass die Beruecksichtigung der Wechselwirkung notwendig ist zur genaueren Berechnung von `weichen` Rohrleitungsystemen. Eine wichtige Folge der Wechselwirkung ist meist eine deutliche Erhoehung der effektiven Strukturdaempfung. (orig.)

  20. Behaviour of glued fibre composite sandwich structure in flexure: Experiment and Fibre Model Analysis

    Manalo, Allan; Aravinthan, Thiru

    2012-01-01

    Highlights: ► Fibre Model Analysis is used to examine the flexural behaviour of sandwich beams. ► Theoretical prediction using FMA is in good agreement with the experiment. ► Using the constituent materials in FMA predicted accurately the beam’s behaviour. ► FMA can be used for analysing sandwich beams with high-strength core in flexure. -- Abstract: The behaviour of glued composite sandwich beams in flexure was investigated with a view of using this material for structural and civil engineering applications. The building block of this glue-laminated beam is a new generation composite sandwich structure made up of glass fibre reinforced polymer skins and a high strength phenolic core material. A simplified Fibre Model Analysis (FMA) usually used to analyse a concrete beam section is adopted to theoretically describe the flexural behaviour of the innovative sandwich beam structure. The analysis included the flexural behaviour of the glued sandwich beams in the flatwise and the edgewise positions. The FMA accounted for the non-linear behaviour of the phenolic core in compression, the cracking of the core in tension and the linear elastic behaviour of the fibre composite skin. The results of the FMA showed a good agreement with the experimental data showing the efficiency and practical applications of the simplified FMA in analysing and designing sandwich structures with high strength core material.

  1. Robustness Evaluation of Timber Structures with Ductile Behaviour

    Kirkegaard, Poul Henning; Sørensen, John Dalsgaard; Cizmar, D.

    2009-01-01

    Robustness of structural systems has received a renewed interest resulting from the more frequent use of advanced types of structures with limited redundancy and serious consequences in the case of failure.......Robustness of structural systems has received a renewed interest resulting from the more frequent use of advanced types of structures with limited redundancy and serious consequences in the case of failure....

  2. Ultra(high)-pressure liquid chromatography-electrospray ionization-time-of-flight-ion mobility-high definition mass spectrometry for the rapid identification and structural characterization of flavonoid glycosides from cauliflower waste.

    Gonzales, Gerard Bryan; Raes, Katleen; Coelus, Sofie; Struijs, Karin; Smagghe, Guy; Van Camp, John

    2014-01-03

    In this paper, a strategy for the detection and structural elucidation of flavonoid glycosides from a complex matrix in a single chromatographic run using U(H)PLC-ESI-IMS-HDMS/MS(E) is presented. This system operates using alternative low and high energy voltages that is able to perform the task of conventional MS/MS in a data-independent way without re-injection of the sample, which saves analytical time. Also, ion mobility separation (IMS) was employed as an additional separation technique for compounds that are co-eluting after U(H)PLC separation. First, the fragmentation of flavonoid standards were analyzed and criteria was set for structural elucidation of flavonoids in a plant extract. Based on retention times, UV spectra, exact mass, and MS fragment characteristics, such as abundances of daughter ions and the presence of radical ions ([Y0-H](-)), a total 19 flavonoid glycosides, of which 8 non-acylated and 11 acylated, were detected and structurally characterized in a cauliflower waste extract. Kaempferol and quercetin were the main aglycones detected while sinapic and ferulic acid were the main phenolic acids. C-glycosides were also found although their structure could not be elucidated. The proposed method can be used as a rapid screening test for flavonoid identification and for routine analysis of plant extracts, such as these derived from cauliflower waste. The study also confirms that agroindustrial wastes, such as cauliflower leaves, could be seen as a valuable source of different bioactive phenolic compounds. Copyright © 2013 Elsevier B.V. All rights reserved.

  3. New high pressure die cast magnesium alloy AM-HP2 for powertrain applications

    Gibson, M.A. [Queensland Univ., Brisbane (Australia). CAST CRC]|[CSIRO Manufacturing and Materials Technology, Clayton (Australia); Zhu, S.M.; Nie, J.F. [Queensland Univ., Brisbane (Australia). CAST CRC]|[Monash Univ., Monash (Australia). Dept. of Materials Engineering

    2007-07-01

    In order to improve the benefits available through weight savings on engine emissions, magnesium alloys must gain wider acceptance in transmission and engine applications. This paper provided details of a new alloy with exceptional creep properties developed for automotive powertrain applications. The AM-HP2 alloy was developed as part of a broader research program investigating the relationship between the composition, structure and properties of magnesium rare earth (Mg-RE) based alloys and high-pressure die casting (HPDC). Cylindrical test specimens of various alloys were produced on a cold chamber HPDC machine. Tensile creep tests were then conducted under a constant load at 177 degrees C for a period of 600 hours. Microstructures of specimens were characterized using a CM20 transmission electron microscope. Results of the tests indicated that near-grain boundary microstructure was an important parameter in securing optimum elevated temperature properties. The RE element had a significant effect on the creep behaviour of the HPDC Mg-RE alloys. It was concluded that further research is needed to investigate the influence of the RE mixture in improving creep performance. 15 refs., 2 tabs., 6 figs.

  4. Colloquium: High pressure and road to room temperature superconductivity

    Gor'kov, Lev P.; Kresin, Vladimir Z.

    2018-01-01

    This Colloquium is concerned with the superconducting state of new high-Tc compounds containing hydrogen ions (hydrides). Recently superconductivity with the record-setting transition temperature of Tc=203 K was reported for sulfur hydrides under high pressure. In general, high pressure serves as a path finding tool toward novel structures, including those with very high Tc . The field has a rich and interesting history. Currently, it is broadly recognized that superconductivity in sulfur hydrides owes its origin to the phonon mechanism. However, the picture differs from the conventional one in important ways. The phonon spectrum in sulfur hydride is both broad and has a complex structure. Superconductivity arises mainly due to strong coupling to the high-frequency optical modes, although the acoustic phonons also make a noticeable contribution. A new approach is described, which generalizes the standard treatment of the phonon mechanism and makes it possible to obtain an analytical expression for Tc in this phase. It turns out that, unlike in the conventional case, the value of the isotope coefficient (for the deuterium-hydrogen substitution) varies with the pressure and reflects the impact of the optical modes. The phase diagram, that is the pressure dependence of Tc , is rather peculiar. A crucial feature is that increasing pressure results in a series of structural transitions, including the one which yields the superconducting phase with the record Tc of 203 K. In a narrow region near P ≈150 GPa the critical temperature rises sharply from Tc≈120 to ≈200 K . It seems that the sharp structural transition, which produces the high-Tc phase, is a first-order phase transition caused by interaction between the order parameter and lattice deformations. A remarkable feature of the electronic spectrum in the high-Tc phase is the appearance of small pockets at the Fermi level. Their presence leads to a two-gap spectrum, which can, in principle, be observed with the

  5. Modelling nonlinear viscoelastic behaviours of loudspeaker suspensions-like structures

    Maillou, Balbine; Lotton, Pierrick; Novak, Antonin; Simon, Laurent

    2018-03-01

    Mechanical properties of an electrodynamic loudspeaker are mainly determined by its suspensions (surround and spider) that behave nonlinearly and typically exhibit frequency dependent viscoelastic properties such as creep effect. The paper aims at characterizing the mechanical behaviour of electrodynamic loudspeaker suspensions at low frequencies using nonlinear identification techniques developed in recent years. A Generalized Hammerstein based model can take into account both frequency dependency and nonlinear properties. As shown in the paper, the model generalizes existing nonlinear or viscoelastic models commonly used for loudspeaker modelling. It is further experimentally shown that a possible input-dependent law may play a key role in suspension characterization.

  6. Effect of pressure on the short-range structure and speciation of carbon in alkali silicate and aluminosilicate glasses and melts at high pressure up to 8 GPa: 13C, 27Al, 17O and 29Si solid-state NMR study

    Kim, Eun Jeong; Fei, Yingwei; Lee, Sung Keun

    2018-03-01

    Despite the pioneering efforts to explore the nature of carbon in carbon-bearing silicate melts under compression, experimental data for the speciation and the solubility of carbon in silicate melts above 4 GPa have not been reported. Here, we explore the speciation of carbon and pressure-induced changes in network structures of carbon-bearing silicate (Na2O-3SiO2, NS3) and sodium aluminosilicate (NaAlSi3O8, albite) glasses quenched from melts at high pressure up to 8 GPa using multi-nuclear solid-state NMR. The 27Al triple quantum (3Q) MAS NMR spectra for carbon-bearing albite melts revealed the pressure-induced increase in the topological disorder around 4 coordinated Al ([4]Al) without forming [5,6]Al. These structural changes are similar to those in volatile-free albite melts at high pressure, indicating that the addition of CO2 in silicate melts may not induce any additional increase in the topological disorder around Al at high pressure. 13C MAS NMR spectra for carbon-bearing albite melts show multiple carbonate species, including [4]Si(CO3)[4]Si, [4]Si(CO3)[4]Al, [4]Al(CO3)[4]Al, and free CO32-. The fraction of [4]Si(CO3)[4]Al increases with increasing pressure, while those of other bridging carbonate species decrease, indicating that the addition of CO2 may enhance mixing of Si and Al at high pressure. A noticeable change is not observed for 29Si NMR spectra for the carbon-bearing albite glasses with varying pressure at 1.5-6 GPa. These NMR results confirm that the densification mechanisms established for fluid-free, polymerized aluminosilicate melts can be applied to the carbon-bearing albite melts at high pressure. In contrast, the 29Si MAS NMR spectra for partially depolymerized, carbon-bearing NS3 glasses show that the fraction of [5,6]Si increases with increasing pressure at the expense of Q3 species ([4]Si species with one non-bridging oxygen as the nearest neighbor). The pressure-induced increase in topological disorder around Si is evident from an

  7. Coke breakage behaviour in relation to its structure

    Peirce, T J; Horton, A E; Tucker, J

    1980-06-14

    The relationship between coke macrostructure and volumetric (coarse) breakage behaviour, and the manner in which both features are affected by the coal charge composition are discussed. Coke pieces which are extensively fissured fail spontaneously after only a few revolutions in the drum; coke pieces which are less fissured require an extended treatment in the drum and finally fail in a manner consistent with that of fatigue crack growth induced by repeated impact. This heterogeneity in breakage behaviour was demonstrated in terms of an abrupt change in gradient of the Weibull distribution function for the coke. Heterogeneity may be removed by fully stabilising the coke or by the use of a more energetic test method. The role of fatigue crack growth in coke breakage was studied by cutting fissures of defined depth in full stabilised coke and assessing the rate of crack growth as a function of fissure depth and fracture toughness. The form of the results was consistent with that given by the Paris-Erdogan law and the rate of crack growth (for a given stress intensity level) was shown to increase with reducing coke toughness. Explanations are suggested to account for the role of blend additives in modifying the fissured properties and fracture toughness of coke made from high-volatile coal.

  8. High-Pressure Oxygen Generation for Outpost EVA Study

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

    2009-01-01

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

  9. Study of magnetic, structural and magnetocaloric properties of La{sub 0.6}Pr{sub 0.4}Mn{sub 2}Si{sub 2} under high pressures and magnetic field

    Kaštil, J., E-mail: kastil@fzu.cz [Institute of Physics AS CR v.v.i., Na Slovance 2, 182 21 Prague 8 (Czech Republic); Arnold, Z. [Institute of Physics AS CR v.v.i., Na Slovance 2, 182 21 Prague 8 (Czech Republic); Isnard, O. [Centre national de la recherche scientifique (CNRS), Institut Néel, 25 rus des martyrs, F-38042 Grenoble (France); Université Grenoble Alpes, Institut Néel, F-38042 Grenoble (France); Skourski, Y. [Hochfeld-Magnetlabor Dresden (HLD), HZ Dresden-Rossendorf, D-01314 Dresden (Germany); Kamarád, J. [Institute of Physics AS CR v.v.i., Na Slovance 2, 182 21 Prague 8 (Czech Republic); Itié, J.P. [Synchrotron SOLEIL, L' Orme des Merisiers, Saint-Aubin, 91192 Gif-sur-Yvette (France)

    2017-02-15

    The structural, magnetic and magnetocaloric properties of La{sub 0.6}Pr{sub 0.4}Mn{sub 2}Si{sub 2} compound were measured in wide range of temperature, magnetic field and hydrostatic pressure. The structural study up to 10 GPa confirmed the existence of critical Mn-Mn distance 0.2883 nm for the ferromagnetic to antiferromagnetic transition at room temperature. The results demonstrated the crucial role of the volume in the suppression of the ferromagnetic phase above the transition temperature T{sub 1}=168 K under pressure. The huge pressure shift of the transition temperature T{sub 1}, dT{sub 1}/dp=230 K/GPa, was observed. Based on our magnetization measurement the low temperature transition at T{sub 2}=30 K is connected with reorientation of Mn moment and the rare-earth sublattice is not ordered in this case. The direct magnetocaloric measurement showed moderate values of the adiabatic temperature change connected with the magnetic transition at T{sub c} and T{sub 1} and confirmed the first order character of the transition at T{sub 1} and second order character of the transition at T{sub c}. - Highlights: • The huge pressure shift of the transition temperature dT{sub 1}/dp=230 K/GPa was observed. • Ferromagnetic order is suppressed by applying pressure of 1 GPa. • The direct magnetocaloric effect showed moderate values of ΔT{sub ad}.

  10. New perspectives on potential hydrogen storage materials using high pressure.

    Song, Yang

    2013-09-21

    In addressing the global demand for clean and renewable energy, hydrogen stands out as the most suitable candidate for many fuel applications that require practical and efficient storage of hydrogen. Supplementary to the traditional hydrogen storage methods and materials, the high-pressure technique has emerged as a novel and unique approach to developing new potential hydrogen storage materials. Static compression of materials may result in significant changes in the structures, properties and performance that are important for hydrogen storage applications, and often lead to the formation of unprecedented phases or complexes that have profound implications for hydrogen storage. In this perspective article, 22 types of representative potential hydrogen storage materials that belong to four major classes--simple hydride, complex hydride, chemical hydride and hydrogen containing materials--were reviewed. In particular, their structures, stabilities, and pressure-induced transformations, which were reported in recent experimental works together with supporting theoretical studies, were provided. The important contextual aspects pertinent to hydrogen storage associated with novel structures and transitions were discussed. Finally, the summary of the recent advances reviewed and the insight into the future research in this direction were given.

  11. Superconductivity of ternary metal compounds prepared at high pressures

    Shirotani, I

    2003-01-01

    Various ternary metal phosphides, arsenides, antimonides, silicides and germanides have been prepared at high temperatures and high pressures. These ternary metal compounds can be classified into four groups: [1] metal-rich compounds MM' sub 4 X sub 2 and [2] MM'X, [3] non-metal-rich compounds MXX' and [4] MM' sub 4 X sub 1 sub 2 (M and M' = metal element; X and X' = non-metal element). We have studied the electrical and magnetic properties of these materials at low temperatures, and found many new superconductors with the superconducting transition temperature (T sub c) of above 10 K. The metal-rich compound ZrRu sub 4 P sub 2 with a tetragonal structure showed the superconducting transition at around 11 K, and had an upper critical field (H sub c sub 2) of 12.2 tesla (T) at 0 K. Ternary equiatomic compounds ZrRuP and ZrRuSi crystallize in two modifications, a hexagonal Fe sub 2 P-type structure [h-ZrRuP(Si)] and an orthorhombic Co sub 2 P-type structure [o-ZrRuP(Si)]. Both h-ZrRuP and h-ZrRuSi have rather h...

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

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

    2008-07-01

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

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

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

    2008-07-15

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

  14. Viscosity of liquid sulfur under high pressure

    Terasaki, Hidenori; Kato, T; Funakoshi, K; Suzuki, A; Urakawa, S

    2004-01-01

    The viscosity of liquid sulfur up to 9.7 GPa and 1067 K was measured using the in situ x-ray radiography falling sphere method. The viscosity coefficients were found to range from 0.11 to 0.69 Pa s, and decreased continuously with increasing pressure under approximately constant homologous temperature conditions. The observed viscosity variation suggests that a gradual structural change occurs in liquid sulfur with pressure up to 10 GPa. The L-L' transition in liquid sulfur proposed by Brazhkin et al (1991 Phys. Lett. A 154 413) from thermobaric measurements has not been confirmed by the present viscometry

  15. A modernized high-pressure heater protection system for nuclear and thermal power stations

    Svyatkin, F. A.; Trifonov, N. N.; Ukhanova, M. G.; Tren'kin, V. B.; Koltunov, V. A.; Borovkov, A. I.; Klyavin, O. I.

    2013-09-01

    Experience gained from operation of high-pressure heaters and their protection systems serving to exclude ingress of water into the turbine is analyzed. A formula for determining the time for which the high-pressure heater shell steam space is filled when a rupture of tubes in it occurs is analyzed, and conclusions regarding the high-pressure heater design most advisable from this point of view are drawn. A typical structure of protection from increase of water level in the shell of high-pressure heaters used in domestically produced turbines for thermal and nuclear power stations is described, and examples illustrating this structure are given. Shortcomings of components used in the existing protection systems that may lead to an accident at the power station are considered. A modernized protection system intended to exclude the above-mentioned shortcomings was developed at the NPO Central Boiler-Turbine Institute and ZioMAR Engineering Company, and the design solutions used in this system are described. A mathematical model of the protection system's main elements (the admission and check valves) has been developed with participation of specialists from the St. Petersburg Polytechnic University, and a numerical investigation of these elements is carried out. The design version of surge tanks developed by specialists of the Central Boiler-Turbine Institute for excluding false operation of the high-pressure heater protection system is proposed.

  16. Self-regard in the structure of personality behavioural manifestations

    Nadia Levus

    2012-12-01

    Full Text Available The article focuses on the issue of self-regard connected with behavioural manifestations of personality. By means of comparative, correlation and factorial analysis it is proven that positive self-regard is accompanied by a decreasing level of suicidal risk as well as by creativity growth. Self-acceptance, positive attitude towards oneself ensures a harmonious existence and a high level of personality self-identifi cation. Higher level of self-regard is revealed in younger age categories where it is based on optimistic life prospects and a creative approach to solving life problems. Creativity combined with self-liking becomes a certain ability that helps overcome crisis situations and facilitates removal of personal peculiarities connected with proneness to suicide. Among the creative skills and abilities foregrounded are creative approach, creative imagination and creative intuition

  17. Overturning behaviour of nuclear power plant structures during earthquakes

    Dalal, J.S.; Perumalswami, P.R.

    1977-01-01

    Nuclear power plant structures are designed to withstand severe postulated seismic forces. Structures subjected to such forces may be found to ''overturn'', if the factor of safety is computed in the traditional way, treating these forces as static. This study considers the transient nature of the problem and draws distinction between rocking, tipping and overturning. Responses of typical nuclear power plant structures to earthquake motions are used to assess their overturning potential more realistically. Structures founded on both rock and soil are considered. It is demonstrated that the traditional factor of safety, when smaller than unity, indicates only minimal base rotations and not necessarily overturning. (auth.)

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

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

    2005-01-01

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

  19. A structural equation modelling approach examining the pathways between safety climate, behaviour performance and workplace slipping

    Swedler, David I; Verma, Santosh K; Huang, Yueng-Hsiang; Lombardi, David A; Chang, Wen-Ruey; Brennan, Melayne; Courtney, Theodore K

    2015-01-01

    Objective: Safety climate has previously been associated with increasing safe workplace behaviours and decreasing occupational injuries. This study seeks to understand the structural relationship between employees’ perceptions of safety climate, performing a safety behaviour (ie, wearing slip-resistant shoes) and risk of slipping in the setting of limited-service restaurants. Methods: At baseline, we surveyed 349 employees at 30 restaurants for their perceptions of their safety training and m...

  20. On the structural behaviour of variable-geometry oval-trajectory Darrieus wind turbines

    Otero, A.D. [College of Engineering, University of Buenos Aires, Paseo Colon 850, Buenos Aires C1063ACV (Argentina); Ponta, F.L. [Department of Mechanical Engineering - Engineering Mechanics, Michigan Technological University, 1400 Townsend Drive, Houghton, MI 49931 (United States)

    2009-03-15

    We developed a computational model based on a finite-element mixed formulation with quadratic isoparametric beam elements. We applied this model to the analysis of a blade-wagon: a novel structure characteristic of an innovative concept in wind-power called VGOT Darrieus turbine. We studied the structural behaviour of its main components: chassis, suspension and blade, using combinations of beam/bar elements in an appropriate assembling. We defined a set of parameters to characterize the structural behaviour which help to understand the contribution of the different components and assist the process of redesign. (author)

  1. Behaviour of concrete nuclear containment structures upto ultimate failure with special reference to MAPP-1 containment

    Appa Rao, T.V.S.R.

    1975-01-01

    Theoretical and experimental methods for investigating the behaviour of concrete secondary containment structures subjected to loads upto their ultimate failure have been discussed in the paper. Need for inelastic nonlinear analysis of containments has been emphasized. Different contitutive models of concrete that can be employed in the nonlinear analysis of concrete structures were briefly reviewed. Based on the experimental results obtained in a 1:12 scale model test conducted at the Structural Engineering Research (Regional) Centre, Madras, behaviour of the MAPP-1 containment to internal pressure loading upto its ultimate failure has been discussed. (author)

  2. Guidelines for Applying Cohesive Models to the Damage Behaviour of Engineering Materials and Structures

    Schwalbe, Karl-Heinz; Cornec, Alfred

    2013-01-01

    This brief provides guidance for the application of cohesive models to determine damage and fracture in materials and structural components. This can be done for configurations with or without a pre-existing crack. Although the brief addresses structural behaviour, the methods described herein may also be applied to any deformation induced material damage and failure, e.g. those occurring during manufacturing processes. The methods described are applicable to the behaviour of ductile metallic materials and structural components made thereof. Hints are also given for applying the cohesive model to other materials.

  3. On the behaviour of DIS structure function ratio R(x, Q2) at small x

    Kotikov, A.V.

    1993-01-01

    The behaviour of deep inelastic structure functions is studied at small x in the leading and next-to-leading orders of perturbation theory. The scheme-invariant analysis for the longitudinal and transverse structure functions ratio R(x, Q 2 ), is given. It is found that this ratio tends to zero asymptotically when x -> 0. (author). 12 refs.; 1 fig

  4. Future directions in high-pressure neutron diffraction

    Guthrie, M.

    2015-04-01

    The ability to manipulate structure and properties using pressure has been well known for many centuries. Diffraction provides the unique ability to observe these structural changes in fine detail on lengthscales spanning atomic to nanometre dimensions. Amongst the broad suite of diffraction tools available today, neutrons provide unique capabilities of fundamental importance. However, to date, the growth of neutron diffraction under extremes of pressure has been limited by the weakness of available sources. In recent years, substantial government investments have led to the construction of a new generation of neutron sources while existing facilities have been revitalized by upgrades. The timely convergence of these bright facilities with new pressure-cell technologies suggests that the field of high-pressure (HP) neutron science is on the cusp of substantial growth. Here, the history of HP neutron research is examined with the hope of gleaning an accurate prediction of where some of these revolutionary capabilities will lead in the near future. In particular, a dramatic expansion of current pressure-temperature range is likely, with corresponding increased scope for extreme-conditions science with neutron diffraction. This increase in coverage will be matched with improvements in data quality. Furthermore, we can also expect broad new capabilities beyond diffraction, including in neutron imaging, small angle scattering and inelastic spectroscopy.

  5. Application of ultra high pressure (UHP) in starch chemistry.

    Kim, Hyun-Seok; Kim, Byung-Yong; Baik, Moo-Yeol

    2012-01-01

    Ultra high pressure (UHP) processing is an attractive non-thermal technique for food treatment and preservation at room temperature, with the potential to achieve interesting functional effects. The majority of UHP process applications in food systems have focused on shelf-life extension associated with non-thermal sterilization and a reduction or increase in enzymatic activity. Only a few studies have investigated modifications of structural characteristics and/or protein functionalities. Despite the rapid expansion of UHP applications in food systems, limited information is available on the effects of UHP on the structural and physicochemical properties of starch and/or its chemical derivatives included in most processed foods as major ingredients or minor additives. Starch and its chemical derivatives are responsible for textural and physical properties of food systems, impacting their end-use quality and/or shelf-life. This article reviews UHP processes for native (unmodified) starch granules and their effects on the physicochemical properties of UHP-treated starch. Furthermore, functional roles of UHP in acid-hydrolysis, hydroxypropylation, acetylation, and cross-linking reactions of starch granules, as well as the physicochemical properties of UHP-assisted starch chemical derivatives, are discussed.

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

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

    2018-06-01

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

  7. Phosphorous dimerization in GaP high-pressure polymorph

    Lavina, Barbara [Univ. of Nevada, Las Vegas, NV (United States). High Pressure Science and Engineering Center (HiPSEC), Dept. of Physics and Astronomy; Kim, Eunja [Univ. of Nevada, Las Vegas, NV (United States). Dept. of Physics and Astronomy; Cynn, Hyunchae [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Weck, Philippe F [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Seaborg, Kelly [Univ. of Nevada, Las Vegas, NV (United States). High Pressure Science and Engineering Center (HiPSEC), Dept. of Physics and Astronomy; Siska, Emily [Univ. of Nevada, Las Vegas, NV (United States). High Pressure Science and Engineering Center (HiPSEC); Meng, Yue [Carnegie Inst. of Washington, Argonne, IL (United States). Geophysical Lab., High Pressure Collaborative Access Team (HPCAT); Evans, Williams [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2016-06-01

    We report on the experimental and theoretical characterization of a novel GaP polymorph formed by laser heating of a single crystal of GaP-II in its stable region near 43 GPa. Thereby formed unstrained multigrain sample at 43 GPa and 1300 K, allowed high-resolution crystallographic analysis. We find an oS24 as an energetically optimized crystal structure contrary to oS8 reported by Nelmes et al. (1997). Our DFT calculation confirms a stable existence of oS24 between 18 – 50 GPa. The emergence of the oS24 structure is related to the differentiation of phosphorous atoms between those forming P-P dimers and those forming P-Ga bonds only. Bonding anisotropy explains the symmetry lowering with respect to what is generally expected for semiconductors high-pressure polymorphs. The metallization of GaP does not occur through a uniform change of the nature of its bonds but through the formation of an anisotropic phase containing different bond types.

  8. Safety analysis of high pressure gasous fuel container punctures

    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.

  9. High-pressure system for Compton scattering experiments

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

    1998-01-01

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

  10. Safety supervision on high-pressure gas regulations

    Lee, Won Il

    1991-01-01

    The first part lists the regulation on safety supervision of high-pressure gas, enforcement ordinance on high-pressure gas safety supervision and enforcement regulations about high-pressure gas safety supervision. The second part indicates safety regulations on liquefied petroleum gas and business, enforcement ordinance of safety on liquefied petroleum gas and business, enforcement regulation of safety supervision over liquefied petroleum gas and business. The third part lists regulation on gas business, enforcement ordinance and enforcement regulations on gas business. Each part has theory and explanation for questions.

  11. Structure and superparamagnetic behaviour of magnetite nanoparticles in cellulose beads

    Correa, Jose R., E-mail: correa@fq.uh.cu [Department of General Chemistry, Faculty of Chemistry, University of Havana, Zapata and G, Havana City 10400 (Cuba); Bordallo, Eduardo [Sugar Cane-Cellulose Research Center, Cuba-9, Quivican (Cuba); Canetti, Dora [Department of Inorganic Chemistry, Faculty of Chemistry, University of Havana, Zapata and G, Havana City 10400 (Cuba); Leon, Vivian [Sugar Cane-Cellulose Research Center, Cuba-9, Quivican (Cuba); Otero-Diaz, Luis C. [Department of Inorganic Chemistry-1, Complutense University of Madrid, Madrid 28040 (Spain); Electron Microscopy Center, Complutense University of Madrid, Madrid 28040 (Spain); Negro, Carlos [Chemical Engineering Department, Complutense University of Madrid, Madrid 28040 (Spain); Gomez, Adrian [Electron Microscopy Center, Complutense University of Madrid, Madrid 28040 (Spain); Saez-Puche, Regino [Department of Inorganic Chemistry-1, Complutense University of Madrid, Madrid 28040 (Spain)

    2010-08-15

    Superparamagnetic magnetite nanoparticles were obtained starting from a mixture of iron(II) and iron(III) solutions in a preset total iron concentration from 0.04 to 0.8 mol l{sup -1} with ammonia at 25 and 70 {sup o}C. The regeneration of cellulose from viscose produces micrometrical spherical cellulose beads in which synthetic magnetite were embedded. The characterization of cellulose-magnetite beads by X-ray diffraction, Scanning and Transmission Electron Microscopy and magnetic measurement is reported. X-ray diffraction patterns indicate that the higher is the total iron concentration and temperature the higher is the crystal size of the magnetite obtained. Transmission Electron Microscopy studies of cellulose-magnetite beads revealed the distribution of magnetite nanoparticles inside pores of hundred nanometers. Magnetite as well as the cellulose-magnetite composites exhibit superparamagnetic characteristics. Field cooling and zero field cooling magnetic susceptibility measurements confirm the superparamagnetic behaviour and the blocking temperature for the magnetite with a mean size of 12.5 nm, which is 200 K.

  12. Modelling of cracking and inelastic behaviour of reinforced concrete structures

    Young, A.G.; Albana, M.O.

    1989-09-01

    The report contains a review of work available in the literature on local bond transfer and the main factors which influence it, involving deformed reinfocing bar. Possible load transfer mechanisms are investigated and the significance of secondary cracking, local consolidation and shearing assessed. On the basis of these studies a linkage element which realistically models bond action, and is applicable to both monotonic and cyclic load, is proposed. Its ability to accurately predict stress, strain and crack geometry in typical reinforced concrete components is demonstrated by comparison of the results of finite element analysis using this model with experimental data. Aspects requiring further research are identified. An analysis of the dynamic response of a reinforced concrete beam is given which makes the simplifying assumption of rigid-plastic behaviour. A comparison of the analytical solution with experimental results obtained by bend tests in the Large Dynamic Test Facility at Ispra shows that, despite the neglect of elastic vibrations, a reasonable prediction of the fundamental response is obtained providing due allowance is made for rate-of-strain effects

  13. Elasticity of stishovite at high pressure

    Li, Baosheng; Rigden, Sally M.; Liebermann, Robert C.

    1996-08-01

    The elastic-wave velocities of stishovite, the rutile-structured polymorph of SiO 2, were measured to 3 GPa at room temperature in a piston cylinder apparatus using ultrasonic interferometry on polycrystalline samples. These polycrystalline samples (2-3 mm in length and diameter) were hot-pressed at 14 GPa and 1050°C in a 2000 ton uniaxial split-sphere apparatus (USSA-2000) using fused silica rods as starting material. They were characterized as low porosity (less than 1%), single phase, fine grained, free of cracks and preferred orientation, and acoustically isotropic by using density measurement, X-ray diffraction, scanning electron microscopy, and bench-top velocity measurements. On the basis of subsequent in situ X-ray diffraction study at high P and T on peak broadening on similar specimens, it is evident that the single crystal grains within these polycrystalline aggregates are well equilibrated and that these specimens are free of residual strain. P- and S-wave velocities measured at 1 atm are within 1.5% of the Hashin-Shtrikman bounds calculated from single-crystal elastic moduli. Measured pressure derivatives of the bulk and shear moduli, K' 0 = 5.3 ± 0.1 and G' 0 = 1.8 ± 0.1, are not unusual compared with values measured for other transition zone phases such as silicate spinel and majorite garnet. Isothermal compression curves calculated with the measured values of K0 and K' 0 agree well with experimental P-V data to 16 GPa. The experimental value of dG /dP is in excellent agreement with predictions based on elasticity systematics. Theoretical models are not yet able to replicate the measured values of K' 0 and G' 0.

  14. Dynamical soil-structure interactions: influence of soil behaviour nonlinearities

    Gandomzadeh, Ali

    2011-01-01

    The interaction of the soil with the structure has been largely explored the assumption of material and geometrical linearity of the soil. Nevertheless, for moderate or strong seismic events, the maximum shear strain can easily reach the elastic limit of the soil behavior. Considering soil-structure interaction, the nonlinear effects may change the soil stiffness at the base of the structure and therefore energy dissipation into the soil. Consequently, ignoring the nonlinear characteristics of the dynamic soil-structure interaction (DSSI) this phenomenon could lead to erroneous predictions of structural response. The goal of this work is to implement a fully nonlinear constitutive model for soils into a numerical code in order to investigate the effect of soil nonlinearity on dynamic soil structure interaction. Moreover, different issues are taken into account such as the effect of confining stress on the shear modulus of the soil, initial static condition, contact elements in the soil-structure interface, etc. During this work, a simple absorbing layer method based on a Rayleigh/Caughey damping formulation, which is often already available in existing Finite Element softwares, is also presented. The stability conditions of the wave propagation problems are studied and it is shown that the linear and nonlinear behavior are very different when dealing with numerical dispersion. It is shown that the 10 points per wavelength rule, recommended in the literature for the elastic media is not sufficient for the nonlinear case. The implemented model is first numerically verified by comparing the results with other known numerical codes. Afterward, a parametric study is carried out for different types of structures and various soil profiles to characterize nonlinear effects. Different features of the DSSI are compared to the linear case: modification of the amplitude and frequency content of the waves propagated into the soil, fundamental frequency, energy dissipation in

  15. Design and performance of high-pressure PLANET beamline at pulsed neutron source at J-PARC

    Hattori, T.; Sano-Furukawa, A. [J-PARC Center, Japan Atomic Energy Agency, Tokai, Naka, Ibaraki 319-1195 (Japan); Quantum Beam Science Center, Japan Atomic Energy Agency, Tokai, Naka, Ibaraki 319-1195 (Japan); Arima, H. [Institute for Materials Research, Tohoku University, Sendai 980-8577 (Japan); Komatsu, K. [Geochemical Research Center, Graduate School of Science, The University of Tokyo, Tokyo 113-0033 (Japan); Yamada, A. [University of Shiga Prefecture, Shiga 522-8533 (Japan); Inamura, Y.; Nakatani, T. [J-PARC Center, Japan Atomic Energy Agency, Tokai, Naka, Ibaraki 319-1195 (Japan); Seto, Y. [Graduate School of Science, Kobe University, Kobe 657-8501 (Japan); Nagai, T. [Faculty of Science, Hokkaido University, Sapporo 060-0810 (Japan); Utsumi, W. [Quantum Beam Science Center, Japan Atomic Energy Agency, Tokai, Naka, Ibaraki 319-1195 (Japan); Iitaka, T. [Computational Astrophysics Laboratory, RIKEN, Saitama 351-0198 (Japan); Kagi, H. [Geochemical Research Center, Graduate School of Science, The University of Tokyo, Tokyo 113-0033 (Japan); Katayama, Y. [Quantum Beam Science Center, Japan Atomic Energy Agency, Tokai, Naka, Ibaraki 319-1195 (Japan); Inoue, T. [Geodynamic Research Center, Ehime University, Matsuyama 790-8577 (Japan); Otomo, T. [J-PARC Center, Japan Atomic Energy Agency, Tokai, Naka, Ibaraki 319-1195 (Japan); Institute of Materials Structure Science, High Energy Accelerator Research Organization (KEK), Tsukuba, Ibaraki 205-001 (Japan); Suzuya, K. [J-PARC Center, Japan Atomic Energy Agency, Tokai, Naka, Ibaraki 319-1195 (Japan); Kamiyama, T. [J-PARC Center, Japan Atomic Energy Agency, Tokai, Naka, Ibaraki 319-1195 (Japan); Institute of Materials Structure Science, High Energy Accelerator Research Organization (KEK), Tsukuba, Ibaraki 205-001 (Japan); Arai, M. [J-PARC Center, Japan Atomic Energy Agency, Tokai, Naka, Ibaraki 319-1195 (Japan); Yagi, T. [Geochemical Research Center, Graduate School of Science, The University of Tokyo, Tokyo 113-0033 (Japan)

    2015-04-21

    PLANET is a time-of-flight (ToF) neutron beamline dedicated to high-pressure and high-temperature experiments. The large six-axis multi-anvil high-pressure press designed for ToF neutron diffraction experiments enables routine data collection at high pressures and high temperatures up to 10 GPa and 2000 K, respectively. To obtain clean data, the beamline is equipped with the incident slits and receiving collimators to eliminate parasitic scattering from the high-pressure cell assembly. The high performance of the diffractometer for the resolution (Δd/d~0.6%) and the accessible d-spacing range (0.2–8.4 Å) together with low-parasitic scattering characteristics enables precise structure determination of crystals and liquids under high pressure and temperature conditions.

  16. Design and performance of high-pressure PLANET beamline at pulsed neutron source at J-PARC

    Hattori, T.; Sano-Furukawa, A.; Arima, H.; Komatsu, K.; Yamada, A.; Inamura, Y.; Nakatani, T.; Seto, Y.; Nagai, T.; Utsumi, W.; Iitaka, T.; Kagi, H.; Katayama, Y.; Inoue, T.; Otomo, T.; Suzuya, K.; Kamiyama, T.; Arai, M.; Yagi, T.

    2015-01-01

    PLANET is a time-of-flight (ToF) neutron beamline dedicated to high-pressure and high-temperature experiments. The large six-axis multi-anvil high-pressure press designed for ToF neutron diffraction experiments enables routine data collection at high pressures and high temperatures up to 10 GPa and 2000 K, respectively. To obtain clean data, the beamline is equipped with the incident slits and receiving collimators to eliminate parasitic scattering from the high-pressure cell assembly. The high performance of the diffractometer for the resolution (Δd/d~0.6%) and the accessible d-spacing range (0.2–8.4 Å) together with low-parasitic scattering characteristics enables precise structure determination of crystals and liquids under high pressure and temperature conditions

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

    Paszkowicz, W.

    2002-01-01

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

  18. Synthesis and morphology of iron-iron oxide core-shell nanoparticles produced by high pressure gas condensation

    Xing, Lijuan; ten Brink, Gert H.; Chen, Bin; Schmidt, Franz P.; Haberfehlner, Georg; Hofer, Ferdinand; Kooi, Bart J.; Palasantzas, Georgios

    2016-01-01

    Core-shell structured Fe nanoparticles (NPs) produced by high pressure magnetron sputtering gas condensation were studied using transmission electron microscopy (TEM) techniques, electron diffraction, electron energy-loss spectroscopy (EELS), tomographic reconstruction, and Wulff shape construction

  19. High pressure synthesis of ThB/sub 12/ and HfB/sub 12/

    Cannon, J F; Farnsworth, P B [Brigham Young Univ., Provo, UT (USA). Dept. of Chemistry

    1938-08-01

    High pressure synthesis techniques were used to prepare ThB/sub 12/ and HfB/sub 12/. These compounds have the cubic UB/sub 12/-type structure with lattice parameters 7.612(1) A and 7.377(2) A respectively. The relationship between the lattice parameter for UB/sub 12/-type dodecaborides and the coordination number 12 radius of the metal atom differs for lanthanide, actinide and transition metal atoms. The prediction is made that it is possible to prepare AmB/sub 12/ at high pressures.

  20. High-pressure structural behavior of nanocrystalline Ge

    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...