Sample records for accompanying high-pressure phase

  1. Path Dependency of High Pressure Phase Transformations (United States)

    Cerreta, Ellen


    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.

  2. Phase Evolution of Hydrous Enstatite at High Pressures and Temperatures (United States)

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


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

  3. A High-Pressure Phase Transition of Calcite-III (United States)

    Catalli, K. C.; Williams, Q.


    We document the presence of a high-pressure phase transition in metastable calcite-III using infrared spectroscopy. The post-calcite-III transition initiates at a pressure of 15.5 (±2) GPa, and is completed between 25 and 30 GPa. The transition is particularly apparent in the ν4-in-plane bending vibration of the carbonate group, in which two new peaks gradually supplant the doublet associated with calcite-III. Furthermore, both the ν3-asymmetric and ν1-symmetric stretches of the carbonate group in the high-pressure phase appear at considerably lower frequencies than the extrapolated positions of the corresponding calcite-III peaks. The geometry of the carbonate unit within the high-pressure phase is likely closer to trigonal symmetry than in the calcite-III structure, and the C-O bond is probably longer than in the lower pressure calcite-III phase.

  4. Phase diagram of Nitrogen at high pressures and temperatures (United States)

    Jenei, Zsolt; Lin, Jung-Fu; Yoo, Choong-Shik


    Nitrogen is a typical molecular solid with relatively weak van der Waals intermolecular interactions but strong intramolecular interaction arising from the second highest binding energy of all diatomic molecules. The phase diagram of solid nitrogen is, however, complicated at high pressures, as inter-molecular interaction becomes comparable to the intra-molecular interaction. In this paper, we present an updated phase diagram of the nitrogen in the pressure-temperature region of 100 GPa and 1000 K, based on in-situ Raman and synchrotron x-ray diffraction studies using externally heated membrane diamond anvil cells. While providing an extension of the phase diagram, our results indicate a ``steeper'' slope of the δ/ɛ phase boundary than previously determined^1. We also studied the stability of the ɛ phase at high pressures and temperatures. Our new experimental results improve the understanding of the Nitrogen phase diagram. 1. Gregoryanz et al, Phys. Rev. B 66, 224108 (2002)

  5. Collision condition indicted by High Pressure Phases in a Chondrite (United States)

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


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

  6. Theoretical Predictions of Phase Transitions at Ultra-high Pressures (United States)

    Boates, Brian


    We present ab initio calculations of the high-pressure phase diagrams of important planetary materials such as CO2, MgSiO3, and MgO. For CO2, we predict a series of distinct liquid phases over a wide pressure (P) and temperature (T) range, including a first-order transition to a dense polymer liquid. We have computed finite-temperature free energies of liquid and solid CO2 phases to determine the melting curve beyond existing measurements and investigate possible phase separation transitions. The interaction of these phase boundaries with the mantle geotherm will also be discussed. Furthermore, we find evidence for a vast pressure-temperature regime where molten MgSiO3 decomposes into liquid SiO2 and solid MgO, with a volume change of approximately 1.2 percent. The demixing transition is driven by the crystallization of MgO ? the reaction only occurs below the high-pressure MgO melting curve. The predicted transition pressure at 10,000 K is in close proximity to an anomaly reported in recent laser-driven shock experiments of MgSiO3. We also present new results for the high-pressure melting curve of MgO and its B1-B2 solid phase transition, with a triple point near 364 GPa and 12,000 K.

  7. Shock Recovery of the High Pressure Phase Bismuth III (United States)

    Fussell, Zachary; Tschauner, Oliver; Hawkins, Cameron; Ma, Chi; Smith, Jesse; Advanced Photon Source Team; California Institution of Technology Team; National Security Technologies Team; University of Nevada, Las Vegas Team


    Between 0 and 10 GPa there are five different bismuth phases. High-pressure bismuth (Bi) phases have been examined in static compression experiments; however, none could be recovered to ambient conditions. Here we report Bi-III recovery (stable above 3 GPa) to ambient conditions from a shock compression experiment to 5.7 GPa. Bi-III was identified by synchrotron micro-diffraction and backscatter electron imaging. Our work shows shock-compression provides a tool for recovering high-pressure phases that otherwise elude decompression. This work supported by National Security Technologies, LLC, under Contract No. DE-AC52-06NA25946 with the U.S. Department of Energy and by the Site-Directed Research and Development Program. DOE/NV/25946-3070.

  8. Elasticity of methane hydrate phases at high pressure. (United States)

    Beam, Jennifer; Yang, Jing; Liu, Jin; Liu, Chujie; Lin, Jung-Fu


    Determination of the full elastic constants (cij) of methane hydrates (MHs) at extreme pressure-temperature environments is essential to our understanding of the elastic, thermodynamic, and mechanical properties of methane in MH reservoirs on Earth and icy satellites in the solar system. Here, we have investigated the elastic properties of singe-crystal cubic MH-sI, hexagonal MH-II, and orthorhombic MH-III phases at high pressures in a diamond anvil cell. Brillouin light scattering measurements, together with complimentary equation of state (pressure-density) results from X-ray diffraction and methane site occupancies in MH from Raman spectroscopy, were used to derive elastic constants of MH-sI, MH-II, and MH-III phases at high pressures. Analysis of the elastic constants for MH-sI and MH-II showed intriguing similarities and differences between the phases' compressional wave velocity anisotropy and shear wave velocity anisotropy. Our results show that these high-pressure MH phases can exhibit distinct elastic, thermodynamic, and mechanical properties at relevant environments of their respective natural reservoirs. These results provide new insight into the determination of how much methane exists in MH reservoirs on Earth and on icy satellites elsewhere in the solar system and put constraints on the pressure and temperature conditions of their environment.

  9. High pressure structural phase transitions of PbPo

    Energy Technology Data Exchange (ETDEWEB)

    Bencherif, Y.; Boukra, A. [Departement de Physique, Faculte des Sciences, Universite de Mostaganem (Algeria); Departement de Physique, Universite des Sciences et de la Technologie d' Oran, USTO, Oran (Algeria); Zaoui, A., E-mail: [Universite Lille Nord de France, LGCgE (EA 4515) Lille1, Polytech' Lille, Cite Scientifique, Avenue Paul Langevin, 59655 Villeneuve D' Ascq Cedex (France); Ferhat, M. [Departement de Physique, Universite des Sciences et de la Technologie d' Oran, USTO, Oran (Algeria)


    First-principles calculations have been performed to investigate the high pressure phase transitions and dynamical properties of the less known lead polonium compound. The calculated ground state parameters for the NaCl phase show good agreement with the experimental data. The obtained results show that the intermediate phase transition for this compound is the orthorhombic Pnma phase. The PbPo undergoes from the rocksalt to Pnma phase at 4.20 GPa. Further structural phase transition from intermediate to CsCl phase has been found at 8.5 GPa. In addition, phonon dispersion spectra were derived from linear-response to density functional theory. In particular, we show that the dynamical properties of PbPo exhibit some peculiar features compared to other III-V compounds. Finally, thermodynamics properties have been also addressed from quasiharmonic approximation.

  10. A subdivision algorithm for phase equilibrium calculations at high pressures

    Directory of Open Access Journals (Sweden)

    M. L. Corazza


    Full Text Available Phase equilibrium calculations at high pressures have been a continuous challenge for scientists and engineers. Traditionally, this task has been performed by solving a system of nonlinear algebraic equations originating from isofugacity equations. The reliability and accuracy of the solutions are strongly dependent on the initial guess, especially due to the fact that the phase equilibrium problems frequently have multiple roots. This work is focused on the application of a subdivision algorithm for thermodynamic calculations at high pressures. The subdivision algorithm consists in the application of successive subdivisions at a given initial interval (rectangle of variables and a systematic test to verify the existence of roots in each subinterval. If the interval checked passes in the test, then it is retained; otherwise it is discharged. The algorithm was applied for vapor-liquid, solid-fluid and solid-vapor-liquid equilibrium as well as for phase stability calculations for binary and multicomponent systems. The results show that the proposed algorithm was capable of finding all roots of all high-pressure thermodynamic problems investigated, independent of the initial guess used.

  11. Elasticity of methane hydrate phases at high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Beam, Jennifer; Yang, Jing; Liu, Jin [Department of Geological Sciences, Jackson School of Geosciences, The University of Texas at Austin, Austin, Texas 78712 (United States); Liu, Chujie [Laboratory of Seismology and Physics of Earth’s Interior, School of Earth and Space Sciences, University of Science and Technology of China, Hefei, Anhui 230026 (China); Lin, Jung-Fu, E-mail: [Department of Geological Sciences, Jackson School of Geosciences, The University of Texas at Austin, Austin, Texas 78712 (United States); Center for High Pressure Science and Advanced Technology Research (HPSTAR), Shanghai 201203 (China)


    Determination of the full elastic constants (c{sub ij}) of methane hydrates (MHs) at extreme pressure-temperature environments is essential to our understanding of the elastic, thermodynamic, and mechanical properties of methane in MH reservoirs on Earth and icy satellites in the solar system. Here, we have investigated the elastic properties of singe-crystal cubic MH-sI, hexagonal MH-II, and orthorhombic MH-III phases at high pressures in a diamond anvil cell. Brillouin light scattering measurements, together with complimentary equation of state (pressure-density) results from X-ray diffraction and methane site occupancies in MH from Raman spectroscopy, were used to derive elastic constants of MH-sI, MH-II, and MH-III phases at high pressures. Analysis of the elastic constants for MH-sI and MH-II showed intriguing similarities and differences between the phases′ compressional wave velocity anisotropy and shear wave velocity anisotropy. Our results show that these high-pressure MH phases can exhibit distinct elastic, thermodynamic, and mechanical properties at relevant environments of their respective natural reservoirs. These results provide new insight into the determination of how much methane exists in MH reservoirs on Earth and on icy satellites elsewhere in the solar system and put constraints on the pressure and temperature conditions of their environment.

  12. The phase stability of terephthalic acid under high pressure (United States)

    Sun, Lin; Zhao, Yue; Shang, Yujie; Sun, Chenglin; Zhou, Mi


    Terephthalic acid has been investigated by Raman spectroscopy up to 15 GPa. According to ab initio calculations, it can be speculated that both of π-π stacking interactions between molecules and the symmetry of hydrogen bonds are enhanced with gradually increasing pressure. Furthermore, we use the Hirshfeld surface to map the π-π stacking interaction in the TPA molecule at high pressure. The Raman spectra and ab initio calculation results indicate that the phase stability of TPA is related to the one-dimensional hydrogen bond network and inter-chain aromatic π-π stacking interaction.

  13. Structural Phase Transition of ThC Under High Pressure. (United States)

    Yu, Cun; Lin, Jun; Huai, Ping; Guo, Yongliang; Ke, Xuezhi; Yu, Xiaohe; Yang, Ke; Li, Nana; Yang, Wenge; Sun, Baoxing; Xie, Ruobing; Xu, Hongjie


    Thorium monocarbide (ThC) as a potential fuel for next generation nuclear reactor has been subjected to its structural stability investigation under high pressure, and so far no one reported the observation of structure phase transition induced by pressure. Here, utilizing the synchrotron X-ray diffraction technique, we for the first time, experimentally revealed the phase transition of ThC from B1 to P4/nmm at pressure of ~58 GPa at ambient temperature. A volume collapse of 10.2% was estimated during the phase transition. A modulus of 147 GPa for ThC at ambient pressure was obtained and the stoichiometry was attributed to the discrepancy of this value to the previous reports.

  14. Dense superconducting phases of copper-bismuth at high pressure (United States)

    Amsler, Maximilian; Wolverton, Chris


    Although copper and bismuth do not form any compounds at ambient conditions, two intermetallics, CuBi and Cu11Bi7 , were recently synthesized at high pressures. Here we report on the discovery of additional copper-bismuth phases at elevated pressures with high densities from ab initio calculations. In particular, a Cu2Bi compound is found to be thermodynamically stable at pressures above 59 GPa, crystallizing in the cubic Laves structure. In strong contrast to Cu11Bi7 and CuBi, cubic Cu2Bi does not exhibit any voids or channels. Since the bismuth lone pairs in cubic Cu2Bi are stereochemically inactive, the constituent elements can be closely packed and a high density of 10.52 g/cm3 at 0 GPa is achieved. The moderate electron-phonon coupling of λ =0.68 leads to a superconducting temperature of 2 K, which exceeds the values observed both in Cu11Bi7 and CuBi, as well as in elemental Cu and Bi.

  15. The high-pressure phase of CePtAl

    Energy Technology Data Exchange (ETDEWEB)

    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


    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.

  16. High-pressure fluid phase equilibria phenomenology and computation

    CERN Document Server

    Deiters, Ulrich K


    The book begins with an overview of the phase diagrams of fluid mixtures (fluid = liquid, gas, or supercritical state), which can show an astonishing variety when elevated pressures are taken into account; phenomena like retrograde condensation (single and double) and azeotropy (normal and double) are discussed. It then gives an introduction into the relevant thermodynamic equations for fluid mixtures, including some that are rarely found in modern textbooks, and shows how they can they be used to compute phase diagrams and related properties. This chapter gives a consistent and axiomatic approach to fluid thermodynamics; it avoids using activity coefficients. Further chapters are dedicated to solid-fluid phase equilibria and global phase diagrams (systematic search for phase diagram classes). The appendix contains numerical algorithms needed for the computations. The book thus enables the reader to create or improve computer programs for the calculation of fluid phase diagrams. introduces phase diagram class...

  17. Oxygen at high pressures: a theoretical approach to monoatomic phases. (United States)

    Oda, T; Sugimori, K; Nagao, H; Hamada, I; Kagayama, S; Geshi, M; Nagara, H; Kusakabe, K; Suzuki, N


    We have studied the ζ-phase of solid oxygen using the generalized gradient approximation in the density functional approach. Calculations of total energies and pressures have been carried out for the prototype of diatomic ζ-phase and other hypothetical monoatomic crystal structures. The diatomic phase was found to be stable over a wide range of pressure (100-2000 GPa). The stacking of molecular layers is discussed in comparison with the available experimental data.

  18. High pressure phase transitions for CdSe

    Indian Academy of Sciences (India)

    The structure and pressure-induced phase transitions for CdSe are investigated using first-principles calculations. The pressure-induced phase transition sequence WZ/ZB → Rs → → CsCl for CdSe is drawn reasonably for the fist time, the corresponding transition pressures are 3.8, 29 and 107 GPa, respectively and ...

  19. Phase transition of solid bismuth under high pressure (United States)

    Chen, Hai-Yan; Xiang, Shi-Kai; Yan, Xiao-Zhen; Zheng, Li-Rong; Zhang, Yi; Liu, Sheng-Gang; Bi, Yan


    As a widely used pressure calibrator, the structural phase transitions of bismuth from phase I, to phase II, to phase III, and then to phase V with increasing pressure at 300 K have been widely confirmed. However, there are different structural versions for phase III, most of which are determined by x-ray diffraction (XRD) technology. Using x-ray absorption fine structure (XAFS) measurements combined with ab initio calculations, we show that the proposed incommensurate composite structure of bismuth of the three configurations is the best option. An abnormal continuous increase of the nearest-neighbor distance of phase III with elevated pressure is also observed. The electronic structure transformation from semimetal to metal is responsible for the complex behavior of structure transformation. Project supported by the National Natural Science Foundation of China (Grant Nos. 10904133, 11304294, 11274281, 11404006, and U1230201), the Development Foundation of China Academy of Engineering Physics (Grant Nos. 2015B0101004, 2013B0401062, and 2012A0101001), the Research Foundation of the Laboratory of Shock Wave and Detonation, China (Grant No. 9140C670201140C67282).

  20. Preparation of high-pressure phase boron nitride films by physical vapor deposition

    CERN Document Server

    Zhu, P W; Zhao, Y N; Li, D M; Liu, H W; Zou Guang Tian


    The high-pressure phases boron nitride films together with cubic, wurtzic, and explosive high-pressure phases, were successfully deposited on the metal alloy substrates by tuned substrate radio frequency magnetron sputtering. The percentage of cubic boron nitride phase in the film was about 50% as calculated by Fourier transform infrared measurements. Infrared peak position of cubic boron nitride at 1006.3 cm sup - sup 1 , which is close to the stressless state, indicates that the film has very low internal stress. Transition electron microscope micrograph shows that pure cubic boron nitride phase exits on the surface of the film. The growth mechanism of the BN films was also discussed.

  1. Phase transitions in Cd3P2 at high pressures and high temperatures

    DEFF Research Database (Denmark)

    Yel'kin, F.S.; Sidorov, V.A.; Waskowska, A.


    The high-pressure, high-temperature structural behaviour of Cd3P2 has been studied using electrical resistance measurements, differential thermal analysis, thermo baric analysis and X-ray diffraction. At room temperature, a phase transformation is observed at 4.0 GPa in compression....... The experimental zero-pressure bulk modulus of the low-pressure phase is 64.7(7) GPa, which agrees quite well with the calculated value of 66.3 GPa using the tight-binding linear muffin-tin orbital method within the local density approximation. Tentatively, the high-pressure phase has an orthorhombic crystal...

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

    NARCIS (Netherlands)

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


    A solution method was developed to calculate the simultaneous phase and chemical equilibria in high-pressure methanol synthesis (P = 20 MPa, 463 phase and include dew point calculations. A modification of the

  3. High-pressure Al-rich hexagonal phases-What are their kin?

    DEFF Research Database (Denmark)

    Makovicky, Emil; Olsen, Lars Arnskov


    The hexagonal Al-rich high-pressure phases are members of a structural family with the same type of framework composed of double-ribbons of edge-sharing octahedra, but variably occupied trigonal and hexagonal channels. This family includes jaffeite, fluoborite, yeremeyevite, painite, and syntheti...... Ba indates. This kinship broadens the spectrum of elements potentially accommodated by these phases in the mantle....

  4. Structural control on displacive phase transitions in minerals at high pressures (United States)

    Miletich, Ronald


    High-pressure phase transformations resemble discontinuous thermodynamic and structural changes of materials, which can be assigned to configurational instabilities and lattice-related boundary conditions. In particular transformations, which are predominantely displacive in character, reveal structural control across the critical transition pressures through the structures of the polymorphs involved. Three examples of high-pressure phase transitions will be presented, which have been subject to a series of experimental studies at high pressures using diamond-anvil cells. The first example deals with clinopyroxenes, their static elasticities and elastic anomalies associated with occuring first-order transition. The example of spodumene will demonstrate in particular the structural role of the silicate-chain units, and exemplifies the pronounced deviation from conventional equation-of-state behaviour in the proximity of the critical transition pressure. The second example deals with the high-pressure phase transition of behoite and the structural control of hydrogen bridging on first-order transformations in simple (hydr)oxide phases. The third example will present the second-order transition in the silicate mineral benitoite, which has been chosen to demonstrate the need for high-precision single-crystal techniques in order to track down subtle structural changes related to high-pressure transitions.

  5. Superconducting phase prepared from Ta{sub 3}Si under high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Murao, R; Kusaba, K; Fukuoka, K; Sugiyama, K; Syono, Y [IMR, Tohoku University 2-1-1 Katahira, Aoba-ku, Sendai, Miyagi 980-8577 (Japan); Kikuchi, M [Kansei Fukushi Research Center, Tohoku Fukushi University1-8-1 Kunimi, Aoba-ku, Sendai, Miyagi 981-8522 (Japan); Atou, T [SMC, Materials and Structures Lab. Tokyo Tech. 4259 Nagatsuta-cho Midori-ku, Yokohama, Kanagawa 226-8503 (Japan); Kikegawa, T, E-mail: [IMSS, KEK, Oho 1-1, Tsukuba, Ibaraki 305-0801 (Japan)


    High-pressure behaviour of Ta{sub 3}Si intermetallic compound was investigated by shock compression and static compression methods. Superconducting phase with T{sub C} = 9.3 K was found in the sample shocked to 50-61 GPa, however most of the shock recovered sample indicated the starting stable phase with the Ti{sub 3}P-type structure. The new superconducting phase was not obtained from static compression up to 15 GPa and 800 {sup 0}C. Bulk modulus of Ta{sub 3}Si with the Ti{sub 3}P-type structure was determined to be K{sub 0} = 246(4) GPa. The present results suggest that a rapid phase transformation occurred during shock compression, but most of the high-pressure phase was reverted to the stable phase in the decompression process.

  6. Phase transitions in delafossite CuLaO{sub 2} at high pressures

    Energy Technology Data Exchange (ETDEWEB)

    Salke, Nilesh P.; Rao, Rekha, E-mail:; Gupta, M. K.; Mittal, R. [Solid State Physics Division, Bhabha Atomic Research Center, Mumbai 400 085 (India); Garg, Alka B. [High Pressure and Synchrotron Radiation Physics Division, Bhabha Atomic Research Center, Mumbai 400 085 (India); Achary, S. N.; Tyagi, A. K. [Chemistry Division, Bhabha Atomic Research Center, Mumbai 400 085 (India)


    Structural stability of a transparent conducting oxide CuLaO{sub 2} at high pressures is investigated using in-situ Raman spectroscopy, electrical resistance, and x-ray diffraction techniques. The present Raman investigations indicate a sequence of structural phase transitions at 1.8 GPa and 7 GPa. The compound remains in the first high pressure phase when pressure is released. Electrical resistance measurements carried out at high pressures confirm the second phase transition. These observations are further supported by powder x-ray diffraction at high pressures which also showed that a-axis is more compressible than c-axis in this compound. Fitting the pressure dependence of unit cell volume to 3{sup rd} order Birch-Murnaghan equation of state, zero pressure bulk modulus of CuLaO{sub 2} is determined to be 154(25) GPa. The vibrational properties in the ambient delafossite phase of CuLaO{sub 2} are investigated using ab-initio calculations of phonon frequencies to complement the Raman spectroscopic measurements. Temperature dependence of the Raman modes of CuLaO{sub 2} is investigated to estimate the anharmonicity of Raman modes.

  7. Phase changes of filled ice Ih methane hydrate under low temperature and high pressure. (United States)

    Tanaka, Takehiko; Hirai, Hisako; Matsuoka, Takahiro; Ohishi, Yasuo; Yagi, Takehiko; Ohtake, Michika; Yamamoto, Yoshitaka; Nakano, Satoshi; Irifune, Tetsuo


    Low-temperature and high-pressure experiments were performed with filled ice Ih structure of methane hydrate under 2.0-77.0 GPa and 30-300 K using diamond anvil cells and a helium-refrigeration cryostat. In situ X-ray diffractometry revealed distinct changes in the compressibility of the axial ratios of the host framework with pressure. Raman spectroscopy showed a split in the C-H vibration modes of the guest methane molecules, which was previously explained by the orientational ordering of the guest molecules. The pressure and temperature conditions at the split of the vibration modes agreed well with those of the compressibility change. The results indicate the following: (i) the orientational ordering of the guest methane molecules from an orientationally disordered state occurred at high pressures and low temperatures; and (ii) this guest ordering led to anisotropic contraction in the host framework. Such guest orientational ordering and subsequent anisotropic contraction of the host framework were similar to that reported previously for filled ice Ic hydrogen hydrate. Since phases with different guest-ordering manners were regarded as different phases, existing regions of the guest disordered-phase and the guest ordered-phase were roughly estimated by the X-ray study. In addition, above the pressure of the guest-ordered phase, another high-pressure phase developed in the low-temperature region. The deuterated-water host samples were also examined, and the influence of isotopic effects on guest ordering and phase transformation was observed.

  8. The influence of peak shock stress on the high pressure phase transformation in zirconium

    Directory of Open Access Journals (Sweden)

    Brown D.W.


    Full Text Available At high pressures zirconium is 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 is retained upon release. However, the hysteresis in this transformation is not well represented by equilibrium phase diagrams and currently models that accurately represent such a solid-solid phase transformation coupled with the multi-phase plasticity likely under shock conditions do not exist. For this reason, the influence of peak shock stress on the retention of omega phase in Zr is explored in this study. In-situ VISAR measurements along with post-mortem metallographic and neutron diffraction characterization of soft recovered specimens have been utilized to quantify the volume fraction of retained omega phase, morphology of the shocked alpha and omega phases, and qualitatively understand the kinetics of this transformation. This understanding of the role of peak shock stress will be utilized to address physics to be encoded in our present macro-scale models.

  9. High-pressure phase transition and properties of spinel ZnMn2O4

    DEFF Research Database (Denmark)

    Åbrink, S.; Waskowska, A.; Gerward, Leif


    to normal pressure. The c/a ratio reduces from 1.62 to 1.10 above P-c and remains nearly pressure independent in the high-pressure phase. The transition is attributed to the changes in electron configuration of the Mn3+ ions. According to the crystal field theory, the e(g) electron of octahedrally......-pressure behavior of ZnMn2O4 was investigated up to 52 GPa using the energy-dispersive x-ray diffraction technique and synchrotron radiation. The structural first-order phase transition from the body-centered to primitive-tetragonal cell takes place at P-c = 23 GPa. The high-pressure phase is metastable down...... coordinated Mn3+ is either in the d(z)(2) orbital or in the d(x2-y2). In the first configuration the MnO6 octahedron will be elongated and this is the case at normal pressure, while the second configuration gives the flattened octahedron. In the high-pressure phase some proportion of the e(g) electrons...

  10. High-pressure fluid-phase equilibria: Experimental methods and systems investigated (2005-2008)

    DEFF Research Database (Denmark)

    Fonseca, José; Dohrn, Ralf; Peper, Stephanie


    %) have carbon dioxide as one of the components. Information on 206 pure components, 535 ternary systems of which 355 (66%) contain carbon dioxide, 163 multicomponent and complex systems, and 207 systems with hydrates is given. A continuation of the review series is planned, covering the years from 2009......A review of systems is given, for which experimental high-pressure phase-equilibrium data were published in the period between 2005 and 2008, continuing a series of reviews. To find candidates for articles that are of interest for this survey a three-stage search strategy was used including...... a systematic search of the contents of the 17 most important journals of the field. Experimental methods for the investigation of high-pressure phase equilibria were classified, described and illustrated using examples from articles of the period between 2005 and 2008. For the systems investigated...

  11. Magnetic Phase Transition in Rare Earth Metal Holmium at Low Temperatures and High Pressures (United States)

    Thomas, Sarah; Uhoya, Walter; Wenger, Lowell; Vohra, Yogesh


    The heavy rare earth metal Holmium has been studied under high pressures and low temperatures using a designer diamond anvil cell and neutron diffraction using a Paris-Edinburgh Cell at the Spallation Neutrons and Pressure (SNAP) Diffractometer. The electrical resistance measurement using designer diamond shows a change in slope at the Neel temperature as the temperature is lowered at high pressures. At atmospheric pressure TN=120 K and decreases with a slope of -4.7 K/GPa as pressure is increased, until reaching 9 GPa, at which pressure the magnetic ordering is lost. This correlates to the pressure at which there is a structural change from an hcp phase to an α-Sm structure. Neutron diffraction measurements made above and below the Neel temperature at increasing pressures show the reversibility of the change between the paramagnetic and antiferromagnetic states. The parameters of the low temperature incommensurate magnetic phase will be reported at various pressures.

  12. High-pressure high-temperature phase diagram of organic crystal paracetamol (United States)

    Smith, Spencer J.; Montgomery, Jeffrey M.; Vohra, Yogesh K.


    High-pressure high-temperature (HPHT) Raman spectroscopy studies have been performed on the organic crystal paracetamol in a diamond anvil cell utilizing boron-doped heating diamond anvil. Isobaric measurements were conducted at pressures up to 8.5 GPa and temperature up to 520 K in five different experiments. Solid state phase transitions from monoclinic Form I  →  orthorhombic Form II were observed at various pressures and temperatures as well as transitions from Form II  →  unknown Form IV. The melting temperature for paracetamol was observed to increase with increasing pressures to 8.5 GPa. This new data is combined with previous ambient temperature high-pressure Raman and x-ray diffraction data to create the first HPHT phase diagram of paracetamol.

  13. Role of relativity in high-pressure phase transitions of thallium. (United States)

    Kotmool, Komsilp; Chakraborty, Sudip; Bovornratanaraks, Thiti; Ahuja, Rajeev


    We demonstrate the relativistic effects in high-pressure phase transitions of heavy element thallium. The known first phase transition from h.c.p. to f.c.c. is initially investigated by various relativistic levels and exchange-correlation functionals as implemented in FPLO method, as well as scalar relativistic scheme within PAW formalism. The electronic structure calculations are interpreted from the perspective of energetic stability and electronic density of states. The full relativistic scheme (FR) within L(S)DA performs to be the scheme that resembles mostly with experimental results with a transition pressure of 3 GPa. The s-p hybridization and the valence-core overlapping of 6s and 5d states are the primary reasons behind the f.c.c. phase occurrence. A recent proposed phase, i.e., a body-centered tetragonal (b.c.t.) phase, is confirmed with a small distortion from the f.c.c. phase. We have also predicted a reversible b.c.t. → f.c.c. phase transition at 800 GPa. This finding has been suggested that almost all the III-A elements (Ga, In and Tl) exhibit the b.c.t. → f.c.c. phase transition at extremely high pressure.

  14. Structural stability and phase transition of Bi 2 Te 3 under high pressure and low temperature

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, J. L.; Zhang, S. J.; Zhu, J. L.; Liu, Q. Q.; Wang, X. C.; Jin, C. Q.; Yu, J. C.


    Structural stability and phase transition of topological insulator Bi2Te3 were studied via angle-dispersive synchrotron radiation X-ray diffraction under high pressure and low temperature condition. The results manifest that the R-3m phase (phase I) is stable at 8 K over the pressure range up to 10 GPa and phase transition occurs between 8 K and 45 K at 8 GPa. According to the Birch-Murnaghan equation of state, the bulk modulus at ambient pressure B0 was estimated to be 45 ± 3 GPa with the assumption of B0' = 4. The structural robustness of phase I at 8 K suggests that the superconductivity below 10 GPa is related to phase I. Topological properties of superconducting Bi2Te3 phase under pressure were discussed.

  15. High-Pressure High-Temperature Phase Diagram of the Organic Crystal Paracetamol (United States)

    Smith, Spencer; Montgomery, Jeffrey; Vohra, Yogesh

    High-pressure high-temperature (HPHT) Raman spectroscopy studies have been performed on the organic crystal paracetamol in a diamond anvil cell utilizing boron-doped diamond as heating anvil. The HPHT data obtained from boron-doped diamond heater is cross-checked with data obtained using a standard block heater diamond anvil cell. Isobaric measurements were conducted at pressures up to 8.5 GPa and temperature up to 520 K in a number of different experiments. Solid state phase transitions from monoclinic Form I --> orthorhombic Form II were observed at various pressures and temperatures as well as transitions from Form II --> unknown Form IV. The melting temperature for paracetamol was observed to increase with increasing pressures to 8.5 GPa. Our previous angle dispersive x-ray diffraction studies at the Advanced Photon Source has confirmed the existence of two unknown crystal structures Form IV and Form V of paracetamol at high pressure and ambient temperature. The phase transformation from Form II to Form IV occurs at ~8.5 GPa and from Form IV to Form V occurs at ~11 GPa at ambient temperature. Our new data is combined with the previous ambient temperature high-pressure Raman and X- ray diffraction data to create the first HPHT phase diagram of paracetamol. Doe-NNSA Carnegie DOE Alliance Center (CDAC) under Grant Number DE-NA0002006.

  16. High-Pressure Phases in Shock-induced Melt Veins from the Umbarger L6 Chondrite: Constraints on Shock Conditions (United States)

    Xie, Z.; Tomioka, N.; Sharp, T. G.


    The Umbarger L6 chondrite contains previously unknown high-pressure phases: ringwoodite, akimotoite (MgSiO3-ilmenite), augite, and hollandite phase. Crystallization of akimotoite suggests supercooling of the melt vein during adiabatic decompression.

  17. The dynamic response of high pressure phase of Si using phase contrast imaging and X-ray diffraction (United States)

    Lee, H. J.; Galtier, E.; Xing, Z.; Gleason, A.; Granados, E.; Tavella, F.; Schropp, A.; Seiboth, F.; Schroer, C.; Higginbotham, A.; Brown, S.; Arnold, B.; Curiel, R.; Peterswright, D.; Fry, A.; Nagler, B.


    Static compression studies have revealed that crystalline silicon undergoes phase transitions from a cubic diamond structure to a variety of phases including body-centered tetragonal phase, an orthorhombic phase, and a hexagonal primitive phase. However, the dynamic response of silicon at high pressure is not well understood. Phase contrast imaging has proven to be a powerful tool for probing density changes caused by the shock propagation into a material. With respect to the elastic and plastic compression, we image shock waves in Si with high spatial resolution using the LCLS X-ray free electron laser and Matter in Extreme Conditions instrument. In this study, the long pulse optical laser with pseudoflat top shape creates high pressures up to 60 GPa. We also measure the crystal structure by observing the X-ray diffraction orthogonal to the shock propagation direction over a range of pressure. In this talk, we will present the capability of simultaneously performing phase contrast imaging and in situ X-ray diffraction during shock loading and will discuss the dynamic response of Si in high pressure phases

  18. Phase equilibrium data and thermodynamic modelling of the system (propane + DMF + methanol) at high pressures

    Energy Technology Data Exchange (ETDEWEB)

    Charin, Rafael M. [Department of Chemical Engineering, Federal University of Parana (UFPR), Polytechnic Center (DTQ/ST/UFPR), Jardim das Americas, Curitiba 82530-990, PR (Brazil); Department of Food Engineering, URI - Campus de Erechim, Av. Sete de Setembro, 1621, Erechim 99700-000, RS (Brazil); Corazza, Marcos L.; Ndiaye, Papa M. [Department of Chemical Engineering, Federal University of Parana (UFPR), Polytechnic Center (DTQ/ST/UFPR), Jardim das Americas, Curitiba 82530-990, PR (Brazil); Rigo, Aline A.; Mazutti, Marcio A. [Department of Food Engineering, URI - Campus de Erechim, Av. Sete de Setembro, 1621, Erechim 99700-000, RS (Brazil); Vladimir Oliveira, J., E-mail: [Department of Food Engineering, URI - Campus de Erechim, Av. Sete de Setembro, 1621, Erechim 99700-000, RS (Brazil)


    Reported in this work are phase equilibrium data at high pressures for the binary and ternary systems formed by {l_brace}propane + N,N-dimethylformamide (DMF) + methanol{r_brace}. Phase equilibrium measurements were performed in a high-pressure, variable-volume view cell, following the static synthetic method for obtaining the experimental bubble and dew points transition data over the temperature range of (363 to 393) K, pressures up to 11.5 MPa and overall mole fraction of the lighter component varying from 0.1 to 0.995. For the systems investigated, vapour-liquid (VLE), liquid-liquid (LLE) and vapour-liquid-liquid (VLLE) phase transitions were visually recorded. Results show that the systems investigated present UCST (upper critical solution temperature) phase transition curves with an UCEP (upper critical end point) at a temperature higher than the propane critical temperature. The experimental data were modelled using the Peng-Robinson equation of state with the Wong-Sandler and the classical quadratic mixing rules, affording a satisfactory representation of the experimental data.

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

    Energy Technology Data Exchange (ETDEWEB)

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


    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.

  20. Magnetic and Structural Phase Transitions in Thulium under High Pressures and Low Temperatures (United States)

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


    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. Synthesis and Raman spectroscopy of a layered SiS2 phase at high pressures. (United States)

    Wang, Yu; Jiang, Shu-Qing; Goncharov, Alexander F; Gorelli, Federico A; Chen, Xiao-Jia; Plašienka, Dušan; Martoňák, Roman; Tosatti, Erio; Santoro, Mario


    Dichalcogenides are known to exhibit layered solid phases, at ambient and high pressures, where 2D layers of chemically bonded formula units are held together by van der Waals forces. These materials are of great interest for solid-state sciences and technology, along with other 2D systems such as graphene and phosphorene. SiS2 is an archetypal model system of the most fundamental interest within this ensemble. Recently, high pressure (GPa) phases with Si in octahedral coordination by S have been theoretically predicted and also experimentally found to occur in this compound. At variance with stishovite in SiO2, which is a 3D network of SiO6 octahedra, the phases with octahedral coordination in SiS2 are 2D layered. Very importantly, this type of semiconducting material was theoretically predicted to exhibit continuous bandgap closing with pressure to a poor metallic state at tens of GPa. We synthesized layered SiS2 with octahedral coordination in a diamond anvil cell at 7.5-9 GPa, by laser heating together elemental S and Si at 1300-1700 K. Indeed, Raman spectroscopy up to 64.4 GPa is compatible with continuous bandgap closing in this material with the onset of either weak metallicity or of a narrow bandgap semiconductor state with a large density of defect-induced, intra-gap energy levels, at about 57 GPa. Importantly, our investigation adds up to the fundamental knowledge of layered dichalcogenides.

  2. Synthesis and Raman spectroscopy of a layered SiS2 phase at high pressures (United States)

    Wang, Yu; Jiang, Shu-Qing; Goncharov, Alexander F.; Gorelli, Federico A.; Chen, Xiao-Jia; Plašienka, Dušan; MartoÅák, Roman; Tosatti, Erio; Santoro, Mario


    Dichalcogenides are known to exhibit layered solid phases, at ambient and high pressures, where 2D layers of chemically bonded formula units are held together by van der Waals forces. These materials are of great interest for solid-state sciences and technology, along with other 2D systems such as graphene and phosphorene. SiS2 is an archetypal model system of the most fundamental interest within this ensemble. Recently, high pressure (GPa) phases with Si in octahedral coordination by S have been theoretically predicted and also experimentally found to occur in this compound. At variance with stishovite in SiO2, which is a 3D network of SiO6 octahedra, the phases with octahedral coordination in SiS2 are 2D layered. Very importantly, this type of semiconducting material was theoretically predicted to exhibit continuous bandgap closing with pressure to a poor metallic state at tens of GPa. We synthesized layered SiS2 with octahedral coordination in a diamond anvil cell at 7.5-9 GPa, by laser heating together elemental S and Si at 1300-1700 K. Indeed, Raman spectroscopy up to 64.4 GPa is compatible with continuous bandgap closing in this material with the onset of either weak metallicity or of a narrow bandgap semiconductor state with a large density of defect-induced, intra-gap energy levels, at about 57 GPa. Importantly, our investigation adds up to the fundamental knowledge of layered dichalcogenides.

  3. Phase Behavior at High Pressure of the Ternary System: CO2, Ionic Liquid and Disperse Dye

    Directory of Open Access Journals (Sweden)

    Helen R. Mazzer


    Full Text Available High pressure phase behavior experimental data have been measured for the systems carbon dioxide (CO2 + 1-butyl-3-methylimidazolium hexafluorophosphate ([bmim] [PF6] and carbon dioxide (CO2 + 1-butyl-3-methylimidazolium hexafluorophosphate ([bmim] [PF6] + 1-amino-2-phenoxy-4-hydroxyanthraquinone (C.I. Disperse Red 60. Measurements were performed in the pressure up to 18 MPa and at the temperature (323 to 353 K. As reported in the literature, at higher concentrations of carbon dioxide the phase transition pressure increased very steeply. The experimental data for the binary and ternary systems were correlated with good agreement using the Peng-Robinson equation of state. The amount of water in phase behavior of the systems was evaluated.

  4. Liquidus Phases of the Richardson H5 Chondrite at High Pressures and Temperatures (United States)

    Channon, M.; Garber, J.; Danielson, L. R.; Righter, K.


    Part of early mantle evolution may include a magma ocean, where core formation began before the proto-Earth reached half of its present radius. Temperatures were high and bombardment and accretion were still occurring, suggesting that the proto-Earth consisted of a core and an at least partially liquid mantle, the magma ocean. As the Earth accreted, pressure near the core increased and the magma ocean decreased in volume and became shallower as it began to cool and solidify. As crystals settled, or floated, the composition of the magma ocean could change significantly and begin to crystallize different minerals from the residual liquid. Therefore, the mantle may be stratified following the P-T phase diagram for the bulk silicate Earth. To understand mantle evolution, it is necessary to know liquidus phase relations at high pressures and temperatures. In order to model the evolution of the magma ocean, high pressure and temperature experiments have been conducted to simulate the crystallization process using a range of materials that most likely resemble the bulk composition of the early Earth.

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

    Directory of Open Access Journals (Sweden)

    Rulong Zhou


    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.

  6. High-pressure phases of CaCO 3: Crystal structure prediction and experiment (United States)

    Oganov, Artem R.; Glass, Colin W.; Ono, Shigeaki


    Post-aragonite phase of CaCO3, experimentally known to be stable above 40 GPa [S. Ono, T. Kikegawa, Y. Ohishi, J. Tsuchiya, Post-aragonite phase transformation in CaCO3 at 40 GPa, Am. Mineral. 90 (2005) 667-671], is believed to be a major carbon-containing mineral in the Earth's mantle. Crystal structure of this mineral phase could not be solved using experimental data or traditional theoretical simulation methods and remained a controversial issue. Using a combination of advanced ab initio simulation techniques and high-pressure experiment, we have been able to determine the crystal structure of CaCO3 post-aragonite. Here, we performed simulations with the USPEX code [C.W. Glass, A.R. Oganov, and N. Hansen, (in preparation). USPEX: a universal structure prediction program], which is based on an evolutionary algorithm using ab initio free energy as the fitness function. This novel methodology for crystal structure prediction, which uses only the chemical composition as input, is described in detail. For CaCO3, we identify a number of energetically competitive structures, the most stable of which closely matches the experimental powder diffraction pattern and, in agreement with experiment, becomes more stable than aragonite above 42 GPa. This structure belongs to a new structure type, which is also adopted by the high-pressure post-aragonite phases of SrCO3 and BaCO3. It has 2 formula units in the orthorhombic unit cell (space group Pmmn) and contains triangular CO32- ions and Ca2+ ions in the 12-fold coordination. Above 137 GPa, a pyroxene-type structure (space group C2221) with chains of CO44- tetrahedra becomes more stable than post-aragonite. For MgCO3, this structure becomes more stable than magnesite above 106 GPa and is a good candidate structure for MgCO3 post-magnesite.

  7. High-pressure structural phase transitions in CuWO[subscript 4

    Energy Technology Data Exchange (ETDEWEB)

    Ruiz-Fuertes, J.; Errandonea, D.; Lacomba-Perales, R.; Segura, A.; González, J.; Rodríguez, F.; Manjón, F.J.; Ray, S.; Rodríguez-Hernández, P.; Muñoz, A.; Zhu, Zh.; Tu, C.Y. (Cantabria); (Valencia); (Laguna); (Chinese Aca. Sci.)


    We study the effects of pressure on the structural, vibrational, and magnetic behavior of cuproscheelite. We performed powder x-ray diffraction and Raman spectroscopy experiments up to 27 GPa as well as ab initio total-energy and lattice-dynamics calculations. Experiments provide evidence that a structural phase transition takes place at 10 GPa from the low-pressure triclinic phase (P1{sup -}) to a monoclinic wolframite-type structure (P2/c). Calculations confirmed this finding and indicate that the phase transformation involves a change in the magnetic order. In addition, the equation of state for the triclinic phase is determined: V{sub 0} = 132.8(2) {angstrom}{sup 3}, B{sub 0} = 139(6) GPa, and B{prime}{sub 0} = 4. Furthermore, experiments under different stress conditions show that nonhydrostatic stresses induce a second phase transition at 17 GPa and reduce the compressibility of CuWO{sub 4}, B{sub 0} = 171(6) GPa. The pressure dependence of all Raman modes of the triclinic and high-pressure phases is also reported and discussed.

  8. High pressure phase transition and variation of elastic constants of diluted magnetic semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Varshney, Dinesh; Sharma, P.; Kaurav, N. [School of Physics, Vigyan Bhawan, Devi Ahilya University, Takshila Campus, Indore 452017 (India); Shah, S. [Department of Physics, P. M. B. Gujarati Science College, Indore-452001 (India); Singh, R.K. [M. P. Bhoj (Open) University, Shivaji Nagar, Bhopal-462016 (India)


    A theoretical study of the high-pressure phase transition and elastic behavior in diluted magnetic semiconductors Zn{sub 0.83}Mn{sub 0.17}Se, using a three-body interaction (TBI) potential caused by the electron-shell deformation of the overlapping ions is carried out. The estimated values of phase transition pressure and the vast volume discontinuity in pressure-volume (PV) phase diagram indicate the structural phase transition from zincblende (B3) to rock salt (B1). The variation of second-order elastic constants with pressure resembles that observed in some binary semiconductors. The inconsistency in the deduced value of pressure derivative of second order elastic constant with the available data is attributed to the fact that we derive expressions neglecting thermal effects and assuming the overlap repulsion significant only up to nearest neighbors. The vdW interaction is effective in obtaining the thermodynamical parameters such as Debye temperature, Gruneisen parameter, thermal expansion coefficient, compressibility as well phase stability in diluted magnetic semiconductors. It is revealed that TBI model has a promise to predict the phase transition pressure and the pressure variation of elastic constants of other semiconductors as well. (copyright 2004 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  9. High-pressure fluid-phase equilibria: Experimental methods and systems investigated (2000-2004)

    DEFF Research Database (Denmark)

    Dohrn, Ralf; Peper, Stephanie; Fonseca, José


    , and the experimental method used for the measurements are given in 54 tables. Most of experimental data in the literature have been given for binary systems. Of the 1204 binary systems, 681 (57%) have carbon dioxide as one of the components. Information on 156 pure components, 451 ternary systems of which 267 (62......As a part of a series of reviews, a compilation of systems for which high-pressure phase-equilibrium data were published between 2000 and 2004 is given. Vapor-liquid equilibria, liquid-liquid equilibria, vapor-liquid-liquid equilibria,solid-liquid equilibria, solid-vapor equilibria, solid......-vapor-liquid equilibria, critical points, the solubility of high-boiling substances in supercritical fluids, the solubility of gases in liquids and the solubility (sorption) of volatile components in polymers are included. For the systems investigated, the reference, the temperature and pressure range of the data...

  10. High-Pressure Phase Behavior of Polycaprolactone, Carbon Dioxide, and Dichloromethane Ternary Mixture Systems

    Energy Technology Data Exchange (ETDEWEB)

    Gwon, JungMin; Kim, Hwayong [Seoul National University, Seoul (Korea, Republic of); Shin, Hun Yong [Seoul National University of Science and Technology, Seoul (Korea, Republic of); Kim, Soo Hyun [Korea Institute of Science and Technology, Seoul (Korea, Republic of)


    The high-pressure phase behavior of a polycaprolactone (Mw=56,145 g/mol, polydispersity 1.2), dichloromethane, and carbon dioxide ternary system was measured using a variable-volume view cell. The experimental temperatures and pressures ranged from 313.15 K to 353.15 K and up to 300 bar as functions of the CO{sub 2}/dichloromethane mass ratio and temperature, at poly(D-lactic acid) weight fractions of 1.0, 2.0, and 3.0%. The correlation results were obtained from the hybrid equation of state (Peng-Robinson equation of state + SAFT equation of state) for the CO{sub 2}-polymer system using the van der Waals one-fluid mixing rule. The three binary interaction parameters were optimized by the simplex method algorithm.

  11. Phase Behaviour of the System Propene/Polypropene at High Pressure

    Directory of Open Access Journals (Sweden)

    Oliver Ruhl


    Full Text Available The phase behaviour of mixtures of supercritical propene and a number of polypropenes, which have a similar density but significantly different molecular weights and tacticities, was investigated in a broad range of polymer weight fractions and temperatures at high pressures. The cloud-point pressures were measured optically, using a view cell which was equipped with two windows made of synthetic sapphire and a metal bellows to accurately adjust the pressure. The cloud-point pressures were found in the range from 29 to 37 MPa decreasing with increasing polymer weight fraction and increasing with increasing temperature and polymer molecular weight. The critical weight fraction was found below 2 to 6 wt.-%. Whereas the cloud-point pressures of atactic and syndiotactic samples were high and very similar, the isotactic species exhibit distinctly lower values. The results, extrapolated to lower temperatures, show good agreement with the literature data.

  12. Structural Phase Transitions in High-Pressure Wurtzite to Rocksalt Phase in GaN and SiC

    Energy Technology Data Exchange (ETDEWEB)

    Xiao, H. Y.; Gao, Fei; Wang, Lumin M.; Zu, Xiaotao T.; Zhang, Yanwen; Weber, William J.


    Ab initio molecular dynamics simulations are employed to study the atomistic mechanisms and pathways of high-pressure phase transformation in GaN and SiC. Our simulations bring a fundamental level of understanding of the wurtzite to rocksalt phase transformation that undergoes inhomogeneous displacements via a tetragonal atomic configuration, and suggest that the transition path may be independent of the presence of d electrons on the cation in GaN. The discrepancies between experimental and theoretical studies of transition paths are discussed.

  13. Phase transformations in a Cu−Cr alloy induced by high pressure torsion

    Energy Technology Data Exchange (ETDEWEB)

    Korneva, Anna, E-mail: [Institute of Metallurgy and Materials Science, Polish Academy of Sciences, Reymonta St. 25, 30-059 Cracow (Poland); Straumal, Boris [Institute of Solid State Physics, Russian Academy of Sciences, Ac. Ossipzn Str. 2, Chernogolovka 142432 (Russian Federation); Institut für Nanotechnologie, Karlsruher Institut für Technologie, Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Laboratory of Hybrid Nanomaterials, National University of Science and Technology «MISIS», Leninskii prosp. 4, 119049 Moscow (Russian Federation); Kilmametov, Askar [Institut für Nanotechnologie, Karlsruher Institut für Technologie, Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Chulist, Robert [Institute of Metallurgy and Materials Science, Polish Academy of Sciences, Reymonta St. 25, 30-059 Cracow (Poland); Straumal, Piotr [Laboratory of Hybrid Nanomaterials, National University of Science and Technology «MISIS», Leninskii prosp. 4, 119049 Moscow (Russian Federation); Zięba, Paweł [Institute of Metallurgy and Materials Science, Polish Academy of Sciences, Reymonta St. 25, 30-059 Cracow (Poland)


    Phase transformations induced by high pressure torsion (HPT) at room temperature in two samples of the Cu-0.86 at.% Cr alloy, pre-annealed at 550 °C and 1000 °C, were studied in order to obtain two different initial states for the HPT procedure. Observation of microstructure of the samples before HPT revealed that the sample annealed at 550 °C contained two types of Cr precipitates in the Cu matrix: large particles (size about 500 nm) and small ones (size about 70 nm). The sample annealed at 1000 °C showed only a little fraction of Cr precipitates (size about 2 μm). The subsequent HPT process resulted in the partial dissolution of Cr precipitates in the first sample and dissolution of Cr precipitates with simultaneous decomposition of the supersaturated solid solution in another. However, the resulting microstructure of the samples after HPT was very similar from the standpoint of grain size, phase composition, texture analysis and hardness measurements. - Highlights: • Cu−Cr alloy with two different initial states was deformed by HPT. • Phase transformations in the deformed materials were studied. • SEM, TEM and X-ray diffraction techniques were used for microstructure analysis. • HPT leads to formation the same microstructure independent of the initial state.

  14. Possibility for rapid generation of high-pressure phases in single-crystal silicon by fast nanoindentation (United States)

    Huang, Hu; Yan, Jiwang


    High-pressure phases of silicon such as Si-XII/Si-III exhibit attractive optical, electrical and chemical properties, but until now, it has been technologically impossible to produce a significant quantity of Si-XII or Si-III. In this study, to explore the possibility of generating high-pressure silicon phases efficiently, comparative nanoindentation experiments were conducted. Effects of the loading rate, unloading rate and maximum indentation load were investigated, and key factors affecting the high-pressure phase formation were identified. A new nanoindentation protocol is proposed that introduces an intermediate holding stage into the unloading process. The resulting end phases under the indent were detected by a laser micro-Raman spectrometer and compared with those formed in conventional nanoindentation. The results indicate that high-pressure phases Si-XII and Si-III were successfully formed during the intermediate holding stage even with a very high loading/unloading rate. This finding demonstrates the possibility of rapid production of high-pressure phases of silicon through fast mechanical loading and unloading.

  15. The role of equilibrium volume and magnetism on the stability of iron phases at high pressures. (United States)

    Alnemrat, S; Hooper, J P; Vasiliev, I; Kiefer, B


    The present study provides new insights into the pressure dependence of magnetism by tracking the hybridization between crystal orbitals for pressures up to 600 GPa in the known hcp, bcc and fcc iron. The Birch-Murnaghan equation of state parameters are; bcc: V0 = 11.759 A(3)/atom, K0 = 177.72 GPa; hcp: V0 = 10.525 A(3)/atom, K0 = 295.16 GPa; and fcc: V0 = 10.682 A(3)/atom, K0 = 274.57 GPa. These parameters compare favorably with previous studies. Consistent with previous studies we find that the close-packed hcp and fcc phases are non-magnetic at pressures above 50 GPa and 60 GPa, respectively. The principal features of magnetism in iron are predicted to be invariant, at least up to ∼6% overextension of the equilibrium volume. Our results predict that magnetism for overextended fcc iron disappears via an intermediate spin state. This feature suggests that overextended lattices can be used to stabilize particular magnetic states. The analysis of the orbital hybridization shows that the magnetic bcc structure at high pressures is stabilized by splitting the majority and minority spin bands. The bcc phase is found to be magnetic at least up to 600 GPa; however, magnetism is insufficient to stabilize the bcc phase itself, at least at low temperatures. Finally, the analysis of the orbital contributions to the total energy provides evidence that non-magnetic hcp and fcc phases are likely more stable than bcc at core earth pressures.

  16. Synthesis of Dense BC3 Phases under High-Pressure and High-Temperature (United States)

    Zinin, P.; Ming, L.; Acosta, T.; Jia, R.; Hellebrand, E.; Ishii, H.


    The finding of the new diamond-like B-C phases is of fundamental importance. These phases are potential high-temperature superconductors and their development is important for understanding the nature of high-temperature superconductivity (Moussa, Cohen, Phys. Rev. B, 77, 064518 2008). They will shed light on the nature of the bonding of the boron atoms in a diamond-like structure. Recently, theoretical simulations of pressure- and temperature-induced phase transition in the B-C system demonstrated that the incorporation of B atoms into a diamond structure should not lead to a drastic distortion of the cubic cell of a diamond (Lowther, J. Phys. Condense Matter. 17, 3221, 2005). In this report we present data on the synthesis of new dense phases cubic BC3 (c-BC3) phase from graphitic BC3 phase (g-BC3) phase under high pressure and high temperature. Two graphitic polycrystalline BCx samples were compressed in a diamond-anvil cell to about 24 GPa and 45 GPa, respectively, and then were laser-heated to ~2000 K. After quenching, each sample was decompressed gradually stepwise to the atmospheric pressure. Synchrotron-based X-ray diffraction patterns were taken before and after the laser-heating, and also at each pressure step-down. The experimental data showed that two new phases were synthesized: (a) an orthorhombic phase with a0 = 3.74 Å, b0 = 3.24 Å, c0=4.25 Å; and (b) a cubic phase with a0 = 3.587Å recovered from 24 GPa and 44 GPa, respectively. The zero-pressure lattice parameter of the cubic phase obtained in this study is larger than that of diamond (i.e., a0=3.5667 Å, ASTM # 6-0675), which is consistent with theoretical prediction The micro-Raman measurements were directly performed on the new phases. The Raman spectra excited by a green (Nd-YAG, 532-nm) laser were taken with a confocal Raman system (WiTec alpha300). The Raman spectrum of the c-BC3 phase is similar to that of diamond-like BC3 phase (Zinin et al., J. Raman Spectrosc., 38, 1362, 2007) with a

  17. Coexistence of a metastable double hcp phase in bcc–fcc structure transition of Te under high pressure (United States)

    Akahama, Yuichi; Okawa, Naoki; Sugimoto, Toshiyuki; Fujihisa, Hiroshi; Hirao, Naoshisa; Ohishi, Yasuo


    The structural phase transitions of tellurium (Te) are investigated at pressures of up to 330 GPa at 298 K using an X-ray powder diffraction technique. In the experiments, it was found that the high-pressure bcc phase (Te-V) transitioned to the fcc phase (Te-VI) at 99 GPa, although a double hcp phase (dhcp) coexisted with the fcc phase. As the pressure was increased and decreased, the dhcp phase vanished at 255 and 100 GPa, respectively. These results suggest that the dhcp phase is metastable at 298 K and the structure of the highest-pressure phase of Te is fcc. The present results provide important information regarding the high-pressure behavior of group-16 elements.

  18. Extraction of Lipids from Chlorella saccharophila Using High-Pressure Homogenization Followed by Three Phase Partitioning. (United States)

    Mulchandani, Ketan; Kar, Jayaranjan R; Singhal, Rekha S


    Commercial exploitation of microalgae for biofuel and food ingredients is hindered due to laborious extraction protocols and use of hazardous chemicals. Production of lipids in the microalga grown in modified BG11 medium was evaluated to arrive at the appropriate harvesting conditions. The use of three phase partitioning (TPP) as a green approach for extraction of lipids from Chlorella saccharophila was investigated. Cells disrupted by probe sonication were used for separation of lipids by TPP. The TPP-optimized conditions of 30 % ammonium sulfate, using slurry/t-butanol of 1:0.75 for 60 min at 25 to 35 °C, showed a lipid recovery of 69.05 ± 3.12 % (w/w) as against 100 % (w/w) by using chloroform-methanol extraction. Subsequently, parameters of high-pressure homogenization for cell disruption were optimized for maximum recovery of lipids by TPP. A final recovery of 89.91 ± 3.69 % (w/w) lipids was obtained along with ∼1.26 % w/w carotenoids of dry biomass in the t-butanol layer and protein content of ∼12 % w/w of dry biomass in the middle protein layer due to ammonium sulfate precipitation, after performing TPP under the optimized conditions.

  19. New phases of C[sub 60] synthesized at high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Iwasa, Y.; Fleming, R.M.; Siegrist, T.; Zhou, O.; Haddon, R.C.; Rothberg, L.J.; Lyons, K.B.; Carter, H.L. Jr.; Hebard, A.F.; Tycko, H.R. (AT T Bell Labs., Murray Hill, NJ (United States)) (and others)


    The fullerene C[sub 60] can be converted into two different structures by high pressure and temperature. They are metastable and revert to pristine C[sub 60] on reheating to 300[degrees]C at ambient pressure. For synthesis temperatures between 300[degrees] and 400[degrees]C and pressures of 5 gigapascals, a nominal face-centered-cubic structure is produced with a lattice parameter a[sub o] = 13.6 angstroms. When treated at 500[degrees] to 800[degrees]C at the same pressure, C[sub 60] transforms into a rhombohedral structure with hexagonal lattice parameters of a[sub o] = 9.22 angstroms and c[sub o] = 24.6 angstroms. The intermolecular distance is small enough that a chemical bond can form, in accord with the reduced solubility of the pressure-induced phases. Infrared, Raman, and nuclear magnetic resonance studies show a drastic reduction of icosahedral symmetry, as might occur if the C[sub 60] molecules are linked.

  20. High-Pressure Acceleration of Nanoliter Droplets in the Gas Phase in a Microchannel

    Directory of Open Access Journals (Sweden)

    Yutaka Kazoe


    Full Text Available Microfluidics has been used to perform various chemical operations for pL–nL volumes of samples, such as mixing, reaction and separation, by exploiting diffusion, viscous forces, and surface tension, which are dominant in spaces with dimensions on the micrometer scale. To further develop this field, we previously developed a novel microfluidic device, termed a microdroplet collider, which exploits spatially and temporally localized kinetic energy. This device accelerates a microdroplet in the gas phase along a microchannel until it collides with a target. We demonstrated 6000-fold faster mixing compared to mixing by diffusion; however, the droplet acceleration was not optimized, because the experiments were conducted for only one droplet size and at pressures in the 10–100 kPa range. In this study, we investigated the acceleration of a microdroplet using a high-pressure (MPa control system, in order to achieve higher acceleration and kinetic energy. The motion of the nL droplet was observed using a high-speed complementary metal oxide semiconductor (CMOS camera. A maximum droplet velocity of ~5 m/s was achieved at a pressure of 1–2 MPa. Despite the higher fluid resistance, longer droplets yielded higher acceleration and kinetic energy, because droplet splitting was a determining factor in the acceleration and using a longer droplet helped prevent it. The results provide design guidelines for achieving higher kinetic energies in the microdroplet collider for various microfluidic applications.

  1. Strength and structural phase transitions of gadolinium at high pressure from radial X-ray diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Xiong, Lun, E-mail:; Liu, Jing; Bai, Ligang; Li, Xiaodong; Lin, Chuanlong [Beijing Synchrotron Radiation Facility, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049 (China); Lin, Jung-Fu [Department of Geological Sciences, Jackson School of Geosciences, The University of Texas at Austin, Texas 78712 (United States)


    Lattice strength and structural phase transitions of gadolinium (Gd) were determined under nonhydrostatic compression up to 55 GPa using an angle-dispersive radial x-ray diffraction technique in a diamond-anvil cell at room temperature. Three new phases of fcc structure, dfcc structure, and new monoclinic structure were observed at 25 GPa, 34 GPa, and 53 GPa, respectively. The radial x-ray diffraction data yield a bulk modulus K{sub 0} = 36(1) GPa with its pressure derivate K{sub 0}′ = 3.8(1) at the azimuthal angle between the diamond cell loading axis and the diffraction plane normal and diffraction plane ψ = 54.7°. With K{sub 0}′ fixed at 4, the derived K{sub 0} is 34(1) GPa. In addition, analysis of diffraction data with lattice strain theory indicates that the ratio of differential stress to shear modulus (t/G) ranges from 0.011 to 0.014 at pressures of 12–55 GPa. Together with estimated high-pressure shear moduli, our results show that Gd can support a maximum differential stress of 0.41 GPa, while it starts to yield to plastic deformation at 16 GPa under uniaxial compression. The yield strength of Gd remains approximately a constant with increasing pressure, and reaches 0.46 GPa at 55 GPa.

  2. High-Pressure Phases in Shock-Induced Melt Veins from the Umbarger L6 Chondrite: Constraints on Shock Conditions (United States)

    Xie, Z.; Tomioka, N.; Sharp, T. G.


    Shock-induced melt veins in the Umbarger L6 (S6) chondrite contain a previously unknown set of high-pressure phases consisting of ringwoodite ((Mg, Fe)2SiO4), akimotoite ((Mg, Fe)SiO3-ilmenite), augite ((Ca, Na)(Mg, Fe, Al)(Si, Al)2O6), and hollandite-structured plagioclase ((Na, K, Ca)(Al, Si)4O8). Crystallization of akimotoite suggests supercooling of the melt vein during adiabatic decompression. High-pressure minerals are common in highly shocked (S6) L6 chondrites. These minerals, which occur within or adjacent to shock-induced melt veins, provide evidence of very high pressure and temperature conditions during impact events. The goal of this study is to characterize the high-pressure mineral assemblages of the melt veins in the L6 chondrite Umbarger to better understand crystallization conditions, and the shock history of meteorite parent body. Mineral assemblages in shock-induced melt veins have been used to estimate crystallization conditions during shock metamorphism. based on phase equilibrium data. Umbarger was previously classified as shock stage S4, based on deformation features not associated with melt veins. Based on previously unrecognized ringwoodite in the melt veins of Umbarger, we classified the shock stage as S6. Further transmission electron microscopy (TEM) study reveals several other high-pressure phases in melt veins that can be used to infer crystallization and shock conditions.

  3. High-pressure phase transition of alkali metal-transition metal deuteride Li2PdD2 (United States)

    Yao, Yansun; Stavrou, Elissaios; Goncharov, Alexander F.; Majumdar, Arnab; Wang, Hui; Prakapenka, Vitali B.; Epshteyn, Albert; Purdy, Andrew P.


    A combined theoretical and experimental study of lithium palladium deuteride (Li2PdD2) subjected to pressures up to 50 GPa reveals one structural phase transition near 10 GPa, detected by synchrotron powder x-ray diffraction, and metadynamics simulations. The ambient-pressure tetragonal phase of Li2PdD2 transforms into a monoclinic C2/m phase that is distinct from all known structures of alkali metal-transition metal hydrides/deuterides. The structure of the high-pressure phase was characterized using ab initio computational techniques and from refinement of the powder x-ray diffraction data. In the high-pressure phase, the PdD2 complexes lose molecular integrity and are fused to extended [PdD2]∞ chains. The discovered phase transition and new structure are relevant to the possible hydrogen storage application of Li2PdD2 and alkali metal-transition metal hydrides in general.

  4. Back-transformation of high-pressure phases in a shock melt vein of an H-chondrite during atmospheric passage: Implications for the survival of high-pressure phases after decompression (United States)

    Kimura, M.; Chen, M.; Yoshida, Y.; El Goresy, A.; Ohtani, E.


    We investigated the H6-chondrite Yamato 75267, in which a fusion crust cuts a shock melt vein. The shock vein region, more than 280 μm from the fusion crust, contains high-pressure phases, such as ringwoodite, majorite-pyrope ss garnet and NaAlSi 3O 8 hollandite. However, the shock vein close to the fusion crust entirely consists of the low-pressure polymorphs, olivine, low-Ca pyroxene and plagioclase glass. The boundary between low- and high-pressure phase regions is parallel to the fusion crust. During the atmospheric passage, the peripheral part of the chondrite was melted to form the fusion crust. Our microscopic, laser micro-Raman, electron microprobe investigations and calculations indicate an area up to 300 μm from the fusion crust experienced a temperature of 1400°C after 3 s during the melting of the peripheral part. The high-pressure phases would, at this conditions, quickly transform back to their low-pressure polymorphs. The result obtained here indicates that post-shock temperatures in the interior part of the veins were much lower than 1400°C, thus leading to the survival of high-pressure phases in heavily shocked chondrites.

  5. Two-phase convection in Ganymede's high-pressure ice layer - Implications for its geological evolution (United States)

    Kalousová, Klára; Sotin, Christophe; Choblet, Gaël; Tobie, Gabriel; Grasset, Olivier


    Ganymede, the largest moon in the solar system, has a fully differentiated interior with a layer of high-pressure (HP) ice between its deep ocean and silicate mantle. In this paper, we study the dynamics of this layer using a numerical model of two-phase ice-water mixture in two-dimensional Cartesian geometry. While focusing on the generation of water at the silicate/HP ice interface and its upward migration towards the ocean, we investigate the effect of bottom heat flux, the layer thickness, and the HP ice viscosity and permeability. Our results suggest that melt can be generated at the silicate/HP ice interface for small layer thickness ( ≲ 200 km) and high values of heat flux ( ≳ 20 mW m-2) and viscosity ( ≳ 1015 Pa s). Once generated, the water is transported through the layer by the upwelling plumes. Depending on the vigor of convection, it stays liquid or it may freeze before melting again as the plume reaches the temperate (partially molten) layer at the boundary with the ocean. The thickness of this layer as well as the amount of melt that is extracted from it is controlled by the permeability of the HP ice. This process constitutes a means of transporting volatiles and salts that might have dissolved into the melt present at the silicate/HP ice interface. As the moon cools down, the HP ice layer becomes less permeable because the heat flux from the silicates decreases and the HP ice layer thickens.

  6. 2D IR spectroscopy of high-pressure phases of ice

    NARCIS (Netherlands)

    Tran, Halina; Cunha, Ana V.; Shephard, Jacob J.; Shalit, Andrey; Hamm, Peter; Jansen, Thomas L. C.; Salzmann, Christoph G.


    We present experimental and simulated 2D IR spectra of some high-pressure forms of isotope-pure D2O ice and compare the results to those of ice Ih published previously [F. Perakis and P. Hamm, Phys. Chem. Chem. Phys. 14, 6250 (2012); L. Shi et al., ibid. 18, 3772 (2016)]. Ice II, ice V, and ice XIII

  7. A new phase of ThC at high pressure predicted from a first-principles study (United States)

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


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

  8. Metadynamics Simulations of the High-Pressure Phases of Silicon Employing a High-Dimensional Neural Network Potential (United States)

    Behler, Jörg; Martoňák, Roman; Donadio, Davide; Parrinello, Michele


    We study in a systematic way the complex sequence of the high-pressure phases of silicon obtained upon compression by combining an accurate high-dimensional neural network representation of the density-functional theory potential-energy surface with the metadynamics scheme. Starting from the thermodynamically stable diamond structure at ambient conditions we are able to identify all structural phase transitions up to the highest-pressure fcc phase at about 100 GPa. The results are in excellent agreement with experiment. The method developed promises to be of great value in the study of inorganic solids, including those having metallic phases.

  9. Orientation relations during the α-ω phase transition of zirconium: in situ texture observations at high pressure and temperature. (United States)

    Wenk, H-R; Kaercher, P; Kanitpanyacharoen, W; Zepeda-Alarcon, E; Wang, Y


    Transition metals Ti, Zr, and Hf have a hexagonal close-packed structure (α) at ambient conditions, but undergo phase transformations with increasing temperature and pressure. Of particular significance is the high-pressure hexagonal ω phase which is brittle compared to the α phase. There has been a long debate about transformation mechanisms and orientation relations between the two crystal structures. Here we present the first high pressure experiments with in situ synchrotron x-ray diffraction texture studies on polycrystalline aggregates. We follow crystal orientation changes in Zr, confirming the original suggestion by Silcock for an α→ω martensitic transition for Ti, with (0001)(α)||(1120)(ω), and a remarkable orientation memory when ω reverts back to α.

  10. Oxygen-Rich Lithium Oxide Phases Formed at High Pressure for Potential Lithium-Air Battery Electrode. (United States)

    Yang, Wenge; Kim, Duck Young; Yang, Liuxiang; Li, Nana; Tang, Lingyun; Amine, Khalil; Mao, Ho-Kwang


    The lithium-air battery has great potential of achieving specific energy density comparable to that of gasoline. Several lithium oxide phases involved in the charge-discharge process greatly affect the overall performance of lithium-air batteries. One of the key issues is linked to the environmental oxygen-rich conditions during battery cycling. Here, the theoretical prediction and experimental confirmation of new stable oxygen-rich lithium oxides under high pressure conditions are reported. Three new high pressure oxide phases that form at high temperature and pressure are identified: Li2O3, LiO2, and LiO4. The LiO2 and LiO4 consist of a lithium layer sandwiched by an oxygen ring structure inherited from high pressure ε-O8 phase, while Li2O3 inherits the local arrangements from ambient LiO2 and Li2O2 phases. These novel lithium oxides beyond the ambient Li2O, Li2O2, and LiO2 phases show great potential in improving battery design and performance in large battery applications under extreme conditions.

  11. Oxygen‐Rich Lithium Oxide Phases Formed at High Pressure for Potential Lithium–Air Battery Electrode (United States)

    Yang, Liuxiang; Li, Nana; Tang, Lingyun; Amine, Khalil; Mao, Ho‐Kwang


    The lithium–air battery has great potential of achieving specific energy density comparable to that of gasoline. Several lithium oxide phases involved in the charge–discharge process greatly affect the overall performance of lithium–air batteries. One of the key issues is linked to the environmental oxygen‐rich conditions during battery cycling. Here, the theoretical prediction and experimental confirmation of new stable oxygen‐rich lithium oxides under high pressure conditions are reported. Three new high pressure oxide phases that form at high temperature and pressure are identified: Li2O3, LiO2, and LiO4. The LiO2 and LiO4 consist of a lithium layer sandwiched by an oxygen ring structure inherited from high pressure ε‐O8 phase, while Li2O3 inherits the local arrangements from ambient LiO2 and Li2O2 phases. These novel lithium oxides beyond the ambient Li2O, Li2O2, and LiO2 phases show great potential in improving battery design and performance in large battery applications under extreme conditions. PMID:28932656

  12. First principles prediction of a new high pressure phase of dense hydrous magnesium silicates in the lower mantle (United States)

    Tsuchiya, J.


    The global circulation of water in the earth is important to investigate the evolution history and dynamics of the earth, since the physical properties (e.g. atomic diffusivity, melting temperature, electrical conductivity and seismic velocities) of the constituent minerals are considerably changed by the presence of water. It has been reported that water is carried into the deep Earth's interior by hydrous minerals such as the dense hydrous magnesium silicates (DHMSs) in the descending cold plate. However, high pressure behavior of DHMSs, especially the stability of phase D which is the highest pressure phase of DHMSs has not been clarified so far. In this study, I explored the possibility of further phase transition and dissociation of phase D into the hydrous or anhydrous minerals. As a result, the new phase which has lower enthalpy than phase D has been found above about 40 GPa. Therefore, there is a possibility that this new phase in subducting slab takes over water and carries into the deeper part of earth's lower mantle. The detail of the structure and the high pressure-temperature phase boundary determined by quasi-harmonic approximation will be shown and the possible geophysical implications will also be discussed at the presentation. Research supported in part by special coordination funds for promoting science and technology (Supporting Young Researchers with Fixed-term Appointments) and Grants-In-Aid for Scientific Research from the Japan Society for the Promotion of Science (Nos. 21740380, 20103005, and 24740357).

  13. Stability of rhombohedral phases in vanadium at high-pressure and high-temperature: first-principles investigations

    CERN Document Server

    Wang, Yi X; Chen, Xiang R; Geng, Hua Y


    The pressure-induced transition of vanadium from BCC to rhombohedral structures is unique and intriguing among transition metals. In this work, the stability of these phases is revisited by using density functional theory. At finite temperatures, a novel transition of rhombohedral phases back to BCC phase induced by thermal electrons is discovered. This reentrant transition is found not driven by phonons, instead it is the electronic entropy that stabilizes the latter phase, which is totally out of expectation. Parallel to this transition, we find a peculiar and strong increase of the shear modulus C44 with increasing temperature. It is counter-intuitive in the sense that it suggests an unusual harding mechanism of vanadium by temperature. With these stability analyses, the high-pressure and finite-temperature phase diagram of vanadium is proposed. Furthermore, the dependence of the stability of RH phases on the Fermi energy and chemical environment is investigated. The results demonstrate that the position o...

  14. The piston-cylinder apparatus for in-situ structural investigations of high-pressure phases of gas hydrates with the use of synchrotron radiation

    CERN Document Server

    Mirinski, D S; Larionova, E G; Kurnosov, A V; Ancharov, A I; Dyadin, Y A; Tolochko, B P; Sheromov, M A


    The piston-cylinder apparatus for the investigation of high-pressure gas hydrate phases by the powder diffraction method is presented. The first results concerning the nature of the high-pressure gas hydrate phase in the sulfur hexafluoride-water system are reported.

  15. Ionic and superionic phases in ammonia dihydrate N H3.2 H2O under high pressure (United States)

    Jiang, Xue; Wu, Xue; Zheng, Zhaoyang; Huang, Yingying; Zhao, Jijun


    Water and ammonia have long been seen as the main species of extraterrestrial space, especially on solar giants, moons, comets, and numerous extrasolar planets. The phases formed by their admixtures under temperature and pressure conditions of the giant planets are important for understanding many observable properties (gravitational moments, atmospheric composition, and magnetic field). Here we employ a Monte Carlo packing algorithm combined with first-principles calculations to search the low-energy crystal structures of ammonia dihydrate (ADH). At high pressure above 11.81 GPa, we predict an unusual ionic phase (tetragonal, I 41c d ) consisting of three alternating layers of H2O ,NH4+ , and O H- . The occurrence of ionic phase is attributed to the NH4+ and O H- electrostatic interaction induced volume reduction, which lowers the energy barrier of molecular to ionic phase transition. Analysis of proton transfer under pressure further supports the transformation mechanism between molecular and ionic phase. According to the mobility of hydrogen atoms from ab initio molecular dynamics, this ionic crystal will transform into a superionic phase under high temperature and high pressure. The existence of ionic or superionic ADH may have important implications for understanding the interiors of Neptune, Uranus, and many extrasolar planets.

  16. High-pressure Raman investigations of phase transformations in pentaerythritol (C(CH sub 2 OH) sub 4)

    CERN Document Server

    Bhattacharya, T


    Our high-pressure Raman scattering experiments on pentaerythritol (C(CH sub 2 OH) sub 4) show that this compound undergoes at least three phase transformations up to 25 GPa. Splitting of various modes at approx 6.3, approx 8.2 and 10 GPa suggests that these phase transformations result in lowering of crystalline symmetry. A very small discontinuous change in slope of most of the Raman-active modes is observed at 0.3 GPa. However, no other signature of a phase transition was observed at this pressure. The observed correlation of the pressures for the onset of the two phase transformations with the limiting values of the distances between various non-bonded atoms in the parent phase suggests that the molecular rearrangements across the phase transformations are not very drastic. In addition, our earlier Fourier transform infrared and present Raman investigations indicate that high-pressure compression leads to increase in strength of the hydrogen bond present in this compound.

  17. The Effect of Deviatoric Stress on the High-Pressure Phase Stability of Ca(OH)2 (United States)

    Catalli, K.; Shim, S.


    We present X-ray diffraction and Raman spectroscopy measurements to 26 GPa at 300 K that show a crystalline to crystalline phase transition in Ca(OH)2, in an argon pressure medium, between 8 and 12 GPa without evidence for the amorphization reported by Meade and Jeanloz (1990). In our X-ray measurements, ten new diffraction peaks emerge with the progressive loss of the portlandite peaks between 8 and 12 GPa. The diffraction patterns of the high-pressure phase can be fitted to a monoclinic unit cell. Diffraction peaks of the high-pressure phase broaden with pressure but persist to the highest pressure of this study. In the Raman spectra, the OH mode shows a negative frequency shift and rapid broadening with pressure before the phase transition, consistent with previous measurements. However, at 9 GPa two new peaks emerge in the OH region with widths 4-10 times smaller than the low pressure OH mode, indicating a disordering of the OH bonding before the phase transition and a subsequent reordering to a structure with at least two different OH bonding environments. The H-sublattice of the high-pressure phase appears to undergo disordering as well, manifested by a factor of four broadening of the OH bonds and subsequent loss in intensity above 21 GPa. In order to investigate the effect of deviatoric stresses, we compare the R1-R2 peak separation of ruby with different pressure media and with no medium. Without a pressure medium, the R1-R2 peak separation of ruby in Ca(OH)2 increases rapidly to 10 GPa, indicating an increase in deviatoric stresses, whereas it remains the same up to 25 GPa with an argon medium. We note that the previous studies for Ca(OH)2 reporting amorphization were carried out with no pressure medium, silicon oil, or NaCl. Combined with earlier non- hydrostatic studies, our observations indicate that the high-pressure behavior of Ca(OH)2 (and possibly other hydroxides) is very sensitive to deviatoric stresses. Our study demonstrates that deviatoric

  18. Reverse phase high pressure liquid chromatographic determination of aflatoxins in foods. (United States)

    Beebe, R M


    A method for determining aflatoxins by high pressure liquid chromatography (HPLC) with fluorescence detection after CB extraction and cleanup has been applied to various foods. Recoveries at 1--15 ppb levels from green coffee and peanut butter was 72--85 and 74--104%, respectively. Precision of the method has been tested for peanut butter. Other products to which the method has been successfully applied include tree nuts, seeds, grains, chocolate-covered peanut butter candy, and roasted, salted-in-shell peanuts. High levels of aflatoxins found in several samples of nuts by this method have been verified by the official thin layer chromatographic (TLC) method. The advantages of this HPLC method are speed, precision, sensitivity, selectivity, and immediate chemical confirmation of aflatoxins B1 and G1. None of the products analyzed required special cleanup procedures. Preparative-scale HPLC was used to isolate purified B1 for toxicity testing.

  19. Two-phase convection in the high-pressure ice layer of the large icy moons: geodynamical implications (United States)

    Kalousova, K.; Sotin, C.; Tobie, G.; Choblet, G.; Grasset, O.


    The H2O layers of large icy satellites such as Ganymede, Callisto, or Titan probably include a liquid water ocean sandwiched between the deep high-pressure ice layer and the outer ice I shell [1]. It has been recently suggested that the high-pressure ice layer could be decoupled from the silicate core by a salty liquid water layer [2]. However, it is not clear whether accumulation of liquids at the bottom of the high-pressure layer is possible due to positive buoyancy of water with respect to high-pressure ice. Numerical simulation of this two-phase (i.e. ice and water) problem is challenging, which explains why very few studies have self-consistently handled the presence and transport of liquids within the solid ice [e.g. 3]. While using a simplified description of water production and transport, it was recently showed in [4] that (i) a significant fraction of the high-pressure layer reaches the melting point and (ii) the melt generation and its extraction to the overlying ocean significantly influence the global thermal evolution and interior structure of the large icy moons.Here, we treat the high-pressure ice layer as a compressible mixture of solid ice and liquid water [5]. Several aspects are investigated: (i) the effect of the water formation on the vigor of solid-state convection and its influence on the amount of heat that is transferred from the silicate mantle to the ocean; (ii) the fate of liquids within the upper thermal boundary layer - whether they freeze or reach the ocean; and (iii) the effect of salts and volatile compounds (potentially released from the rocky core) on the melting/freezing processes. Investigation of these aspects will allow us to address the thermo-chemical evolution of the internal ocean which is crucial to evaluate the astrobiological potential of large icy moons. This work has been performed at the Jet Propulsion Laboratory, California Institute of Technology, under contract to NASA. [1] Hussmann et al. (2007), Treatise of

  20. Stability of γ and δ phases in Ti at high pressures (United States)

    Joshi, K. D.; Jyoti, G.; Gupta, Satish C.; Sikka, S. K.


    Recently, Vohra and Spencer [Phys. Rev. Lett. 86, 3068 (2001)] reported that titanium metal undergoes a transition from a hexagonal phase (ω) to an orthorhombic phase (distorted hcp, γ phase) under a pressure of 116+/-4 GPa, from energy dispersive x-ray-diffraction measurements. Subsequent to this, very recently, Akahama et al. [Phys. Rev. Lett. 87, 275503 (2001)] also reported that titanium undergoes a transition to a γ phase from an ω phase, contrary to their earlier investigations showing a ω-->β (bcc) transition in Ti at 140 GPa. Additionally, they reported another transition in Ti, a γ-->δ (distorted bcc) transition around 140 GPa. This is unexpected, as the group-IVB elements are expected to undergo s-to-d electron transfer under pressure and thus mimic the transformation sequence α(hcp)-->ω-->β shown by these elements with increasing numbers of d electrons on alloying with d-electron-rich neighbors. This structural sequence under pressure is well established for Zr and Hf. In the present work, we carry out total energy calculations employing the full-potential linear-augmented-plane wave method to examine the stability of the γ and δ phases with respect to the ω and β structures. Our analysis predicts at 0 K the ω phase transforms to a β phase via an intermediate γ phase, whereas at 300 K the ω phase transforms to a β structure directly and the γ phase becomes the most competitive metastable structure in the pressure range of the β-phase stability. The δ phase, however, is not at all stable at any compression. This suggests that the γ phase observed in the experiments is a metastable phase that could be formed due to the shear stresses present in the experiments, and that the ω-->γ structural transition does not represent the phenomenon expected under hydrostatic conditions.

  1. High-pressure-induced phase transitions in the ferroelectric bis-thiourea pyridinium iodide inclusion compound

    Energy Technology Data Exchange (ETDEWEB)

    Bilski, P; Bobrowicz-Sarga, L; Czarnecki, P; Maluszynska, H; Wasicki, J [Institute of Physics, Adam Mickiewicz University, Umultowska 85, 61-614 Poznan (Poland); Natkaniec, I [Frank Laboratory of Neutrons Physics, JINR, 141980 Dubna (Russian Federation)


    The effect of temperature and pressure on physical properties of the ferroelectric bis-thiourea pyridinium iodide inclusion compound has been studied by dielectric spectroscopy, neutron spectroscopy, neutron powder diffractometry, single crystal x-ray diffraction and nuclear magnetic resonance (NMR). At ambient pressure two structural phase transitions have been revealed: at T{sub 1} = 161 K between phases I and II and at T{sub 2} = 141 K between phases II and III. Phase III with increasing pressure splits into two phases, IIIa and IIIb. The temperatures of the phase transitions T{sub I-II}, T{sub II-IIIa} and T{sub IIIa-IIIb} increase with increasing pressure. The p-T phase diagram constructed for this compound shows two triple points of coordinates 150 K, 100 MPa and 115 K, 100 MPa.


    Directory of Open Access Journals (Sweden)

    Arkan J. Hadi


    Full Text Available In the present study a thermodynamic model for prediction of gas-liquid equilibrium at high pressures and different temperatures prepared for the binary systems of carbon dioxide (1 with each of the one of the liquid physical solvents (2 (sulfolane, n-methyl-2-pyrrolidone and propylene carbonate using Peng-Robenson equation of state (PR-EOS with different mixing rules to show the effect of the type of mixing rule used.Comparison of the experimental phase equilibrium data in the literature with the results of the model showed very good representation for some mixing rules and good for the others.

  3. High pressure Laue diffraction and its application to study microstructural changes during the α → β phase transition in Si. (United States)

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


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

  4. High Pressure-Temperature Phase Diagram of 1,1-diamino-2,2-dinitroethylene (United States)

    Bishop, Matthew; Chellappa, Raja; Liu, Zhenxian; Preston, Daniel; Sandstrom, Mary; Dattelbaum, Dana; Vohra, Yogesh; Velisavljevic, Nenad


    1,1-diamino-2,2-dinitroethelyne (FOX-7) is a less sensitive energetic material with performance comparable to commonly used secondary explosives such as RDX and HMX. At ambient pressure, FOX-7 exhibits complex polymorphism with at least three structurally distinct phases (α, β, and γ) . In this study, we have investigated the high P-T stability of FOX-7 polymorphs using synchrotron mid-infrared (MIR) spectroscopy. At ambient pressure, our MIR spectra confirmed the known α --> β (110 °C) and β --> γ (160 °C) phase transitions; as well as, indicated an additional phase transition, γ --> δ (210°C), with the δ phase being stable up to 250 °C prior to melt/decomposition. In situ MIR spectra obtained during isobaric heating at 0.9 GPa revealed that the α --> β transition occurs at 180 °C, while β --> β + δ phase transition shifted to 300 °C with suppression of γ phase. Decomposition was observed above 325 °C. Based on multiple high P-T measurements, we have established the first high P-T phase diagram of FOX-7. This work was, in part, supported by the US DOE under contract No. DE-AC52-06NA25396 and Science Campaign 2 Program. MB acknowledges additional support from the NSF BD program. Use of NSLS (DE-AC02-98CH10886) beamline U2A (COMPRES, No.EAR01-35554, CDAC).

  5. Synthesis of new Diamond-like B-C Phases under High Pressure and Temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Ming, L. C. [University of Hawaii; Zinin, P. V. [University of Hawaii; Sharma, S. K. [University of Hawaii


    A cubic BC3 (c-BC3) phase was synthesized by direct transformation from graphitic phases at a pressure of 39 GPa and temperature of 2200 K in a laser-heated diamond anvil cell (DAC). A combination of x-ray diffraction (XRD), electron diffraction (ED), transmission electron microscopy (TEM) imaging, and electron energy loss spectroscopy (EELS) measurements lead us to conclude that the obtained phase is hetero-nano-diamond, c-BC3. The EELS measurements show that the atoms inside the cubic structure are bonded by sp3 bonds.

  6. High-pressure phase of the cubic spinel NiMn2O4

    DEFF Research Database (Denmark)

    Åsbrink, S.; Waskowska, A.; Olsen, J. Staun


    experimental uncertainty, there is no volume change at the transition. The cia ratio of the tetragonal spinel is almost independent of pressure and equal to 0.91. The phase transition is attributed to the Jahn-Teller-type distortion and the ionic configurationcan be assumed as (Mn3+)(tetr)[Ni2+Mn3+](oct......It has been observed that the fee spinel NiMn2O4 transforms to a tetragonal structure at about 12 GPa. The tetragonal phase does not revert to the cubic phase upon decompression and its unit-cell constants at ambient pressure are a(0)=8.65(8) and c(0)=7.88(15) Angstrom (distorted fee). Within thr......). The bulk modulus of the cubic phase is 206(4) GPa....

  7. Second-order phase transition at high-pressure in GeS crystal (United States)

    Hashimzade, F. M.; Huseinova, D. A.; Jahangirli, Z. A.; Mehdiyev, B. H.


    In this paper we give a theoretical proof of the existence of a second-order structural phase transition in the GeS at a pressure of 35.4 GPa. We use the plane-wave pseudopotential approach to the density functional theory in the local density approximation. The evidence of the phase transition is the abrupt change in the bulk modulus as the volume of the unit cell of the crystal changes continuously. We show that the phase transition is caused by the softening of the low-frequency fully symmetric interlayer mode with increasing pressure. As a result, phase transition of a displacement type takes place with the change of translational symmetry of the crystal from the simple orthorhombic to the base-centered orthorhombic (Pbnm(D2h16)→Cmcm(D2h17)).

  8. Ligand partitioning into lipid bilayer membranes under high pressure: Implication of variation in phase-transition temperatures. (United States)

    Matsuki, Hitoshi; Kato, Kentaro; Okamoto, Hirotsugu; Yoshida, Shuntaro; Goto, Masaki; Tamai, Nobutake; Kaneshina, Shoji


    The variation in phase-transition temperatures of dipalmitoylphosphatidylcholine (DPPC) bilayer membrane by adding two membrane-active ligands, a long-chain fatty acid (palmitic acid (PA)) and an inhalation anesthetic (halothane (HAL)), was investigated by light-transmittance measurements and fluorometry. By assuming the thermodynamic colligative property for the bilayer membrane at low ligand concentrations, the partitioning behavior of these ligands into the DPPC bilayer membrane was considered. It was proved from the differential partition coefficients between two phases that PA has strong affinity with the gel (lamellar gel) phase in a micro-molal concentration range and makes the bilayer membrane more ordered, while HAL has strong affinity with the liquid crystalline phase in a milli-molal concentration range and does the bilayer membrane more disordered. The transfer volumes of both ligands from the aqueous solution to each phase of the DPPC bilayer membrane showed that the preferential partitioning of the PA molecule into the gel (lamellar gel) produces about 20% decrease in transfer volume as compared with the liquid crystalline phase, whereas that of the HAL molecule into the liquid crystalline phase does about twice increase in transfer volume as compared with the gel (ripple gel) phase. Furthermore, changes in thermotropic and barotropic phase behavior of the DPPC bilayer membrane by adding the ligand was discussed from the viewpoint of the ligand partitioning. Reflecting the contrastive partitioning of PA and HAL into the pressure-induced interdigitated gel phase among the gel phases, it was revealed that PA suppresses the formation of the interdigitated gel phase under high pressure while HAL promotes it. These results clearly indicate that each phase of the DPPC bilayer membrane has a potential to recognize various ligand molecules. Copyright © 2017 Elsevier B.V. All rights reserved.

  9. Bonding, elastic and vibrational properties in low and high pressure synthesized diamond-like BCx phases (United States)

    Zinin, P.; Liu, X. R.; Jia, R.; Sharma, S. K.; Ming, L. C.; Kutuza, I.; Troyan, I.


    Recent studies demonstrate that low pressure chemical vapor deposition at 950 K leads to the synthesis of diamond-like boron carbides with high concentrations of boron (0.66 chemical vapor deposition materials are mixtures of diamond-like and graphitic BCx phases. This finding allows us to revise the interpretation of the x-ray diffraction (XRD) patterns of the g-BC3 phases discussed previously [2, 3]. To support the new interpretation, we conducted a laser heating experiment of the g-BC3 phase. We found that after laser heating at 1100 K and 25 GPa in a diamond anvil cell (DAC) almost all graphitic layers of the g-BC3 transform into a cubic structure. The XRD pattern of the cubic BC3 phase (c-BC3) can be indexed with a cubic unit cell a = 3.619 (0.165) Å. Measurements of the equation of state of the g-BC3 phase demonstrated that boron atoms were incorporated into the graphitic B-C network. The linear compressibility along the c axis can be characterized by the value of the linear modulus Bc = 29.2 ± 1.8 GPa. Linear fitting of the experimental data for the a/a o parameter as a function of pressure gives us the value of the linear elastic modulus along the a axes: Ba = 800 ± 75 GPa.

  10. Structural phase transitions of Ga(Mn)N under high pressure (United States)

    Sukserm, Akkarach; Pinsook, Udomsilp; Pluengphon, Prayoonsak


    Gallium nitride doped with a small concentration of manganese (Ga1-x Mn x N) is one of diluted magnetic semiconductors which can be used for spintronic applications. In this work, Ga31Mn1N32 in the zinc blende (ZB) and rock salt (RS) structures were investigated. We employed the density functional theory (DFT) within the generalized gradient approximation (GGA) to study structural properties, the density of states and the magnetization. The structural phase transitions under pressure up to 60 GPa were also studied. We found that Ga31Mn1N32 in the ZB phase is stable at ambient pressure, and change to the RS phase at about 42 GPa. By using GGA+U, the absolute magnetization is 4.68 μB per cell at 0 GPa. We found also that the absolute magnetization is reduced under pressure.

  11. Longitudinal sound velocities, elastic anisotropy, and phase transition of high-pressure cubic H2O ice to 82 GPa (United States)

    Kuriakose, Maju; Raetz, Samuel; Hu, Qing Miao; Nikitin, Sergey M.; Chigarev, Nikolay; Tournat, Vincent; Bulou, Alain; Lomonosov, Alexey; Djemia, Philippe; Gusev, Vitalyi E.; Zerr, Andreas


    Water ice is a molecular solid whose behavior under compression reveals the interplay of covalent bonding in molecules and forces acting between them. This interplay determines high-pressure phase transitions, the elastic and plastic behavior of H2O ice, which are the properties needed for modeling the convection and internal structure of the giant planets and moons of the solar system as well as H2O -rich exoplanets. We investigated experimentally and theoretically elastic properties and phase transitions of cubic H2O ice at room temperature and high pressures between 10 and 82 GPa. The time-domain Brillouin scattering (TDBS) technique was used to measure longitudinal sound velocities (VL) in polycrystalline ice samples compressed in a diamond anvil cell. The high spatial resolution of the TDBS technique revealed variations of VL caused by elastic anisotropy, allowing us to reliably determine the fastest and the slowest sound velocity in a single crystal of cubic H2O ice and thus to evaluate existing equations of state. Pressure dependencies of the single-crystal elastic moduli Ci j(P ) of cubic H2O ice to 82 GPa have been obtained which indicate its hardness and brittleness. These results were compared with ab initio calculations. It is suggested that the transition from molecular ice VII to ionic ice X occurs at much higher pressures than proposed earlier, probably above 80 GPa.

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

    Energy Technology Data Exchange (ETDEWEB)

    D Liu; W Lei; Z Liu; Y Lee


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

  13. High-pressure phase relation of KREEP basalts: A clue for finding the lost Hadean crust? (United States)

    Gréaux, Steeve; Nishi, Masayuki; Tateno, Shigehiko; Kuwayama, Yasuhiro; Hirao, Naohisa; Kawai, Kenji; Maruyama, Shigenori; Irifune, Tetsuo


    The phase relations, mineral chemistry and density of KREEP basalt were investigated at pressures of 12-125 GPa and temperatures up to 2810 K by a combination of large volume multi-anvil press experiments and in situ synchrotron X-ray diffraction measurements in a laser-heated diamond anvil cell. Our results showed that grossular-rich majorite garnet, liebermannite and Al-bearing stishovite are dominant in the upper-to-middle part of the upper mantle while in the lowermost transition zone a dense Ti-rich CaSiO3 perovskite exsoluted from the garnet, which becomes more pyropic with increasing pressure. At lower mantle conditions, these minerals transform into an assemblage of bridgmanite, Ca-perovskite, Al-stishovite, the new aluminium-rich (NAL) phase and the calcium-ferrite type (CF) phase. At pressures higher than 50 GPa, NAL phase completely dissolved into the CF phase, which becomes the main deposit of alkali metals in the lower mantle. The density of KREEP estimated from phase compositions obtained by energy dispersive X-ray spectroscopy (EDS) in scanning (SEM) and transmission (TEM) electron microscopes, was found substantially denser than pyrolite suggesting that the Earth primordial crust likely subducted deep into the Earth's mantle after or slightly before the final solidification of magma ocean at 4.53 Ga. Radiogenic elements U, Th and 40K which were abundant in the final residue of magma ocean were brought down along the subduction of the primordial crust and generate heat by decay after the settlement of the primordial crust on top of the CMB, suggesting the non-homogeneous distribution of radiogenic elements in the Hadean mantle with implications for the thermal history of the Earth.

  14. Bonding, elastic and vibrational properties in low and high pressure synthesized diamond-like BCx phases

    Energy Technology Data Exchange (ETDEWEB)

    Zinin, P.; Liu, X. R.; Jia, R.; Sharma, S. K.; Ming, L. C.; Kutuza, I.; Troyan, I.


    Recent studies demonstrate that low pressure chemical vapor deposition at 950 K leads to the synthesis of diamond-like boron carbides with high concentrations of boron (0.66 < x < 4) in which the sp 2 fraction depends on the boron concentration [1]. This indicates that the graphitic BC3 (g-BC3) phases obtained by chemical vapor deposition materials are mixtures of diamond-like and graphitic BCx phases. This finding allows us to revise the interpretation of the x-ray diffraction (XRD) patterns of the g-BC3 phases discussed previously [2, 3]. To support the new interpretation, we conducted a laser heating experiment of the g-BC3 phase. We found that after laser heating at 1100 K and 25 GPa in a diamond anvil cell (DAC) almost all graphitic layers of the g-BC3 transform into a cubic structure. The XRD pattern of the cubic BC3 phase (c-BC3) can be indexed with a cubic unit cell a = 3.619 (0.165) Å. Measurements of the equation of state of the g-BC3 phase demonstrated that boron atoms were incorporated into the graphitic B-C network. The linear compressibility along the c axis can be characterized by the value of the linear modulus Bc = 29.2 ± 1.8 GPa. Linear fitting of the experimental data for the a/a o parameter as a function of pressure gives us the value of the linear elastic modulus along the a axes: Ba = 800 ± 75 GPa.

  15. High-pressure phase diagram of the drug mitotane in compressed and/or supercritical CO{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Favareto, Rogerio [Department of Chemical Engineering, State University of Maringa (UEM), Av. Colombo, 5790, Bloco D-90, 87020-900 Maringa, PR (Brazil); Pereira, Jose R.D. [Department of Physique, State University of Maringa (UEM), Av. Colombo, 5790, Bloco G-56, 87020-900 Maringa, PR (Brazil); Santana, Cesar C. [College of Chemical Engineering, State University of Campinas (UNICAMP), Cx. Postal 6066, 13083-970 Campinas, SP (Brazil); Madureira, Ed H. [College of Veterinary Medicine and Zootechny, University of Sao Paulo (USP), Av. Duque de Caxias Norte, 225, 13635-900 Pirassununga, SP (Brazil); Cabral, Vladimir F. [Department of Chemical Engineering, State University of Maringa (UEM), Av. Colombo, 5790, Bloco D-90, 87020-900 Maringa, PR (Brazil); Tavares, Frederico W. [School of Chemical, Federal University of Rio de Janeiro (UFRJ), Cidade Universitaria, Ilha do Fundao, 21949-900 Rio de Janeiro, RJ (Brazil); Cardozo-Filho, Lucio, E-mail: cardozo@deq.uem.b [Department of Chemical Engineering, State University of Maringa (UEM), Av. Colombo, 5790, Bloco D-90, 87020-900 Maringa, PR (Brazil)


    This work provides experimental phase diagram of mitotane, a drug used in the chemotherapy treatment of adrenocortical carcinoma, in compressed and/or supercritical CO{sub 2}. The synthetic-static method in a high-pressure variable-volume view cell coupled with a transmitted-light intensity probe was used to measure the solid-fluid (SF) equilibrium data. The phase equilibrium experiments were determined in temperature ranging from (298.2 to 333.1) K and pressure up to 22 MPa. Peng-Robinson equation of state (PR-EoS) with classical mixing rule was used to correlate the experimental data. Excellent agreement was found between experimental and calculated values.


    Directory of Open Access Journals (Sweden)



    Full Text Available The generalized maximum likelihood method was used to determine binary interaction parameters between carbon dioxide and components of orange essential oil. Vapor-liquid equilibrium was modeled with Peng-Robinson and Soave-Redlich-Kwong equations, using a methodology proposed in 1979 by Asselineau, Bogdanic and Vidal. Experimental vapor-liquid equilibrium data on binary mixtures formed with carbon dioxide and compounds usually found in orange essential oil were used to test the model. These systems were chosen to demonstrate that the maximum likelihood method produces binary interaction parameters for cubic equations of state capable of satisfactorily describing phase equilibrium, even for a binary such as ethanol/CO2. Results corroborate that the Peng-Robinson, as well as the Soave-Redlich-Kwong, equation can be used to describe phase equilibrium for the following systems: components of essential oil of orange/CO2.

  17. Phase Behavior of Three PBX Elastomers in High-Pressure Chlorodifluoromethane (United States)

    Lee, Byung-Chul


    The phase equilibrium behavior data are presented for three kinds of commercial polymer-bonded explosive (PBX) elastomers in chlorodifluoromethane (HCFC22). Levapren^{{registered }} ethylene- co-vinyl acetate (LP-EVA), HyTemp^{{registered }} alkyl acrylate copolymer (HT-ACM), and Viton^{{registered }} fluoroelastomer (VT-FE) were used as the PBX elastomers. For each elastomer + HCFC22 system, the cloud point (CP) and/or bubble point (BP) pressures were measured while varying the temperature and elastomer composition using a phase equilibrium apparatus fitted with a variable-volume view cell. The elastomers examined in this study indicated a lower critical solution temperature phase behavior in the HCFC22 solvent. LP-EVA showed the CPs at temperatures of 323 K to 343 K and at pressures of 3 MPa to 10 MPa, whereas HT-ACM showed the CPs at conditions between 338 K and 363 K and between 4 MPa and 12 MPa. For the LP-EVA and HT-ACM elastomers, the BP behavior was observed at temperatures below about 323 K. For the VT-FE + HCFC22 system, only the CP behavior was observed at temperatures between 323 K and 353 K and at pressures between 6 MPa and 21 MPa. As the elastomer composition increased, the CP pressure increased, reached a maximum value at a specific elastomer composition, and then remained almost constant.

  18. Observation of a New High-Pressure Solid Phase in Dynamically Compressed Aluminum (United States)

    Polsin, D. N.


    Aluminum is ideal for testing theoretical first-principles calculations because of the relative simplicity of its atomic structure. Density functional theory (DFT) calculations predict that Al transforms from an ambient-pressure, face-centered-cubic (fcc) crystal to the hexagonal close-packed (hcp) and body-centered-cubic (bcc) structures as it is compressed. Laser-driven experiments performed at the University of Rochester's Laboratory for Laser Energetics and the National Ignition Facility (NIF) ramp compressed Al samples to pressures up to 540 GPa without melting. Nanosecond in-situ x-ray diffraction was used to directly measure the crystal structure at pressures where the solid-solid phase transformations of Al are predicted to occur. Laser velocimetry provided the pressure in the Al. Our results show clear evidence of the fcc-hcp and hpc-bcc transformations at 216 +/- 9 GPa and 321 +/- 12 GPa, respectively. This is the first experimental in-situ observation of the bcc phase in compressed Al and a confirmation of the fcc-hcp transition previously observed under static compression at 217 GPa. The observations indicate these solid-solid phase transitions occur on the order of tens of nanoseconds time scales. In the fcc-hcp transition we find the original texture of the sample is preserved; however, the hcp-bcc transition diminishes that texture producing a structure that is more polycrystalline. The importance of this dynamic is discussed. The NIF results are the first demonstration of x-ray diffraction measurements at two different pressures in a single laser shot. This material is based upon work supported by the Department of Energy National Nuclear Security Administration under Award Number DE-NA0001944.

  19. Shock-induced optical emission and high-pressure phase transformation of sapphire (United States)

    Zhang, Ning-Chao; Liu, Fu-Sheng; Wang, Wen-Peng; Sun, Yan-Yun; Liu, Qi-Jun; Peng, Xiao-Juan; Chen, Jun-Xiang


    Emission from sapphire window material was measured by spontaneous spectroscopic and multi-wavelength pyrometer techniques. The spectral distribution as a function of wavelength fit well to the grey-body spectrum. We analyzed the emissions and discovered that they arise from shear banding, which is a typical thermal radiation. It was found that the color temperature of shocked sapphire changes linearly and regularly with stress increases from 40 GPa to 59 GPa but becomes monotonic for stresses from 87 GPa to 120 GPa. The change in behavior indicates that a shock-induced phase transformation occurs between 59 GPa and 87 GPa.

  20. Shock-induced optical emission and high-pressure phase transformation of sapphire

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Ning-Chao [Laboratory of High Temperature and High Pressure Physics, Southwest Jiaotong University, Chengdu 610031 (China); Liu, Fu-Sheng, E-mail: [Laboratory of High Temperature and High Pressure Physics, Southwest Jiaotong University, Chengdu 610031 (China); Wang, Wen-Peng; Sun, Yan-Yun; Liu, Qi-Jun [Laboratory of High Temperature and High Pressure Physics, Southwest Jiaotong University, Chengdu 610031 (China); Peng, Xiao-Juan; Chen, Jun-Xiang [National Key Laboratory of Shock Wave and Detonation Physics, Institute of Fluid Physics, CAEP, Mianyang 621900 (China)


    Emission from sapphire window material was measured by spontaneous spectroscopic and multi-wavelength pyrometer techniques. The spectral distribution as a function of wavelength fit well to the grey-body spectrum. We analyzed the emissions and discovered that they arise from shear banding, which is a typical thermal radiation. It was found that the color temperature of shocked sapphire changes linearly and regularly with stress increases from 40 GPa to 59 GPa but becomes monotonic for stresses from 87 GPa to 120 GPa. The change in behavior indicates that a shock-induced phase transformation occurs between 59 GPa and 87 GPa.

  1. Compressibility of the high-pressure rocksalt phase of ZnO

    DEFF Research Database (Denmark)

    Recio, J.M.; Blanco, M.A.; Luana, V.


    We report the results of a combined experimental and theoretical investigation on the stability and the volume behavior under hydrostatic pressure of the rocksalt (B1) phase of ZnO. Synchrotron-radiation x-ray powder-diffraction data are obtained from 0 to 30 GPa. Static simulations of the ZnO B1....... The metastability of this ZnO polymorph is confirmed through the theoretical evaluation of the Hessian eigenvalues of a nine-parameter potential energy surface. This allows us to treat the experimental and theoretical pressure-volume data on an equal basis. In both cases, we have obtained values of the bulk modulus...... in the range of 160-194 GPa. For its zero-pressure first derivative, the experimental and theoretical data yield a value of 4.4+/-1.0. Overall, our results show that the ZnO B1 phase is slightly more compressible than previously reported. [S0163-1829(98)07537-7]....

  2. A route to possible civil engineering materials: the case of high-pressure phases of lime. (United States)

    Bouibes, A; Zaoui, A


    Lime system has a chemical composition CaO, which is known as thermodynamically stable. The purpose here is to explore further possible phases under pressure, by means of variable-composition ab initio evolutionary algorithm. The present investigation shows surprisingly new stable compounds of lime. At ambient pressure we predict, in addition to CaO, CaO2 as new thermodynamically stable compound. The latter goes through two phases transition from C2/c space group structure to Pna21 at 1.5 GPa, and Pna21 space group structure to I4/mcm at 23.4 GPa. Under increasing pressure, further compounds such as CaO3 become the most stable and stabilize in P-421m space group structure above 65 GPa. For the necessary knowledge of the new predicted compounds, we have computed their mechanical and electronic properties in order to show and to explain the main reasons leading to the structural changes.

  3. In-situ Phase Transformation and Deformation of Iron at High Pressure andTemperature

    Energy Technology Data Exchange (ETDEWEB)

    Miyagi, Lowell; Kunz, Martin; Knight, Jason; Nasiatka, James; Voltolini, Marco; Wenk, Hans-Rudolf


    With a membrane based mechanism to allow for pressure change of a sample in aradial diffraction diamond anvil cell (rDAC) and simultaneous infra-red laser heating, itis now possible to investigate texture changes during deformation and phasetransformations over a wide range of temperature-pressure conditions. The device isused to study bcc (alpha), fcc (gamma) and hcp (epislon) iron. In bcc iron, room temperature compression generates a texture characterized by (100) and (111) poles parallel to the compression direction. During the deformation induced phase transformation to hcp iron, a subset of orientations are favored to transform to the hcp structure first and generate a texture of (01-10) at high angles to the compression direction. Upon further deformation, the remaining grains transform, resulting in a texture that obeys the Burgers relationship of (110)bcc // (0001)hcp. This is in contrast to high temperature results that indicate that texture is developed through dominant pyramidal {2-1-12}<2-1-13> and basal (0001)-{2-1-10} slip based on polycrystal plasticity modeling. We also observe that the high temperature fcc phase develops a 110 texture typical for fcc metals deformed in compression.

  4. Thermal conductivity changes across a structural phase transition: The case of high-pressure silica (United States)

    Aramberri, Hugo; Rurali, Riccardo; Íñiguez, Jorge


    By means of first-principles calculations, we investigate the thermal properties of silica as it evolves, under hydrostatic compression, from a stishovite phase into a CaCl2-type structure. We compute the thermal conductivity tensor by solving the linearized Boltzmann transport equation iteratively in a wide temperature range, using for this the pressure-dependent harmonic and anharmonic interatomic couplings obtained from first principles. Most remarkably, we find that, at low temperatures, SiO2 displays a large peak in the in-plane thermal conductivity and a highly anisotropic behavior close to the structural transformation. We trace back the origin of these features by analyzing the phonon contributions to the conductivity. We discuss the implications of our results in the general context of continuous structural transformations in solids, as well as the potential geological interest of our results for silica.

  5. Study of Raman Spectroscopy on Phase Relations of CaCO3 at High Temperature and High Pressure (United States)

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


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

  6. Evidence for plasma phase transition in high pressure hydrogen from ab-initio simulations

    Energy Technology Data Exchange (ETDEWEB)

    Morales, M; Pierleoni, C; Schwegler, E; Ceperley, D


    We have performed a detailed study of molecular dissociation in liquid hydrogen using both Born-Oppenheimer molecular dynamics with Density Functional Theory and Coupled Electron-Ion Monte Carlo simulations. We observe a range of densities where (dP/d{rho}){sub T} = 0 that coincides with sharp discontinuities in the electronic conductivity, which is clear evidence of the plasma phase transition for temperatures 600K {le} T {le} 1500K. Both levels of theory exhibit the transition, although Quantum Monte Carlo predicts higher transition pressures. Based on the temperature dependence of the discontinuity in the electronic conductivity, we estimate the critical point of the transition at temperatures slightly below 2000 K. We examine the influence of proton zero point motion by using Path Integral Molecular Dynamics with Density Functional Theory; the main effect is to shift the transition to lower pressures. Furthermore, we calculate the melting curve of molecular hydrogen up to pressures of 200 GPa, finding a reentrant melting line in good agreement with previous calculations. The melting line crosses the metalization line at 700 K and 220 GPa using density functional energetics and at 550 K and 290 GPa using Quantum Monte Carlo energetics.

  7. Two distinct assemblages of high-pressure liquidus phases in shock veins of the Sixiangkou meteorite (United States)

    Chen, Ming; Xie, Xiande


    Shock-produced complex veins, including earlier and later veins, are identified in the Sixiangkou L6 chondrite. The early vein is intersected by the late vein and consists of coarse-grained aggregates of ringwoodite, majorite, and lingunite, and fragments of olivine, pyroxene, plagioclase, metal, and troilite, as well as a fine-grained matrix of garnet, ringwoodite, metal, and troilite. The late vein mainly consists of a fine-grained matrix of garnet, magnesiowüstite, metal, and troilite, as well as a small amount of coarse-grained aggregates. The amount of fine-grained matrix suggests that the late vein was nearly completely melted, whereas the early vein underwent partial melting. Both fine-grained assemblages of garnet plus ringwoodite in the early vein and garnet plus magnesiowüstite in the late vein are liquidus phases crystallized from shock-induced melt. Based on our understanding of the liquidus assemblages, the late vein experienced a higher pressure and temperature than the early vein.

  8. Self-annealing in a two-phase Pb-Sn alloy after processing by high-pressure torsion

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Nian Xian [Materials Research Group, Faculty of Engineering and the Environment, University of Southampton, Southampton SO17 1BJ (United Kingdom); Chinh, Nguyen Q. [Department of Materials Physics, Eötvös Loránd University, 1117 Budapest, Pázmány Péter s. 1/A. (Hungary); Kawasaki, Megumi [Division of Materials Science and Engineering, Hanyang University, Seoul 133-791 (Korea, Republic of); Departments of Aerospace & Mechanical Engineering and Materials Science, University of Southern California, Los Angeles, CA 90089-1453 (United States); Huang, Yi, E-mail: [Materials Research Group, Faculty of Engineering and the Environment, University of Southampton, Southampton SO17 1BJ (United Kingdom); Langdon, Terence G. [Materials Research Group, Faculty of Engineering and the Environment, University of Southampton, Southampton SO17 1BJ (United Kingdom); Departments of Aerospace & Mechanical Engineering and Materials Science, University of Southern California, Los Angeles, CA 90089-1453 (United States)


    A Pb-62% Sn two-phase eutectic alloy was processed by high-pressure torsion (HPT) and stored at room temperature (RT) to investigate the occurrence of self-annealing. The microstructural characteristics and mechanical properties were recorded during self-annealing using scanning electron microscopy, tensile testing and nanoindentation. Processing by HPT produces a weakening effect but storage at RT leads to a gradual increase in the hardness together with significant grain growth. Nanoindentation tests were performed by applying both the indentation depth-time (h-t) relationship at the holding stage and the hardness, H, at various loading rates in order to explore the evolution of the strain rate sensitivity (SRS), m. The results obtained by tensile testing and nanoindentation are consistent despite the large difference in the volumes of the examined regions, thereby confirming the validity of using nanoindentation to measure the strain rate sensitivity.

  9. Resistance properties of a bend in dense-phase pneumatic conveying of pulverized coal under high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Y.; Chen, X.P.; Liang, C.; Xu, P. [Southeast University, School of Energy and Environment, Nanjing (China)


    Experiments of high-pressure dense-phase pneumatic conveying of pulverized coal with different mean particle sizes using nitrogen were carried out in an experimental test facility with a conveying pressure of up to 4 MPa. The effects of three representative operating parameters (solids-to-gas mass flow ratio, conveying pressure, mean particle size) on the total pressure drop were examined. The pressure drops across the horizontal and vertical bends were analyzed by experimental and analytical calculation. The results show that the pressure drop due to gas friction is of much less significance, while the pressure drop due to the solids friction component of the total pressure drop dominates. There exists a relationship between the pressure drop due to solids kinetic energy loss and mass flux of solids. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  10. High-pressure phase equilibrium data for systems with carbon dioxide, {alpha}-humulene and trans-caryophyllene

    Energy Technology Data Exchange (ETDEWEB)

    Michielin, Eliane M.Z.; Rosso, Sibele R. [EQA/UFSC, Chemical and Food Engineering Department, Federal University of Santa Catarina, C.P. 476, CEP 88040-900, Florianopolis, SC (Brazil); Franceschi, Elton; Borges, Gustavo R.; Corazza, Marcos L.; Oliveira, J. Vladimir [Department of Food Engineering, URI - Campus de Erechim, Av. Sete de Setembro, 1621, Erechim, RS, 99700-000 (Brazil); Ferreira, Sandra R.S. [EQA/UFSC, Chemical and Food Engineering Department, Federal University of Santa Catarina, C.P. 476, CEP 88040-900, Florianopolis, SC (Brazil)], E-mail:


    The aim of this work is to report phase equilibrium data for the binary systems (CO{sub 2} + {alpha}-humulene) and (CO{sub 2} + trans-caryophyllene), and for the ternary system (CO{sub 2} + {alpha}-humulene + trans-caryophyllene). Results from literature show that {alpha}-humulene and trans-caryophyllene are the main compounds responsible for the anti-inflammatory and anti-allergic characteristics attributed to the medicinal plant Cordia verbenacea D.C., hence giving importance to the phase behaviour investigation performed in this work. Phase equilibrium experiments were performed in a high-pressure, variable-volume view cell over the temperature range of T = (303 to 343) K and pressures up to 20 MPa. (Liquid + liquid) and (vapour + liquid + liquid) equilibrium were observed at T = 303 K, while (vapour + liquid) phase transitions were verified to occur from T = (313 to 343) K, for all systems studied. Thermodynamic modelling was performed using the Peng-Robinson equation of state and the classical quadratic mixing rules, with a satisfactory agreement between experimental and calculated values.

  11. Hydrogen bond symmetrization and superconducting phase of HBr and HCl under high pressure: An ab initio study. (United States)

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


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

  12. Hydrostatic Compression Behavior and High-Pressure Stabilized β-Phase in γ-Based Titanium Aluminide Intermetallics

    Directory of Open Access Journals (Sweden)

    Klaus-Dieter Liss


    Full Text Available Titanium aluminides find application in modern light-weight, high-temperature turbines, such as aircraft engines, but suffer from poor plasticity during manufacturing and processing. Huge forging presses enable materials processing in the 10-GPa range, and hence, it is necessary to investigate the phase diagrams of candidate materials under these extreme conditions. Here, we report on an in situ synchrotron X-ray diffraction study in a large-volume press of a modern (α2 + γ two-phase material, Ti-45Al-7.5Nb-0.25C, under pressures up to 9.6 GPa and temperatures up to 1686 K. At room temperature, the volume response to pressure is accommodated by the transformation γ → α2, rather than volumetric strain, expressed by the apparently high bulk moduli of both constituent phases. Crystallographic aspects, specifically lattice strain and atomic order, are discussed in detail. It is interesting to note that this transformation takes place despite an increase in atomic volume, which is due to the high ordering energy of γ. Upon heating under high pressure, both the eutectoid and γ-solvus transition temperatures are elevated, and a third, cubic β-phase is stabilized above 1350 K. Earlier research has shown that this β-phase is very ductile during plastic deformation, essential in near-conventional forging processes. Here, we were able to identify an ideal processing window for near-conventional forging, while the presence of the detrimental β-phase is not present under operating conditions. Novel processing routes can be defined from these findings.

  13. Phase behavior for the poly(alkyl methacrylate)+supercritical CO{sub 2}+DME mixture at high pressures

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Yong-Seok; Chio, Sang-Won; Byun, Hun-Soo [Chonnam National University, Yeosu (Korea, Republic of)


    The phase behavior curves of binary and ternary system were measured for poly(alkyl methacrylate) in supercritical CO{sub 2}, as well as for the poly(alkyl methacrylate)+dimethyl ether (DME) (or 1-butene) in CO{sub 2}. The solubility curves are reported for the poly(alkyl methacrylate)+DME in supercritical CO{sub 2} at temperature from (300 to 465) K and a pressure from (3.66 to 248) MPa. Also, The high-pressure static-type apparatus of cloud-point curve was tested by comparing the measured phase behavior data of the poly(methyl methacrylate) [PMMA]+CO{sub 2}+20.0 and 30.4 wt% methyl methacrylate (MMA) system with literature data of 10.4, 28.8 and 48.4 wt% MMA concentration. The phase behavior data for the poly(alkyl methacrylate)+CO{sub 2}+DME mixture were measured in changes of the pressure-temperature (p, T) slope and with DME concentrations. Also, the cloud-point pressure for the poly(alkyl methacrylate)+1- butene solution containing supercritical CO{sub 2} shows from upper critical solution temperature (UCST) region to lower critical solution temperature (LCST) region at concentration range from (0.0 to 95) wt% 1-butene at below 455 K and at below 245MPa.

  14. Combined high-pressure and high-temperature vibrational studies of dolomite: phase diagram and evidence of a new distorted modification (United States)

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


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

  15. CaAl 12Si 4O 27, a New High-Pressure Phase Containing Al 6O 19 Clusters (United States)

    Grey, I. E.; Madsen, I. C.; Hibberson, W. O.; O'Neill, H. St. C.


    CaAl12Si4O27, a new high-pressure phase in the CaO-Al2O3-SiO2 system, was prepared at 1550°C and 14 GPa. It has trigonal symmetry, P-3, with a=7.223(1) and c=8.614(3) Å. Its structure was solved using crystal chemistry principles and refined using the Rietveld method applied to powder X-ray diffraction data, Rwp=6.1%, RB=2.7%. The structure is a new type based on a close-packed anion lattice with a mixed layer stacking sequence ABACA≡(hc)2 and with Ca atoms ordered in one-seventh of the anion sites in alternate c-stacked layers. The Si atoms are ordered in both octahedral and tetrahedral sites while the Al atoms are ordered in two independent octahedral sites. Octahedral edge-shared clusters, Al6O19, occur in the structure, interconnected within the close-packed layers by corner-linking to SiO4 tetrahedra. The clusters are also connected by corner-sharing to nine-member rings of edge-shared Al- and Si-centered octahedra in adjacent layers. The new phase has structural features in common with the barium titanium ferrite of similar composition, BaFe11Ti3O23, as well as with the mineral simpsonite, Al4Ta3O13(OH), and alkali metal niobates which contain Nb6O19 clusters.

  16. A high pressure infrared spectroscopic study of PbCO3-cerussite: constraints on the structure of the post-aragonite phase (United States)

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


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

  17. Recognition and measurement gas-liquid two-phase flow in a vertical concentric annulus at high pressures (United States)

    Li, Hao; Sun, Baojiang; Guo, Yanli; Gao, Yonghai; Zhao, Xinxin


    The air-water flow characteristics under pressure in the range of 1-6 MPa in a vertical annulus were evaluated in this report. Time-resolved bubble rising velocity and void fraction were also measured using an electrical void fraction meter. The results showed that the pressure has remarkable effect on the density, bubble size and rise velocity of the gas. Four flow patterns (bubble, cap-bubble, cap-slug, and churn) were also observed instead of Taylor bubble at high pressure. Additionally, the transition process from bubble to cap-bubble was investigated at atmospheric and high pressures, respectively. The results revealed that the flow regime transition criteria for atmospheric pressure do not work at high pressure, hence a new flow regime transition model for annular flow channel geometry was developed to predict the flow regime transition, which thereafter exhibited high accuracy at high pressure condition.

  18. Phase equilibrium data and thermodynamic modeling of the system (CO{sub 2} + biodiesel + methanol) at high pressures

    Energy Technology Data Exchange (ETDEWEB)

    Pinto, Leandro F.; Segalen da Silva, Diogo Italo [Department of Chemical Engineering, Federal University of Parana, CEP 81531-990, Curitiba, PR (Brazil); Rosa da Silva, Fabiano; Ramos, Luiz P. [Department of Chemistry, Federal University of Parana, CEP 81531-990, Curitiba, PR (Brazil); Ndiaye, Papa M. [Department of Chemical Engineering, Federal University of Parana, CEP 81531-990, Curitiba, PR (Brazil); Corazza, Marcos L., E-mail: [Department of Chemical Engineering, Federal University of Parana, CEP 81531-990, Curitiba, PR (Brazil)


    Highlights: > We measured phase behavior for the system involving {l_brace}CO{sub 2} + biodiesel + methanol{r_brace}. > The saturation pressures were obtained using a variable-volume view cell. > The experimental data were modeled using PR-vdW2 and PR-WS equations of state. - Abstract: The main objective of this work was to investigate the high pressure phase behavior of the binary systems {l_brace}CO{sub 2}(1) + methanol(2){r_brace} and {l_brace}CO{sub 2}(1) + soybean methyl esters (biodiesel)(2){r_brace} and the ternary system {l_brace}CO{sub 2}(1) + biodiesel(2) + methanol(3){r_brace} were determined. Biodiesel was produced from soybean oil, purified, characterized and used in this work. The static synthetic method, using a variable-volume view cell, was employed to obtain the experimental data in the temperature range of (303.15 to 343.15) K and pressures up to 21 MPa. The mole fractions of carbon dioxide were varied according to the systems as follows: (0.2383 to 0.8666) for the binary system {l_brace}CO{sub 2}(1) + methanol(2){r_brace}; (0.4201 to 0.9931) for the binary system {l_brace}CO{sub 2}(1) + biodiesel(2){r_brace}; (0.4864 to 0.9767) for the ternary system {l_brace}CO{sub 2}(1) + biodiesel(2) + methanol(3){r_brace} with a biodiesel to methanol molar ratio of (1:3); and (0.3732 to 0.9630) for the system {l_brace}CO{sub 2} + biodiesel + methanol{r_brace} with a biodiesel to methanol molar ratio of (8:1). For these systems, (vapor + liquid), (liquid + liquid), (vapor + liquid + liquid) transitions were observed. The phase equilibrium data obtained for the systems were modeled using the Peng-Robinson equation of state with the classical van der Waals (PR-vdW2) and Wong-Sandler (PR-WS) mixing rules. Both thermodynamic models were able to satisfactorily correlate the phase behavior of the systems investigated and the PR-WS presented the best performance.

  19. CH3OH in High-Pressure Phases of H2O: Implications for Ice-Rich Planets (United States)

    Aarestad, B.; Frank, M. R.; Scott, H. P.; Maglio, S.; Prakapenka, V.


    A significant body of research exists on the structure, lattice parameters, and density of high-pressure ice polymorphs, namely Ice VI and Ice VII, as these ices may make up a considerable part of the interior of large icy satellites and select extra solar planets; though most research thus far has been constrained to the pure H2O system. Salty subsurface oceans are also believed to exist within some of these icy bodies which may have prolonged interaction with the Ice VII phase present, incorporating foreign ions or molecules into the lattice of high-pressure ices. Recent research concerning the effects that charged ions have on Ice VII has shown that the presence of these ions notably affects the structure, increasing the Ice VII molar density at any given pressure relative to pure Ice VII (Frank et al., 2006, PEPI, 155, 152-162). This study focused on the incorporation of CH3OH into Ice VII to determine if the change in density was predominantly a result of charge-induced partial ordering of the hydrogen in Ice VII (as outlined in Frank et al., 2006) or if it was controlled solely by the addition of large foreign molecules into the lattice structure. Solutions of 1.60, 5.00 and 10.0 mol% CH3OH in H2O were loaded into a diamond anvil cell. The experiments were performed at GSECARS 13-BM-D at the Advanced Photon Source at Argonne National Laboratory. The unit cell parameters were measured using monochromatic X-ray radiation, 0.3344 Å, and a MAR 345 online imaging system. Powder diffraction patterns were collected in ~1 GPa increments up to ~31, ~48, and ~35 GPa, respectively. The volume-pressure relations (at 300 K) were used to determine an equation of state (EOS) for select compositions in the CH3OH - H2O system. Diffraction data indicate that the unit cell volume of Ice VII formed from a 1.60 mol% CH3OH aqueous solution did not deviate significantly from that of Ice VII formed from pure H2O. Conversely, the volumes of Ice VII formed from 5.00 and 10.0 mol

  20. High Pressure Biomass Gasification

    Energy Technology Data Exchange (ETDEWEB)

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


    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

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

    Energy Technology Data Exchange (ETDEWEB)

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


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

  2. The local phase transitions of the solvent in the neighborhood of a solvophobic polymer at high pressures

    Energy Technology Data Exchange (ETDEWEB)

    Budkov, Yu. A., E-mail: [G.A. Krestov Institute of Solution Chemistry of the Russian Academy of Sciences, Ivanovo (Russian Federation); National Research University Higher School of Economics, Moscow (Russian Federation); Department of Chemistry, Lomonosov Moscow State University, Moscow (Russian Federation); Vyalov, I. I. [Istituto Italiano di Tecnologia, via Morego 30, Genova 16163 (Italy); Kolesnikov, A. L. [Ivanovo State University, Ivanovo (Russian Federation); Institut für Nichtklassische Chemie e.V., Universitat Leipzig, Leipzig (Germany); Georgi, N., E-mail: [Max Planck Institute for Mathematics in the Sciences, Leipzig (Germany); Chuev, G. N. [Max Planck Institute for the Physics of Complex Systems, Dresden (Germany); Institute of Theoretical and Experimental Biophysics, Russian Academy of Science, Pushchino, Moscow Region (Russian Federation); Kiselev, M. G. [G.A. Krestov Institute of Solution Chemistry of the Russian Academy of Sciences, Ivanovo (Russian Federation); Department of Chemistry, Lomonosov Moscow State University, Moscow (Russian Federation)


    We investigate local phase transitions of the solvent in the neighborhood of a solvophobic polymer chain which is induced by a change of the polymer-solvent repulsion and the solvent pressure in the bulk solution. We describe the polymer in solution by the Edwards model, where the conditional partition function of the polymer chain at a fixed radius of gyration is described by a mean-field theory. The contributions of the polymer-solvent and the solvent-solvent interactions to the total free energy are described within the mean-field approximation. We obtain the total free energy of the solution as a function of the radius of gyration and the average solvent number density within the gyration volume. The resulting system of coupled equations is solved varying the polymer-solvent repulsion strength at high solvent pressure in the bulk. We show that the coil-globule (globule-coil) transition occurs accompanied by a local solvent evaporation (condensation) within the gyration volume.

  3. The local phase transitions of the solvent in the neighborhood of a solvophobic polymer at high pressures. (United States)

    Budkov, Yu A; Vyalov, I I; Kolesnikov, A L; Georgi, N; Chuev, G N; Kiselev, M G


    We investigate local phase transitions of the solvent in the neighborhood of a solvophobic polymer chain which is induced by a change of the polymer-solvent repulsion and the solvent pressure in the bulk solution. We describe the polymer in solution by the Edwards model, where the conditional partition function of the polymer chain at a fixed radius of gyration is described by a mean-field theory. The contributions of the polymer-solvent and the solvent-solvent interactions to the total free energy are described within the mean-field approximation. We obtain the total free energy of the solution as a function of the radius of gyration and the average solvent number density within the gyration volume. The resulting system of coupled equations is solved varying the polymer-solvent repulsion strength at high solvent pressure in the bulk. We show that the coil-globule (globule-coil) transition occurs accompanied by a local solvent evaporation (condensation) within the gyration volume.

  4. High-pressure phase equilibria for the methanol-ethylene system at 25/sup 0/C and 40/sup 0/C

    Energy Technology Data Exchange (ETDEWEB)

    Ohgaki, K.; Katayama, T.; Nishii, H.; Saito, T.


    Isothermal phase equilibria for the system methanol-ethylene were measured at 25/sup 0/C and 40/sup 0/C by a static method. At each temperature, an invisible boundary in a high-pressure equilibrium region was found by gas chromatographic analysis. For studying the phase behavior of the methanol-ethylene system, the critical loci for the system were estimated by using the Soave-Redlich-Kwong equation of state. The calculation shows that an isothermal phase equilibrium of the methanol-ethylene system exhibits one to three critical points.

  5. Experimental measurement and correlation of phase behavior for the CO{sub 2}+heptafluorobutyl acrylate and CO{sub 2}+heptafluorobutyl methacrylate systems at high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Yoon, Soon-Do; Byun, Hun-Soo [Chonnam National University, Yeosu (Korea, Republic of)


    Experimental data of high pressure phase behavior from 313.2 to 393.2 K and pressures up to about 14.3 MPa were reported for binary mixture of 2,2,3,3,4,4,4-heptafluorobutyl acrylate (HFBA) and 2,2,3,3,4,4,4-heptafluorobutyl methacrylate (HFBMA) in supercritical carbon dioxide. The high pressure experiment was performed by static method using variable-volume view cell apparatus. The CO{sub 2}+HFBA and CO{sub 2}+HFBMA systems are correlated with the Peng-Robinson equation of state using a van der Waals one-fluid mixing rule. The CO{sub 2}+HFBA and CO{sub 2}+HFBMA systems exhibit type-I phase behavior with continuous critical mixture curves.

  6. High-pressure phases in shock-induced melt veins of the Umbarger l6 chondrite: Constraints of shock pressure (United States)

    Xie, Zhidong; Sharp, Thomas G.


    We report a previously undocumented set of high-pressure minerals in shock-induced melt veins of the Umbarger L6 chondrite. High-pressure minerals were identified with TEM using selected-area electron diffraction, and energy-dispersive X-ray spectroscopy. Ringwoodite (Fa30), akimotoite (En11Fs89), and augite (En42Wo33Fs25) were found in the silicate matrix of the melt vein, representing the crystallization from a silicate melt during the shock pulse. Ringwoodite (Fa27) and hollandite-structured plagioclase were also found as polycrystalline aggregates in the melt vein, representing solid-state transformation or melting with subsequent crystallization of entrained host-rock fragments in the vein. In addition, Fe2SiO4-spinel (Fa66-Fa99) and stishovite crystallized from a FeO-SiO2-rich zone in the melt vein, which formed by shock melting of FeO-SiO2-rich material that had been altered and metasomatized prior to shock. Based on the pressure stabilities of the high-pressure minerals, ringwoodite, akimotoite, and Ca-clinopyroxene, the melt vein crystallized at approximately 18 GPa. The Fe2SiO4-spinel + stishovite assemblage in the FeO-SiO2-rich melts is consistent with crystallization of the melt-vein matrix at the pressure up to 18 GPa. The crystallization pressure of ?18 GPa is much lower than the 45-90 GPa pressure one would conclude from the S6 shock effects in melt veins (St?ffler et al. 1991) and somewhat less than the 25-30 GPa inferred from S5 shock effects (Schmitt 2000) found in the bulk rock.

  7. Study of cements silicate phases hydrated under high pressure and high temperature; Etude des phases silicatees du ciment hydrate sous haute pression et haute temperature

    Energy Technology Data Exchange (ETDEWEB)

    Meducin, F.


    This study concerns the durability of oil-well cementing. Indeed, in oil well cementing a cement slurry is pumped down the steel casing of the well up the annular space between it and the surrounding rock to support and protect the casing. The setting conditions of pressure and temperature may be very high (up to 1000 bar and 250 deg C at the bottom of the oil-well). In this research, the hydration of the main constituent of cement, synthetic tri-calcium silicate Ca{sub 3}SiO{sub 2}, often called C{sub 3}S (C = CaO; S = SiO{sub 2} and H H{sub 2}O), is studied. Calcium Silicate hydrates are prepared in high-pressure cells to complete their phase diagram (P,T) and obtain the stability conditions for each species. Indeed, the phases formed in these conditions are unknown and the study consists in the hydration of C{sub 3}S at different temperatures, pressures, and during different times to simulate the oil-well conditions. In a first step (until 120 deg C at ambient pressure) the C-S-H, a not well crystallized and non-stoichiometric phase, is synthesized: it brings adhesion and mechanical properties., Then, when pressure and temperature increase, crystallized phases appear such as jaffeite (Ca{sub 6}(Si{sub 2}O{sub 7})(OH){sub 6}) and hillebrandite (Ca{sub 2}(SiO{sub 3})(OH){sub 2}). Silicon {sup 29}Si Nuclear Magnetic Resonance (using standard sequences MAS, CPMAS) allow us to identify all the silicates hydrates formed. Indeed, {sup 29}Si NMR is a valuable tool to determine the structure of crystallized or not-well crystallized phases of cement. The characterization of the hydrated samples is completed by other techniques: X- Ray Diffraction and Scanning Electron Microscopy. The following results are found: jaffeite is the most stable phase at C/S=3. To simulate the hydration of real cement, hydration of C{sub 3}S with ground quartz and with or without super-plasticizers is done. In those cases, new phases appear: kilchoanite mainly, and xonotlite. A large amount of

  8. Flowing and pressurizing a solid-liquid two phase monodispersed fluid with high solid content in a transparent microfluidic high-pressure chip (United States)

    Andersson, M.; Mårtensson, G.; Klintberg, L.


    Handling highly concentrated solid-liquid two-phase fluids in microfluidics is challenging. In this paper, we present the first studies of flowing solder paste with a high solid content in a transparent high-pressure tolerant glass chip, thereby increasing the understanding of how multiphase liquids with high density difference between the phases behave in small channels (840 µm in diameter). The system, including a custom made high-pressure, low resistance, interface, was continuously operated at pressures up to of 6 MPa and devices where shown to have pressure tolerance up to 17 MPa. During flow through the chip, the packing density of the solder balls displayed inhomogeneity over the channel where chains of solder balls in contact with each other were formed together with voids. These in-homogeneities persisted along the channel during flow. The flow rate of the paste through the chip oscillated between 63 to 350 µm/s when pumping at constant volume rate of 30 µl/min. When a pressure of 2 MPa was applied, the volume of the solder paste particle segment decreased 1.6%, and 0.1% was elastically recovered when the pressure was released. It is concluded that this transparent microfluidic high-pressure glass chip with the special developed interface is suitable for flow studies of solder paste with a high solid content.

  9. High-pressure phases in shock-induced melt of the unique highly shocked LL6 chondrite Northwest Africa 757 (United States)

    Hu, Jinping; Sharp, Thomas G.


    Northwest Africa 757 is unique in the LL chondrite group because of its abundant shock-induced melt and high-pressure minerals. Olivine fragments entrained in the melt transform partially and completely into ringwoodite. Plagioclase and Ca-phosphate transform to maskelynite, lingunite, and tuite. Two distinct shock-melt crystallization assemblages were studied by FIB-TEM analysis. The first melt assemblage, which includes majoritic garnet, ringwoodite plus magnetite-magnesiowüstite, crystallized at pressures of 20-25 GPa. The other melt assemblage, which consists of clinopyroxene and wadsleyite, solidified at ~15 GPa, suggesting a second veining event under lower pressure conditions. These shock features are similar to those in S6 L chondrites and indicate that NWA 757 experienced an intense impact event, comparable to the impact event that disrupted the L chondrite parent body at 470 Ma.

  10. Phase formation in the (1-y)BiFeO3-yBiScO3 system under ambient and high pressure (United States)

    Salak, A. N.; Khalyavin, D. D.; Pushkarev, A. V.; Radyush, Yu. V.; Olekhnovich, N. M.; Shilin, A. D.; Rubanik, V. V.


    Formation and thermal stability of perovskite phases in the BiFe1-yScyO3 system (0≤y≤0.70) were studied. When the iron-to-scandium substitution rate does not exceed about 15 at%, the single-phase perovskite ceramics with the rhombohedral R3c symmetry (as that of the parent compound, BiFeO3) can be prepared from the stoichiometric mixture of the respective oxides at ambient pressure. Thermal treatment of the oxide mixtures with a higher content of scandium results in formation of two main phases, namely a BiFeO3-like R3c phase and a cubic (I23) sillenite-type phase based on γ-Bi2O3. Single-phase perovskite ceramics of the BiFe1-yScyO3 composition were synthesized under high pressure from the thermally treated oxide mixtures. When y is between 0 and 0.25 the high-pressure prepared phase is the rhombohedral R3c with the √2ap×√2ap×2√3ap superstructure (ap 4 Å is the pseudocubic perovskite unit-cell parameter). The orthorhombic Pnma phase (√2ap×4ap×2√2ap) was obtained in the range of 0.30≤y≤0.60, while the monoclinic C2/c phase (√6ap×√2ap×√6ap) is formed when y=0.70. The normalized unit-cell volume drops at the crossover from the rhombohedral to the orthorhombic composition range. The perovskite BiFe1-yScyO3 phases prepared under high pressure are metastable regardless of their symmetry. At ambient pressure, the phases with the compositions in the ranges of 0.20≤y≤0.25, 0.30≤y<0.50 and 0.50≤y≤0.70 start to decompose above 970, 920 and 870 K, respectively.

  11. Structural Phase Transition Accompanied by Metal - Insulator Transition in PrRu4P12


    Lee, C. H.; Matsuhata, H.; Yamamoto, A.; Ohta, T.; Takazawa, H.; Ueno, K.; Sekine, C.; Shirotani, I.; Hirayama, T.


    A structural phase transition has been found using electron diffraction technique in PrRu4P12 accompanied by a metal - insulator (M - I) transition (TMI = 60K). Weak superlattice spots appeared at (H, K, L) (H + K + L = 2n + 1; n is an integer) position at a temperature of T = 12 K and 40 K. Above T = 70 K, the spots completely vanished. The space group of the low temperature phase is probably Pm3. This is the first observation of a symmetry other than Im3 in skutterudite compounds.

  12. Room temperature synthesis of wurtzite phase nanostructured ZnS and accompanied enhancement in dielectric constant (United States)

    Virpal, Kumar, J.; Singh, G.; Singh, M.; Sharma, S.; Singh, R. C.


    We report the room temperature synthesis of ZnS in the wurtzite phase by using ethylenediamine, which acts as a template as well as a capping agent. With the addition of ethylenediamine, structural transformation in ZnS from cubic to wurtzite phase is observed. This is accompanied by an increase in the real permittivity by an order of 2, and reduction in dielectric loss by a factor of 6 as compared to a sample without ethylenediamine. Thus, suggesting that ethylenediamine capped wurtzite ZnS is more suitable for miniaturied capactive devices.

  13. The particle image velocimetry method in the study of the dynamics of phase transitions induced by high pressures in triolein and oleic acid (United States)

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


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

  14. In situ imaging of the dynamics of photo-induced structural phase transition at high pressures by picosecond acoustic interferometry (United States)

    Kuriakose, Maju; Chigarev, Nikolay; Raetz, Samuel; Bulou, Alain; Tournat, Vincent; Zerr, Andreas; Gusev, Vitalyi E.


    Picosecond acoustic interferometry is used to monitor in time the motion of the phase transition boundary between two water ice phases, VII and VI, coexisting at a pressure of 2.15 GPa when compressed in a diamond anvil cell at room temperature. By analyzing the time-domain Brillouin scattering signals accumulated for a single incidence direction of probe laser pulses, it is possible to access ratios of sound velocity values and of the refractive indices of the involved phases, and to distinguish between the structural phase transition and a recrystallization process. Two-dimensional spatial imaging of the phase transition dynamics indicates that it is initiated by the pump and probe laser pulses, preferentially at the diamond/ice interface. This method should find applications in three-dimensional monitoring with nanometer spatial resolution of the temporal dynamics of low-contrast material inhomogeneities caused by phase transitions or chemical reactions in optically transparent media.

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

    Energy Technology Data Exchange (ETDEWEB)

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


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

  16. Theoretical calculations of high-pressure phases of NiF2: An ab initio constant-pressure study (United States)

    Kürkçü, Cihan; Merdan, Ziya; Öztürk, Hülya


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

  17. The effect of morphology and confinement on the high-pressure phase transition in ZnO nanostructure

    Energy Technology Data Exchange (ETDEWEB)

    Kotmool, Komsilp; Bovornratanaraks, Thiti, E-mail: [Center of Excellence in Forum for Theoretical Science, Department of Physics, Faculty of Science, Chulalongkorn University, Bangkok 10330 (Thailand); Chakraborty, Sudip [Condensed Matter Theory Group, Department of Physics, University of Uppsala, Box 530, SE 75121 Uppsala (Sweden); Ahuja, Rajeev [Condensed Matter Theory Group, Department of Physics, University of Uppsala, Box 530, SE 75121 Uppsala (Sweden); Applied Materials Physics, Department of Materials and Engineering, Royal Institute of Technology (KTH), S-100 44 Stockholm (Sweden)


    The transition pressure (P{sub t}) of the B4-to-B1 phase transformation of zinc oxide nanoparticle (n-ZnO) structures was investigated in terms of their size and morphology. Nanorods, nanopencils, nanopyramids, nanowires, and nanotubes of the B4 phase in various sizes were directly built up by accounting for the atomic basis of the core and surface regions. The previously proposed transformation path was performed for constructing shapes and sizes compatible with B1 phases. Using systematic density functional theory, the surfaces were cleaved from the optimized crystal structures at different pressures in both the B4 and B1 phases. A method for calculating the surface energy at different pressures is proposed using an asymmetric slab model. Using the proposed model, the transition pressure of n-ZnO structures was found to significantly depend on their morphology and size, which is in good agreement with the available experimental reports.

  18. The effect of morphology and confinement on the high-pressure phase transition in ZnO nanostructure (United States)

    Kotmool, Komsilp; Bovornratanaraks, Thiti; Chakraborty, Sudip; Ahuja, Rajeev


    The transition pressure (Pt) of the B4-to-B1 phase transformation of zinc oxide nanoparticle (n-ZnO) structures was investigated in terms of their size and morphology. Nanorods, nanopencils, nanopyramids, nanowires, and nanotubes of the B4 phase in various sizes were directly built up by accounting for the atomic basis of the core and surface regions. The previously proposed transformation path was performed for constructing shapes and sizes compatible with B1 phases. Using systematic density functional theory, the surfaces were cleaved from the optimized crystal structures at different pressures in both the B4 and B1 phases. A method for calculating the surface energy at different pressures is proposed using an asymmetric slab model. Using the proposed model, the transition pressure of n-ZnO structures was found to significantly depend on their morphology and size, which is in good agreement with the available experimental reports.

  19. Phase transitions and equation of state of CsI under high pressure and the development of a focusing system for x-rays

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Yan.


    The phase transitions and equation of state of ionic solid cesium iodide were studied under high pressure and room temperature in a diamond anvil cell. The studies were carried out using both energy dispersive and angular dispersive diffraction methods on synchrotron radiation sources over the pressure range from atmospheric pressure to over 300 gigapascals (3 million atmospheres). CsI undergoes a distinct phase transition at about 40 GPa, a pressure that is much lower than the reported insulator-metal transition at 110 GPa, from the atmospheric pressure B2(CsCl) structure to an orthorhombic structure. At higher pressures, a continuous distortion in the structure was observed with a final structure similar to a hcp lattice under ultra high pressure. No volume discontinuity was observed at the insulator-metal transition. The newly found transition sequence is different from the result of previous static compression studies. The current structure has a smaller unit cell volume than the previous assignment. This has resolved a long existing controversy among the previous static compression studies, the dynamic compression studies, and the theoretical studies. The current results also explain the apparent discrepancy between the present study and the previous static studies. We also present the development of a focusing system for high energy x-rays (> 12 keV) that is particularly suited for high pressure diffraction studies. This system uses a pair of multilayer coated spherical mirrors in a Kirkpatrick-Baez geometry. A focused beam size less than 10 micron in diameter can be readily achieved with sufficient intensity to perform diffraction studies. 93 refs., 46 figs., 15 tabs.

  20. High-pressure mineral phases of olivine (Mg2SiO4) formed by pre-compression followed by laser-driven hypervelocity shock impact (United States)

    Turner, A. A.; Tschauner, O. D.; Zaug, J. M.; Stavrou, E.; Armstrong, M.


    Understanding high-pressure phase transitions of olivine is a growing sphere of interest for Geoscientists, as olivine is an abundant mineral in the upper mantle of the Earth as well as pre-shocked meteorites. Knowledge of extreme condition olivine chemistry will provide insight into the process of shock metamorphism, which alters the composition and texture of materials during bolide impact and under extreme terrestrial conditions. The intention of investigating olivine under high pressures is to determine under what conditions the silicate spinel Ringwoodite (γ-Mg2SiO4), a high-pressure phase of olivine, is synthesized in shock-metamorphosed meteorites and to explore the nature of olivine beyond the phase boundary of Ringwoodite. Queries posed for these experiments focus primarily on what possible phases form as the result of compressing olivine to pressures above the 40 GPa, the likelihood of those phases to be conserved upon shock release, and what retrograde transformation products could possibly be generated from olivine under such pressures. Two independent endmember specimens (forsterite) of single crystal olivine (Mg2SiO4) were coated with 2.5 µm of aluminum and pre-compressed to 25 and 35 GPa, respectively in a diamond anvil cell. Lithium fluoride served as the pressure-transmitting medium. The specimens were then exposed to a laser-driven hypervelocity shock impact (400 picosecond duration) in order to investigate what phases if any form under more extreme pressures and dynamic stress states. The addition of laser-driven hypervelocity shock added 18 GPa of pressure to the pre-compressed samples, for a total of 43 and 53 GPa, respectively. From the analysis of the x-ray diffraction (XRD) measurements, it was determined that the olivine underwent a reduction of silicon and oxidation of the aluminum coating. These are fascinating observations revealed from a combined static and shock compression experiment. This work was performed under the auspices of

  1. High pressure phases in NWA 8711, a shock melted L6 chondrite from Northwest Africa: a combined Raman and EMPA study. (United States)

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

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

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

    CERN Document Server

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


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

  3. Tunable high pressure lasers (United States)

    Hess, R. V.


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

  4. Predicting the High-Pressure Phase Equilibria of Binary Mixtures of n-Alkanes Using the SAFT-VR Approach (United States)

    McCabe, C.; Galindo, A.; Gil-Villegas, A.; Jackson, G.


    The phase behavior of selected alkane binary mixtures is studied using SAFT-VR, a version of the statistical associating fluid theory for potentials of variable attractive range (SAFT). We treat the n-alkane molecules as chains formed from united-atom hard-sphere segments with square-well potentials of variable range to describe the attractive interactions. We use a simple relationship between the number of carbon atoms in the n-alkane molecule and the number of segments in the united atom chains in order to predict the phase behavior of n-butane with other n-alkanes. The calculated vapor pressures and saturated liquid densities of the pure components are fitted to experimental data from the triple point to the critical point. These optimized parameters are rescaled by the respective experimental critical points and used to determine the critical lines and phase behavior of the mixtures. We use the Lorentz-Berthelot combining rule for the unlike interactions. We predict the phase behavior of n-butane + n-alkane binary mixtures, concentrating mainly on the critical region. The gas-liquid critical lines predicted by SAFT-VR for the n-alkane mixtures are in excellent agreement with the experimental data, and improve significantly on the results obtained with the simpler SAFT-HS approach where the attractive interactions are treated at the mean-field level.

  5. Quantum Monte Carlo Computations of Phase Stability, Equations of State, and Elasticity of High-Pressure Silica (United States)

    Driver, K. P.; Cohen, R. E.; Wu, Z.; Militzer, B.; Ríos, P. L.; Towler, M. D.; Needs, R. J.; Wilkins, J. W.


    Silica (SiO2) is an abundant component of the Earth whose crystalline polymorphs play key roles in its structure and dynamics. First principle density functional theory (DFT) methods have often been used to accurately predict properties of silicates, but fundamental failures occur. Such failures occur even in silica, the simplest silicate, and understanding pure silica is a prerequisite to understanding the rocky part of the Earth. Here, we study silica with quantum Monte Carlo (QMC), which until now was not computationally possible for such complex materials, and find that QMC overcomes the failures of DFT. QMC is a benchmark method that does not rely on density functionals but rather explicitly treats the electrons and their interactions via a stochastic solution of Schrödinger's equation. Using ground-state QMC plus phonons within the quasiharmonic approximation of density functional perturbation theory, we obtain the thermal pressure and equations of state of silica phases up to Earth's core-mantle boundary. Our results provide the best constrained equations of state and phase boundaries available for silica. QMC indicates a transition to the dense α-PbO2 structure above the core-insulating D" layer, but the absence of a seismic signature suggests the transition does not contribute significantly to global seismic discontinuities in the lower mantle. However, the transition could still provide seismic signals from deeply subducted oceanic crust. We also find an accurate shear elastic constant for stishovite and its geophysically important softening with pressure.

  6. High pressure phase equilibrium of ternary and multicomponent alkane mixtures in the temperature range from (283–473) K

    DEFF Research Database (Denmark)

    Regueira Muñiz, Teresa; Liu, Yiqun; Wibowo, Ahmad A.


    Asymmetric multicomponent alkane mixtures can be used as model systems for reservoir fluids. We have prepared two ternary mixtures, methane/n-butane/n-decane and methane/n-butane/n-dodecane, and two multicomponent mixtures composed of methane/n-butane/n-octane/n-dodecane/n-hexadecane/n-eicosane a......Asymmetric multicomponent alkane mixtures can be used as model systems for reservoir fluids. We have prepared two ternary mixtures, methane/n-butane/n-decane and methane/n-butane/n-dodecane, and two multicomponent mixtures composed of methane......-Redlich-Kwong (SRK), Peng-Robinson (PR), Perturbed Chain Statistical Associating Fluid Theory (PC-SAFT), and Soave-Benedict-Webb-Rubin (Soave-BWR), have been used to predict phase equilibrium of the measured systems. PR and PC-SAFT give better results than others and Soave-BWR gives poor phase envelope predictions...... the fractions just below the saturation pressures are difficult to predict. Moreover GERG-2008 has also been tested with the measured methane/n-butane/n-decane system. It over predicts the saturation pressures but predicts low pressure liquid fractions quite accurately....

  7. Preliminary phase relations involving glaucophane and applications to high pressure petrology: new heat capacity and thermodynamic data (United States)

    Holland, Timothy J. B.


    New heat capacity measurements and cell volume data are presented for a very magnesian glaucophane from a Tauern Window eclogite. These data are combined with estimated entropy, thermal expansion, and compressibility data to generate an enthalpy of formation for glaucophane from experimentally determined phase equilibria. The data are supported by preliminary experiments of the author and provide consistent calculations on the pressure of formation of the Tauern eclogites and on the position of the blueschist-greenschist transformation reaction as studied experimentally by Maruyama et al. (1986). The resulting thermodynamic data for glaucophane may be combined with the dataset of Holland and Powell (1985) to calculate phase relations for blueschists and eclogites. The stability of magnesian glaucophane lies in the pressure range between 8 and 32 kbars at 400° C and between 13 and 33 kbars at 600° C, and the unusual eclogite assemblage of glaucophane+kyanite from the Tauern Window is restricted to pressures above 20 kbars at high water activity.

  8. Intermolecular Interactions at high pressure

    DEFF Research Database (Denmark)

    Eikeland, Espen Zink


    In this project high-pressure single crystal X-ray diffraction has been combined with quantitative energy calculations to probe the energy landscape of three hydroquinone clathrates enclosing different guest molecules. The simplicity of the hydroquinone clathrate structures together with their st......In this project high-pressure single crystal X-ray diffraction has been combined with quantitative energy calculations to probe the energy landscape of three hydroquinone clathrates enclosing different guest molecules. The simplicity of the hydroquinone clathrate structures together....... High-pressure crystallography is the perfect method for studying intermolecular interactions, by forcing the molecules closer together. In all three studied hydroquinone clathrates, new pressure induced phase transitions have been discovered using a mixture of pentane and isopentane as the pressure...... transmitting medium. Through careful structural analysis combined with theoretical calculations, the structures of all the new high-pressure phases identified herein were determined. In the hydroquinone - methanol and hydroquinone - acetonitrile clathrate structures the phase transitions break the host...

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

    CERN Document Server

    Ahuja, R


    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.

  10. Room-temperature polar ferromagnet ScFeO3 transformed from a high-pressure orthorhombic perovskite phase. (United States)

    Kawamoto, Takahiro; Fujita, Koji; Yamada, Ikuya; Matoba, Tomohiko; Kim, Sung Joo; Gao, Peng; Pan, Xiaoqing; Findlay, Scott D; Tassel, Cédric; Kageyama, Hiroshi; Studer, Andrew J; Hester, James; Irifune, Tetsuo; Akamatsu, Hirofumi; Tanaka, Katsuhisa


    Multiferroic materials have been the subject of intense study, but it remains a great challenge to synthesize those presenting both magnetic and ferroelectric polarizations at room temperature. In this work, we have successfully obtained LiNbO3-type ScFeO3, a metastable phase converted from the orthorhombic perovskite formed under 15 GPa at elevated temperatures. A combined structure analysis by synchrotron X-ray and neutron powder diffraction and high-angle annular dark-field scanning transmission electron microscopy imaging reveals that this compound adopts the polar R3c symmetry with a fully ordered arrangement of trivalent Sc and Fe ions, forming highly distorted ScO6 and FeO6 octahedra. The calculated spontaneous polarization along the hexagonal c-axis is as large as 100 μC/cm(2). The magnetic studies show that LiNbO3-type ScFeO3 is a weak ferromagnet with TN = 545 K due to a canted G-type antiferromagnetic ordering of Fe(3+) spins, representing the first example of LiNbO3-type oxides with magnetic ordering far above room temperature. A comparison of the present compound and rare-earth orthorhombic perovskites RFeO3 (R = La-Lu and Y), all of which possess the corner-shared FeO6 octahedral network, allows us to find a correlation between TN and the Fe-O-Fe bond angle, indicating that the A-site cation-size-dependent octahedral tilting dominates the magnetic transition through the Fe-O-Fe superexchange interaction. This work provides a general and versatile strategy to create materials in which ferroelectricity and ferromagnetism coexist at high temperatures.

  11. A numerical study of the gas-liquid, two-phase flow maldistribution in the anode of a high pressure PEM water electrolysis cell

    DEFF Research Database (Denmark)

    Olesen, Anders Christian; Rømer, Carsten; Kær, Søren Knudsen


    In this work, the use of a circular-planar, interdigitated flow field for the anode of a high pressure proton exchange membrane (PEM) water electrolysis cell is investigated in a numerical study. While PEM fuel cells have separated flow fields for reactant transport and coolant, it is possible...... to operate a PEM electrolysis cell with the anode flow field serving as both. This allows for a simpler system and a thinner design, however sets new and more strict requirements for the flow field to distribute uniformly. For the present study, two computational fluid dynamics models are developed; a single...... causes maldistribution, if land areas of equal width are applied. Moreover, below a water stoichiometry of 350, and at a current density of 1 A/cm2, flow and temperature maldistribution is adversely affected by the presence of the gas phase; particularly gas hold-up near outlet channels can cause...

  12. Construction of a Direct Water-Injected Two-Stroke Engine for Phased Direct Fuel Injection-High Pressure Charging Investigations (United States)

    Somsel, James P.


    The development of a water injected Orbital Combustion Process (OCP) engine was conducted to assess the viability of using the powerplant for high altitude NASA aircraft and General Aviation (GA) applications. An OCP direct fuel injected, 1.2 liter, three cylinder, two-stroke engine has been enhanced to independently inject water directly into the combustion chamber. The engine currently demonstrates low brake specific fuel consumption capability and an excellent power to weight ratio. With direct water injection, significant improvements can be made to engine power, to knock limits/ignition advance timing, and to engine NO(x) emissions. The principal aim of the testing was to validate a cyclic model developed by the Systems Analysis Branch at NASA Ames Research Center. The work is a continuation of Ames' investigations into a Phased Direct Fuel Injection Engine with High Pressure Charging (PDFI-ITPC).

  13. High-pressure sequence of Ba3NiSb2O9 structural phases: new S = 1 quantum spin liquids based on Ni2+. (United States)

    Cheng, J G; Li, G; Balicas, L; Zhou, J S; Goodenough, J B; Xu, Cenke; Zhou, H D


    Two new gapless quantum spin-liquid candidates with S = 1 (Ni(2+)) moments: the 6H-B phase of Ba(3)NiSb(2)O(9) with a Ni(2+)-triangular lattice and the 3C phase with a Ni(2/3)Sb(1/3)-three-dimensional edge-shared tetrahedral lattice were obtained under high pressure. Both compounds show no magnetic order down to 0.35 K despite Curie-Weiss temperatures θ(CW) of -75.5 (6H-B) and -182.5 K (3C), respectively. Below ~25 K, the magnetic susceptibility of the 6H-B phase saturates to a constant value χ(0) = 0.013 emu/mol, which is followed below 7 K by a linear-temperature-dependent magnetic specific heat (C(M)) displaying a giant coefficient γ = 168 mJ/mol K(2). Both observations suggest the development of a Fermi-liquid-like ground state. For the 3C phase, the C(M) perpendicular T(2) behavior indicates a unique S = 1, 3D quantum spin-liquid ground state.

  14. The nonlinear anomalous lattice elasticity associated with the high-pressure phase transition in spodumene: a high-precision static compression study (United States)

    Ullrich, Angela; Schranz, Wilfried; Miletich, Ronald


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

  15. Elastic behaviour and high-pressure phase transition of the P21/n LiAlGe2O6pyroxene (United States)

    Artac, Andreas; Miletich-Pawliczek, Ronald; Nestola, Fabrizio; Redhammer, Günther J.; Secco, Luciano


    In a recent work by Redhammer et al. (2012), investigating a synthetic pyroxene sample with composition LiAlGe2O6, a new space group for the big family of pyroxenes has been surprisingly discovered renewing the interest for Li-bearing pyroxene compounds. Actually, the authors of that work intended to investigate the effect of the Si-Ge substitution on the high-pressure behaviour and possibly on the phase transition with respect to spodumene, LiAlSi2O6, investigated by Arlt and Angel in 2000. Spodumene in fact, not only shows a strong first order phase transition at 3.19 GPa from C2/c to P21/c but the low symmetry C2/c shows the greatest bulk modulus never found in pyroxenes (i.e. 144.2 GPa with the first pressure derivative fixed to 4). Redhammer et al. (2012) discovered that substituting Si for Ge in the spodumene structure the effect is dramatic in terms of symmetry change at room conditions with the Ge-spodumene showing a P21/n space group, first discovery of such symmetry in the big family of pyroxene. In this work we loaded one crystal of LiAlGe2O6 in a diamond-anvil cell and investigated the elastic behaviour and its possible high-pressure phase transition by single-crystal X-ray diffraction. In detail, we measured the unit-cell parameters using a Huber four-circle diffractometer equipped with a point detector up to about 9 GPa. The crystal structure was measured at different pressures loading simultaneously two fragments of the same crystal with a different orientation in the same diamond-anvil cell in order to cover a wider portion of the reciprocal space. The intensity data were measured on a STADI IV four-circle diffractometer equipped with a CCD using a diamond-backing plate cell, which gives better structural results with respect to a beryllium backing plate one (i.e. Periotto et al. 2011). The first important result of our work is that we found at about 5.2 GPa a very strong first-order phase transformation from P21/n to P21/c and this is the first

  16. High pressure synthesis of a hexagonal close-packed phase of the high-entropy alloy CrMnFeCoNi

    Energy Technology Data Exchange (ETDEWEB)

    Tracy, Cameron L.; Park, Sulgiye; Rittman, Dylan R.; Zinkle, Steven J.; Bei, Hongbin; Lang, Maik; Ewing, Rodney C.; Mao, Wendy L.


    High-entropy alloys, near-equiatomic solid solutions of five or more elements, represent a new strategy for the design of materials with properties superior to those of conventional alloys. However, their phase space remains constrained, with transition metal high-entropy alloys exhibiting only face- or body-centered cubic structures. Here, we report the high-pressure synthesis of a hexagonal close-packed phase of the prototypical high-entropy alloy CrMnFeCoNi. This martensitic transformation begins at 14 GPa and is attributed to suppression of the local magnetic moments, destabilizing the initial fcc structure. Similar to fcc-to-hcp transformations in Al and the noble gases, the transformation is sluggish, occurring over a range of >40 GPa. However, the behaviour of CrMnFeCoNi is unique in that the hcp phase is retained following decompression to ambient pressure, yielding metastable fcc-hcp mixtures. This demonstrates a means of tuning the structures and properties of high-entropy alloys in a manner not achievable by conventional processing techniques.

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

    Energy Technology Data Exchange (ETDEWEB)

    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.


    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.

  18. High pressure annular two-phase flow in a narrow duct. Part 1: Local measurements in the droplet field, and Part 2: Three-field modeling

    Energy Technology Data Exchange (ETDEWEB)

    Trabold, T.A.; Kumar, R. [Lockheed Martin Corp., Schenectady, NY (United States)


    In Part 1, detailed measurements were made in a high pressure, adiabatic (boiled at the inlet) annular flow in a narrow, high aspect ratio duct using a gamma densitometer, hot-film anemometer and high-speed video photography. Measurements of void fraction, droplet frequency, velocity, drop size, and interfacial area concentration have been made to support the three field computational capability. An important aspect of this testing is the use of a modeling fluid (R-134a) in a vertical duct which permits visual access in annular flow. This modeling fluid accurately simulates the low liquid-to-vapor density ratio of steam-water flows at high pressures. These measurements have been taken in a narrow duct of hydraulic diameter 4.85 mm, and a cross-section aspect ratio of 22.5. However, the flow displays profiles of various shapes not only in the narrow dimension, but also in the width dimension. In particular, the shape of the droplet profiles depends on the entrained droplet flux from the edges in the vapor core. The average diameter from these profiles compare well with the models developed in the literature. Interfacial area concentration for these low density ratio flows is higher than the highest concentration reported for air-water flows. Video records show that along with the bow-shaped waves, three-dimensional {lambda}-shaped waves appear in annular flows for high flow rates. Part 2 outlines the development of a three-field modeling approach in annular flow and the predictive capability of an analysis code. Models have been developed here or adapted from the literature for the thin film near the wall as well as the droplets in the vapor core, and have been locally applied in a fully developed, two-phase adiabatic boiling annular flow in a duct heated at the inlet at high pressure. Numerical results have been obtained using these models that are required for the closure of the continuity and momentum equations. The two-dimensional predictions are compared with

  19. High-pressure microfluidics (United States)

    Hjort, K.


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

  20. Relationship Between the 3D Porosity and β-Phase Distributions and the Mechanical Properties of a High Pressure Die Cast AZ91 Mg Alloy (United States)

    Biswas, Somjeet; Sket, Federico; Chiumenti, Michele; Gutiérrez-Urrutia, Iván; Molina-Aldareguía, Jon M.; Pérez-Prado, Maria Teresa


    Currently, most magnesium lightweight components are fabricated by casting as this process is cost effective and allows forming parts with complex geometries and weak textures. However, cast microstructures are known to be heterogeneous and contain unpredictable porosity distributions, which give rise to a large variability in the mechanical properties. This work constitutes an attempt to correlate the microstructure and the mechanical behavior of a high pressure die cast (HPDC) Mg AZ91 alloy, aimed at facilitating process optimization. We have built a stairway-shaped die to fabricate alloy sections with different thicknesses and, thus, with a range of microstructures. The grain size distributions and the content of β-phase (Mg17Al12) were characterized by optical and electron microscopy techniques as well as by electron backscatter diffraction (EBSD). The bulk porosity distribution was measured by 3D computed X-ray microtomography. It was found that the through-thickness microhardness distribution is mostly related to the local area fraction of the β-phase and to the local area fraction of the pores. We correlate the tensile yield strength to the average pore size and the fracture strength and elongation to the bulk porosity volume fraction. We propose that this empirical approach might be extended to the estimation of mechanical properties in other HPDC Mg alloys.

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

    Energy Technology Data Exchange (ETDEWEB)

    Byun, Hun-Soo [Department of Chemical System Engineering, Chonnam National University, Yeosu, Jeonnam 550-749 (Korea, Republic of)]. E-mail:; Choi, Min-Yong [Department of Chemical System Engineering, Chonnam National University, Yeosu, Jeonnam 550-749 (Korea, Republic of)


    Experimental data of high pressure phase behaviour for binary mixtures of {l_brace}carbon dioxide + 2-hydroxyethyl methacrylate (HEMA){r_brace}, {l_brace}carbon dioxide + 2-hydroxypropyl acrylate (HPA){r_brace}, and {l_brace}carbon dioxide + 2-hydroxypropyl methacrylate (HPMA){r_brace} 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 {sub ij} and {eta} {sub 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.

  2. In vivo biosynthesis of L-(/sup 35/S)Cys-arginine vasopressin, -oxytocin, and -somatostatin: rapid estimation using reversed phase high pressure liquid chromatography. [Rats

    Energy Technology Data Exchange (ETDEWEB)

    Franco-Bourland, R.E.; Fernstrom, J.D.


    L(/sup 35/S)Cys-arginine vasopressin, -oxytocin, and -somatostatin were purified from hypothalami and neurohypophyses 4 h after rats received L(/sup 35/S)Cys via the third ventricle. After acetic acid extraction, Sephadex G-25 filtration, and chemoadsorption to C18-silica (Sep-Pak cartridges), the labeled peptides were rapidly separated by gradient elution, reversed phase, high pressure liquid chromatography (HPLC). The identity and isotopic purity of the labeled peptides were determined by several reversed phase HPLC procedures in conjunction with chemical modification. The labeled peptide fractions were at least 50% radiochemically pure. Using this HPLC isolation procedure, incorporation of L-(/sup 35/S)Cys into each peptide was determined in hydrated and dehydrated rats. Label incorporation into arginine vasopressin and oxytocin in the hypothalamus and the neurohypophysis of dehydrated rats was 2-3 times greater than that in hydrated rats. Incorporation of label into hypothalamic and neurohypophyseal somatostatin was unaffected by the hydration state of the animal. This procedure thus provides a very rapid, but sensitive, set of techniques for studying the control of small peptide biosynthesis in the brain.

  3. Phase behavior for the poly(2-methoxyethyl acrylate)+supercritical solvent+cosolvent mixture and CO{sub 2}+2-methoxyethyl acrylate system at high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Jang, Yoon-Seok; Choi, Yong Seok; Byun, Hun-Soo [Chonnam National University, Yeosu (Korea, Republic of)


    High pressures phase equilibrium data were presented for the CO{sub 2}+2-MEA system at temperatures ranging from (313.2 to 393.2) K and pressures up to ca. 17.97MPa. The CO{sub 2}+2-MEA system exhibited type-I phase behavior and was modeled using the Peng-Robinson equation of state. The phase behavior data were reported for poly(2-methoxyethyl acrylate) [P(2-MEA)] in supercritical CO{sub 2} and dimethyl ether (DME), as well as for the P(2-MEA)+2-methoxyethyl acrylate (2-MEA) (or DME) in CO{sub 2}. The cloud-point data were measured for the P(2-MEA)+DME in supercritical CO{sub 2} at temperature range of (333-453) K and a pressure range of (8.79-199.14) MPa. The P(2-MEA) in supercritical CO{sub 2} was soluble to 453 K and pressure of 199MPa. The phase behavior for the P(2-MEA)+CO{sub 2}+2-MEA mixture was measured in changes of the pressure-temperature (p, T) slope and with 2-MEA mass fraction of 0.0 wt%, 8.4 wt%, 17.1 wt%, 45.4 wt% and 65.0wt%. With 74.5 wt% 2-MEA to the P(2-MEA)+CO{sub 2} solution, the cloud-point curves took on the appearance of a typical lower critical solution temperature boundary, liquid+liquid transition and liquid+vapor transition. The location of the P(2-MEA)+CO{sub 2} cloud-point curve shifted to lower temperatures and pressures upon the addition of 2-MEA or DME.

  4. Investigation of the Influence of Sucrose and Cholesterol on the Phase Transition Temperature of nanoliposomal formulation besides using particle size Reduction Techniques (Ultrasonication/High Pressure Homogenization

    Directory of Open Access Journals (Sweden)

    Z Malaei-Balasi


    Full Text Available Introduction: The successful application of nanoliposoms as an effective drug delivery system depends on their stability in the medium. In this article, influence of additive materials such as cholesterol and sucrose besides two natural and synthesized phospholipids have been investigated. Methods: In the present study, designing and synthesis of nanoliposomal formulations were prepared using thin film method. This liposomal suspension was downsized by two methods, the high-pressure homogenizer and ultrasound to form small unilamellar vesicles. The size distributions, zeta potentials and phase transition temperature of formulations were all determined by a zetasizer and differential scanning calorimetry(DSC. In addition, the contribution of nanoliposomal formulation has been investigated by HPLC and FTIR methods. Results: Results of the DSC measurments indicated that incorporation of unsaturated phospholipid (SOY PC may cause phase separation with partial miscibility in the liposome bilayer containing of DPPG. The optimal nanoliposomal formulation was composed of (DPPC: CHOL: mPEG2000-DSPE with the mole percents equal to (83:15:2, respectively. In addition, sucrose has been used in the formulation with a total amounts six times greater than that of the lipids. The properties of optimized nanoliposome have been shown as the size average 104nm, zeta potential 8.04mv and phase transition temperature of lipid less than 37°C which were stable enough to be utilized for loading and releasing bioactives in body temperature. Conclusion: Finally the produced nanoliposomes were stable vesicles in the proper size, phase transition temperature and surface charge without any aggregation and fusion.

  5. High-pressure high-temperature phase relations in FeTiO3 up to 35 GPa and 1600 °C (United States)

    Akaogi, M.; Abe, K.; Yusa, H.; Ishii, T.; Tajima, T.; Kojitani, H.; Mori, D.; Inaguma, Y.


    Phase relations in FeTiO3 were precisely determined at 25-35 GPa and 600-1600 °C using multianvil high-pressure experiments with tungsten carbide anvils. Pressure generation up to about 36 GPa at 1600 °C was evaluated using Al2O3 solubility in MgSiO3 perovskite (Pv) in the system MgSiO3-Al2O3. At about 28 GPa, FeTiO3 Pv dissociates into an assemblage of calcium titanate (CT)-type Fe2TiO4 + orthorhombic-I (OI)-type TiO2 below 1200 °C. However, above 1200 °C at 28 GPa, FeTiO3 Pv decomposes into a new, denser phase assemblage of CT-type Fe2TiO4 + a new compound of FeTi2O5. The new phase FeTi2O5 was recovered as an amorphous phase at 1 atm. In situ X-ray diffraction experiments at 35.1 GPa indicated that the new phase (N-p) FeTi2O5 has orthorhombic symmetry with cell parameters a = 8.567(2) Å, b = 5.753(1) Å and c = 5.257(1) Å. In addition, the assemblage of CT-type Fe2TiO4 + OI-type TiO2 changes to FeO wüstite (Wu) + OI-type TiO2 at about 33 GPa below 1000 °C. The phase assemblages in FeTiO3 are denser in the order: FeTiO3 (Pv) → 1/2Fe2TiO4 (CT) + 1/2TiO2 (OI) → 1/3Fe2TiO4 (CT) + 1/3FeTi2O5 (N-p) → FeO (Wu) + TiO2 (OI). Our results indicate that the upper stability limit of FeTiO3 Pv is about 28 GPa at 600-1600 °C. This puts a constraint on peak shock pressure for formation of naturally discovered lithium niobate-type FeTiO3 which was interpreted to be retrograde transition product of FeTiO3 Pv on release of shock pressure.

  6. A rapid, sensitive and validated method for the determination of ondansetron in human plasma by reversed-phase high-pressure liquid chromatography. (United States)

    Chandrasekar, Durairaj; Ramakrishna, Sistla; Diwan, Prakash V


    A simple and sensitive method for the determination of ondansetron (CAS 116002-70-1) in human plasma was developed using high-pressure liquid chromatography (HPLC). The procedure involves extraction of human plasma with tertiary butyl methyl ether containing 2 mol/l sodium hydroxide, followed by reversed-phase HPLC using a LiChrospher 100 RP-18e 5 microm column and UV detection at 305 nm. The retention times of ondansetron and internal standard (propranolol hydrochloride, CAS 318-98-9) were 9.38 and 13.40 min, respectively. The calibration curves were linear over the range of 10 ng/ml (lower limit of quantitation, LOQ) and 380 ng/ml for ondansetron. The intra- and inter-assay coefficients of variation for all the criteria of validation were less than 15% over the linearity range. Ondansetron was stable upon storage in human plasma. The sensitivity and precision of the method were within the accepted limits (< 15 %) throughout the validation period. The present method is useful for determination of plasma concentrations of ondansetron during human pharmacokinetic studies.

  7. High Pressure Size Exclusion Chromatography (HPSEC) Determination of Dissolved Organic Matter Molecular Weight Revisited: Accounting for Changes in Stationary Phases, Analytical Standards, and Isolation Methods. (United States)

    McAdams, Brandon C; Aiken, George R; McKnight, Diane M; Arnold, William A; Chin, Yu-Ping


    We reassessed the molecular weight of dissolved organic matter (DOM) determined by high pressure size exclusion chromatography (HPSEC) using measurements made with different columns and various generations of polystyrenesulfonate (PSS) molecular weight standards. Molecular weight measurements made with a newer generation HPSEC column and PSS standards from more recent lots are roughly 200 to 400 Da lower than initial measurements made in the early 1990s. These updated numbers match DOM molecular weights measured by colligative methods and fall within a range of values calculated from hydroxyl radical kinetics. These changes suggest improved accuracy of HPSEC molecular weight measurements that we attribute to improved accuracy of PSS standards and changes in the column packing. We also isolated DOM from wetlands in the Prairie Pothole Region (PPR) using XAD-8, a cation exchange resin, and PPL, a styrene-divinylbenzene media, and observed little difference in molecular weight and specific UV absorbance at 280 nm (SUVA 280 ) between the two solid phase extraction resins, suggesting they capture similar DOM moieties. PPR DOM also showed lower SUVA 280 at similar weights compared to DOM isolates from a global range of environments, which we attribute to oxidized sulfur in PPR DOM that would increase molecular weight without affecting SUVA 280 .

  8. High-pressure synthesis, crystal structure, and phase stability relations of a LiNbO3-type polar titanate ZnTiO3 and its reinforced polarity by the second-order Jahn-Teller effect. (United States)

    Inaguma, Yoshiyuki; Aimi, Akihisa; Shirako, Yuichi; Sakurai, Daichi; Mori, Daisuke; Kojitani, Hiroshi; Akaogi, Masaki; Nakayama, Masanobu


    A polar LiNbO3-type (LN-type) titanate ZnTiO3 has been successfully synthesized using ilmenite-type (IL-type) ZnTiO3 under high pressure and high temperature. The first principles calculation indicates that LN-type ZnTiO3 is a metastable phase obtained by the transformation in the decompression process from the perovskite-type phase, which is stable at high pressure and high temperature. The Rietveld structural refinement using synchrotron powder X-ray diffraction data reveals that LN-type ZnTiO3 crystallizes into a hexagonal structure with a polar space group R3c and exhibits greater intradistortion of the TiO6 octahedron in LN-type ZnTiO3 than that of the SnO6 octahedron in LN-type ZnSnO3. The estimated spontaneous polarization (75 μC/cm(2), 88 μC/cm(2)) using the nominal charge and the Born effective charge (BEC) derived from density functional perturbation theory, respectively, are greater than those of ZnSnO3 (59 μC/cm(2), 65 μC/cm(2)), which is strongly attributed to the great displacement of Ti from the centrosymmetric position along the c-axis and the fact that the BEC of Ti (+6.1) is greater than that of Sn (+4.1). Furthermore, the spontaneous polarization of LN-type ZnTiO3 is greater than that of LiNbO3 (62 μC/cm(2), 76 μC/cm(2)), indicating that LN-type ZnTiO3, like LiNbO3, is a candidate ferroelectric material with high performance. The second harmonic generation (SHG) response of LN-type ZnTiO3 is 24 times greater than that of LN-type ZnSnO3. The findings indicate that the intraoctahedral distortion, spontaneous polarization, and the accompanying SHG response are caused by the stabilization of the polar LiNbO3-type structure and reinforced by the second-order Jahn-Teller effect attributable to the orbital interaction between oxygen ions and d(0) ions such as Ti(4+).

  9. World of high pressure. Koatsuryoku no sekai

    Energy Technology Data Exchange (ETDEWEB)

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


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

  10. Carbon nanostructures under high pressure

    CERN Document Server

    Sundqvist, B


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

  11. Determination of six microcystins and nodularin in surface and drinking waters by on-line solid phase extraction-ultra high pressure liquid chromatography tandem mass spectrometry. (United States)

    Beltrán, Eduardo; Ibáñez, María; Sancho, Juan Vicente; Hernández, Félix


    Microcystins and nodularin are cyclic peptides hepatotoxins produced by cyanobacterial genera (blue-green algae). Toxic cyanobacterial blooms are a worldwide problem, as reported in several countries, like China, Australia, or the United States. Therefore, it is necessary to develop sensitive and reliable analytical methodology to determine this type of toxins in water at parts per billion levels, or even lower. In this work, the potential of solid-phase extraction coupled on-line to ultra-high-pressure liquid chromatography/electrospray tandem mass spectrometry (SPE-UHPLC-MS/MS) has been investigated for the efficient quantification and confirmation of microcystins LR, RR, YR, LY, LW, LF and nodularin in surface and drinking water samples, at sub-ppb levels. The method developed involves the injection of only 1 mL of water sample into the on-line SPE-UHPLC-MS/MS system and allows the rapid determination of the compounds selected (8 min of chromatographic run), avoiding laborious sample treatment. The method was validated in surface and drinking water by means of recovery experiments at 0.25 and 1 μg L(-1). Average recoveries (n=5) ranged from 71 to 116%, with relative standard deviations (RSDs) lower than 15%. For microcystins LR, RR, YR and nodularin, a third level was also assayed (0.1 μg L(-1)) obtaining satisfactory data too. Limits of detection between 0.002 and 0.0405 μg L(-1) were estimated (0.0005 μg L(-1) for nodularin). The developed method was applied to the analysis of water samples collected in the province of Castellón (Spain). The acquisition of three MS/MS transitions for each compound allowed the unequivocal confirmation of positive samples, which was supported by the accomplishment of ion intensity ratios and retention time when compared with reference standards. Copyright © 2012 Elsevier B.V. All rights reserved.

  12. High-pressure phase behaviour measurement of (CO{sub 2} + ethylene glycol dimethacrylate) and (CO{sub 2} + di-ethylene glycol dimethacrylate) binary mixture systems

    Energy Technology Data Exchange (ETDEWEB)

    Cho, Dong Woo [School of Chemical and Biological Engineering and Institute of Chemical Processes, Seoul National University, 599, Gwanangno, Gwanak-Gu, Seoul 151-744 (Korea, Republic of); Lee, Ju Ho [Department of Chemical and Biomolecular Engineering, Sogang University, Shisu-dong, Mapo-gu 121-742 (Korea, Republic of); Shin, Jungin [Analytical Technology Group, Advanced R and D Center, LS Cable Ltd., Hogye-dong, Dongan-gu, Anyang-si, Gyeonggi-do 431-080 (Korea, Republic of); Bae, Won [R and D Institute, Miwon Commercial Co. Ltd., 405-3, Mokane-dong, Ansan-si, Gyounggi 425-100 (Korea, Republic of); Kim, Hwayong [School of Chemical and Biological Engineering and Institute of Chemical Processes, Seoul National University, 599, Gwanangno, Gwanak-Gu, Seoul 151-744 (Korea, Republic of); Shin, Moon Sam, E-mail: [Department of Dermatological Health Management, Eulji University, 212 Yangji-dong, Sujeong-gu, Seongnam-si, Gyeonggi-do 461-713 (Korea, Republic of)


    Highlights: > Binary mixtures of CO{sub 2} + EGDMA and CO{sub 2} + DEGDMA have been studied. > Isothermal experimental data were determined from 313.2 to 363.2 K. > A static method with a variable-volume view cell was used. > The experimental data was correlated well using the Peng-PR model. - Abstract: Ethylene glycol dimethacrylate (EGDMA) and di-ethylene glycol dimethacrylate (DEGDMA) are two of the most wildly used di-functional monomers in the polymer industry. The EGDMA and DEGDMA are applied to cross-linking polymerisation for improving the physical and chemical properties of synthesized polymers. However, residual and unreacted EGDMA and DEGDMA applied to the synthesis of dental composite and super-absorption polymer poses a health threat. This problem can be solved by using supercritical CO{sub 2}, which has high diffusivity and causes polymer swelling. To design and operate the supercritical fluid extraction process using scCO{sub 2}, high pressure phase behaviour data are required. The pressure-composition (P-x) isotherms for the (CO{sub 2} + EGDMA) and (CO{sub 2} + DEGDMA) binary mixture systems were measured using the static method with a variable-volume view cell at temperatures ranging from (313.2 to 363.2) K. The experimental data correlation was performed using the Peng-Robinson equation of state (PR-EOS) and the Van der Waals one fluid mixing rule. The critical constants for the PR-EOS were estimated by the Joback method and the Marrero-Gani method. The acentric factor was estimated by the Lee-Kesler method. The Marrero-Gani method showed better correlation results than the Joback method and the EGDMA is more soluble in the supercritical carbon dioxide than the DEGDMA.

  13. Superconductivity under high pressure

    Energy Technology Data Exchange (ETDEWEB)

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


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

  14. High pressure induced superconductivity

    Energy Technology Data Exchange (ETDEWEB)

    Amaya, K.; Shimizu, K


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

  15. Structural phase transitions of (Bi1-xSbx)2(Te1-ySey)3 compounds under high pressure and the influence of the atomic radius on the compression processes of tetradymites. (United States)

    Zhao, Jinggeng; Yu, Zhenhai; Hu, Qingyang; Wang, Yong; Schneeloch, John; Li, Chunyu; Zhong, Ruidan; Wang, Yi; Liu, Zhiguo; Gu, Genda


    Recently, A2B3-type tetradymites have developed into a hot topic in physical and material research fields, where the A and B atoms represent V and VI group elements, respectively. In this study, in situ angle-dispersive X-ray diffraction measurements were performed on Bi2Te2Se, BiSbTeSe2, and Sb2Te2Se tetradymites under high pressure. Bi2Te2Se transforms from a layered rhombohedral structure (phase I) into 7-fold monoclinic (phase II) and body-centered tetragonal (phase IV) structures at about 8.0 and 14.3 GPa, respectively, without an 8-fold monoclinic structure (phase III) similar to that in Bi2Te3. Thus, the compression behavior of Bi2Te2Se is the same as that of Bi2Se3, which could also be obtained from first-principles calculations and in situ high-pressure electrical resistance measurements. Under high pressure, BiSbTeSe2 and Sb2Te2Se undergo similar structural phase transitions to Bi2Te2Se, which indicates that the compression process of tellurides can be modulated by doping Se in Te sites. According to these high-pressure investigations of A2B3-type tetradymites, the decrease of the B-site atomic radius shrinks the stable pressure range of phase III and expands that of phase II, whereas the decrease of the A-site atomic radius induces a different effect, i.e. expanding the stable pressure range of phase III and shrinking that of phase II. The influence of the atomic radius on the compression process of tetradymites is closely related to the chemical composition and the atom arrangement in the quintuple layer.

  16. Origin of the stabilization of the metastable tetragonal high-pressure phase in SrCuO2 thin films grown on SrTiO3 substrates by pulsed laser deposition (United States)

    Mihailescu, C. N.; Pasuk, I.; Straticiuc, M.; Nita, C. R.; Pantelica, D.; Giapintzakis, J.


    In this work we have systematically investigated the evolution of structure and stoichiometry in SrCuO2 films grown on TiO2-terminated SrTiO3 substrates as a function of the substrate temperature. Depending on the growth temperature SrCuO2/SrTiO3 films can exhibit either a pure tetragonal high-pressure phase, or a pure orthorhombic low-pressure phase, or a mixed phase. Our results indicate that at low substrate temperatures the non-equilibrium state of the growth process is responsible for the stabilization of the metastable tetragonal high-pressure structure in SrCuO2 thin films grown on (0 0 1) SrTiO3 substrates, whose lattice matches the metastable structure. In addition, at higher substrate temperatures thermodynamics become dominant over other factors and the SrCuO2 thin films are stabilized in the thermodynamically stable orthorhombic phase.

  17. Experimental Evidence for High-Pressure Phase Separation in the H2O-CO2-CaCl2 System: Implications for Rock Rheology (United States)

    Selverstone, J.; Chernak, L.; Tullis, J.; Cooper, R.


    CMP) documented a large two-fluid field in the H2O-CO2-CaCl2 system at 800°C and 900 MPa. Our study shows that the region of immiscibility extends to higher pressures and temperatures, and can be anticipated in both lower crustal and upper mantle rocks as well as in subducting slabs. Our data also demonstrate that variations in f(O2) may be generated and preserved over short distances, and that strain accommodation mechanisms can co-vary with fluid composition, f(O2) and f(H2O) in COH-salt systems. We thus anticipate that significant localized differences in rock strength will result from metamorphic reactions that move rocks into and out of the two-fluid field at high pressure.

  18. Raman and IR studies of polymorphism in n-hexanol at high pressure and low temperature (United States)

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


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

  19. High-pressure minerals in shocked meteorites (United States)

    Tomioka, Naotaka; Miyahara, Masaaki


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

  20. Supersolid Phase Accompanied by a Quantum Critical Point in the Intermediate Coupling Regime of the Holstein Model (United States)

    Murakami, Yuta; Werner, Philipp; Tsuji, Naoto; Aoki, Hideo


    We reveal that electron-phonon systems described by the Holstein model on a bipartite lattice exhibit, away from half filling, a supersolid (SS) phase characterized by coexisting charge order (CO) and superconductivity (SC), and an accompanying quantum critical point (QCP). The SS phase, demonstrated by the dynamical mean-field theory with a quantum Monte Carlo impurity solver, emerges in the intermediate-coupling regime, where the peak of the Tc dome is located and the metal-insulator crossover occurs. On the other hand, in the weak- and strong-coupling regimes the CO-SC boundary is of first order with no intervening SS phases. The QCP is associated with the continuous transition from SS to SC and characterized by a reentrant behavior of the SS around it. We further show that the SS-SC transition is hallmarked by diverging charge fluctuations and a kink (peak) in the superfluid density.

  1. High pressure direct injection

    Energy Technology Data Exchange (ETDEWEB)

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


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

  2. High pressure layered structure of carbon disulfide


    Naghavi, S. Shahab; Crespo, Yanier; Martonak, Roman; Tosatti, Erio


    Solid CS$_{2}$ is superficially similar to CO$_{2}$, with the same $Cmca$ molecular crystal structure at low pressures, which has suggested similar phases also at high pressures. We carried out an extensive first principles evolutionary search in order to identify the zero temperature lowest enthalpy structures of CS$_{2}$ for increasing pressure up to 200\\,GPa. Surprisingly, the molecular $Cmca$ phase does not evolve into $\\beta$-cristobalite as in CO$_{2}$, but transforms instead into phase...

  3. Urea-temperature phase diagrams capture the thermodynamics of denatured state expansion that accompany protein unfolding (United States)

    Tischer, Alexander; Auton, Matthew


    We have analyzed the thermodynamic properties of the von Willebrand factor (VWF) A3 domain using urea-induced unfolding at variable temperature and thermal unfolding at variable urea concentrations to generate a phase diagram that quantitatively describes the equilibrium between native and denatured states. From this analysis, we were able to determine consistent thermodynamic parameters with various spectroscopic and calorimetric methods that define the urea–temperature parameter plane from cold denaturation to heat denaturation. Urea and thermal denaturation are experimentally reversible and independent of the thermal scan rate indicating that all transitions are at equilibrium and the van't Hoff and calorimetric enthalpies obtained from analysis of individual thermal transitions are equivalent demonstrating two-state character. Global analysis of the urea–temperature phase diagram results in a significantly higher enthalpy of unfolding than obtained from analysis of individual thermal transitions and significant cross correlations describing the urea dependence of and that define a complex temperature dependence of the m-value. Circular dichroism (CD) spectroscopy illustrates a large increase in secondary structure content of the urea-denatured state as temperature increases and a loss of secondary structure in the thermally denatured state upon addition of urea. These structural changes in the denatured ensemble make up ∼40% of the total ellipticity change indicating a highly compact thermally denatured state. The difference between the thermodynamic parameters obtained from phase diagram analysis and those obtained from analysis of individual thermal transitions illustrates that phase diagrams capture both contributions to unfolding and denatured state expansion and by comparison are able to decipher these contributions. PMID:23813497

  4. Apparatus for the investigation of high-temperature, high-pressure gas-phase heterogeneous catalytic and photo-catalytic materials (United States)

    Alvino, Jason F.; Bennett, Trystan; Kler, Rantej; Hudson, Rohan J.; Aupoil, Julien; Nann, Thomas; Golovko, Vladimir B.; Andersson, Gunther G.; Metha, Gregory F.


    A high-temperature, high-pressure, pulsed-gas sampling and detection system has been developed for testing new catalytic and photocatalytic materials for the production of solar fuels. The reactor is fitted with a sapphire window to allow the irradiation of photocatalytic samples from a lamp or solar simulator light source. The reactor has a volume of only 3.80 ml allowing for the investigation of very small quantities of a catalytic material, down to 1 mg. The stainless steel construction allows the cell to be heated to 350 °C and can withstand pressures up to 27 bar, limited only by the sapphire window. High-pressure sampling is made possible by a computer controlled pulsed valve that delivers precise gas flow, enabling catalytic reactions to be monitored across a wide range of pressures. A residual gas analyser mass spectrometer forms a part of the detection system, which is able to provide a rapid, real-time analysis of the gas composition within the photocatalytic reaction chamber. This apparatus is ideal for investigating a number of industrially relevant reactions including photocatalytic water splitting and CO2 reduction. Initial catalytic results using Pt-doped and Ru nanoparticle-doped TiO2 as benchmark experiments are presented.

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

    Energy Technology Data Exchange (ETDEWEB)

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


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

  6. Apparatus for the investigation of high-temperature, high-pressure gas-phase heterogeneous catalytic and photo-catalytic materials. (United States)

    Alvino, Jason F; Bennett, Trystan; Kler, Rantej; Hudson, Rohan J; Aupoil, Julien; Nann, Thomas; Golovko, Vladimir B; Andersson, Gunther G; Metha, Gregory F


    A high-temperature, high-pressure, pulsed-gas sampling and detection system has been developed for testing new catalytic and photocatalytic materials for the production of solar fuels. The reactor is fitted with a sapphire window to allow the irradiation of photocatalytic samples from a lamp or solar simulator light source. The reactor has a volume of only 3.80 ml allowing for the investigation of very small quantities of a catalytic material, down to 1 mg. The stainless steel construction allows the cell to be heated to 350 °C and can withstand pressures up to 27 bar, limited only by the sapphire window. High-pressure sampling is made possible by a computer controlled pulsed valve that delivers precise gas flow, enabling catalytic reactions to be monitored across a wide range of pressures. A residual gas analyser mass spectrometer forms a part of the detection system, which is able to provide a rapid, real-time analysis of the gas composition within the photocatalytic reaction chamber. This apparatus is ideal for investigating a number of industrially relevant reactions including photocatalytic water splitting and CO2 reduction. Initial catalytic results using Pt-doped and Ru nanoparticle-doped TiO2 as benchmark experiments are presented.

  7. High pressure structural changes in aluminium triiodide: A first principles study (United States)

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


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

  8. High-pressure phase behaviour of the binary system {l_brace}CO{sub 2} + cis-decalin{r_brace} from (292.75 to 373.75) K

    Energy Technology Data Exchange (ETDEWEB)

    Vitu, Stephane [Laboratoire de Thermodynamique des Milieux Polyphases, Nancy-Universite, INPL-ENSIC, 1 rue Grandville, B.P. 20451, 54001 Nancy (France); Jaubert, Jean-Noel [Laboratoire de Thermodynamique des Milieux Polyphases, Nancy-Universite, INPL-ENSIC, 1 rue Grandville, B.P. 20451, 54001 Nancy (France)], E-mail:; Pauly, Jerome; Daridon, Jean-Luc [Laboratoire des Fluides Complexes, UMR CNRS 5150, Universite de Pau et des Pays de l' Adour, B.P. 1155, 64013 Pau Cedex (France)


    The phase behaviour of the {l_brace}CO{sub 2} (1) + cis-decalin (2){r_brace} binary system has been experimentally studied at temperatures ranging from (292.75 to 373.75) K. Saturation pressures, ranging from (15.9 to 490.5) bar, were obtained using a variable volume high-pressure cell by visual observation of phase transitions at constant overall composition. For this system, no literature data are available and the results obtained in this study reveal the occurrence of vapor-liquid, liquid-liquid, and vapor-liquid-liquid phase transitions in the investigated temperature range. A total of 133 experimental points are reported including bubble points, dew points, liquid-liquid phase equilibria, and coordinates of the three-phase line. The experimental data can be reasonably predicted by the PPR78 model in which the temperature-dependent binary interaction parameter is calculated by a group contribution method.

  9. Activation of alpha chymotrypsin by three phase partitioning is accompanied by aggregation.

    Directory of Open Access Journals (Sweden)

    Gulam Mohmad Rather

    Full Text Available Precipitation of alpha chymotrypsin in the simultaneous presence of ammonium sulphate and t-butanol (three phase partitioning resulted in preparations which showed self aggregation of the enzyme molecules. Precipitation with increasing amounts of ammonium sulphate led to increasing size of aggregates. While light scattering estimated the hydrodynamic diameter of these aggregates in the range of 242-1124 nm; Nanoparticle tracking analysis (NTA gave the value as 130-462 nm. Scanning electron microscopy and gel filtration on Sephadex G-200 showed extensive aggregation in these preparations. Transmission electron microscopy showed that the aggregates had irregular shapes. All the aggregates had about 3× higher catalytic activity than the native enzyme. These aggregates did not differ in λ(max of fluorescence emission which was around 340 nm. However, all the aggregates showed higher fluorescence emission intensity. Far-UV and near-UV circular dichroism also showed no significant structural changes as compared to the native molecule. Interestingly, HPLC gel filtration (on a hydroxylated silica column gave 14 nm as the diameter for all preparations. Light scattering of preparations in the presence of 10% ethylene glycol also dissociated the aggregates to monomers of 14 nm. Both these results indicated that hydrophobic interactions were the driving force behind this aggregation. These results indicate: (1 Even without any major structural change, three phase partitioning led to protein molecules becoming highly prone to aggregation. (2 Different methods gave widely different estimates of sizes of aggregates. It was however possible to reconcile the data obtained with various approaches. (3 The nature of the gel filtration column is crucial and use of this technique for refolding and studying aggregation needs a rethink.

  10. High Pressure Research on Materials

    Indian Academy of Sciences (India)

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

  11. Observation of a re-entrant phase transition in the molecular complex tris(μ2-3,5-diisopropyl-1,2,4-triazolato-κ2N1:N2trigold(I under high pressure

    Directory of Open Access Journals (Sweden)

    Christopher H. Woodall


    Full Text Available We report a molecular crystal that exhibits four successive phase transitions under hydrostatic pressure, driven by aurophilic interactions, with the ground-state structure re-emerging at high pressure. The effect of pressure on two polytypes of tris(μ2-3,5-diisopropyl-1,2,4-triazolato-κ2N1:N2trigold(I (denoted Form-I and Form-II has been analysed using luminescence spectroscopy, single-crystal X-ray diffraction and first-principles computation. A unique phase behaviour was observed in Form-I, with a complex sequence of phase transitions between 1 and 3.5 GPa. The ambient C2/c mother cell transforms to a P21/n phase above 1 GPa, followed by a P21/a phase above 2 GPa and a large-volume C2/c supercell at 2.70 GPa, with the previously observed P21/n phase then reappearing at higher pressure. The observation of crystallographically identical low- and high-pressure P21/n phases makes this a rare example of a re-entrant phase transformation. The phase behaviour has been characterized using detailed crystallographic theory and modelling, and rationalized in terms of molecular structural distortions. The dramatic changes in conformation are correlated with shifts of the luminescence maxima, from a band maximum at 14040 cm−1 at 2.40 GPa, decreasing steeply to 13550 cm−1 at 3 GPa. A similar study of Form-II displays more conventional crystallographic behaviour, indicating that the complex behaviour observed in Form-I is likely to be a direct consequence of the differences in crystal packing between the two polytypes.

  12. High-pressure phases in a shock-induced melt vein of the Tenham L6 chondrite: Constraints on shock pressure and duration (United States)

    Xie, Zhidong; Sharp, Thomas G.; DeCarli, Paul S.


    The microtexture and mineralogy of a 580-μm-wide melt vein in the Tenham L6 chondrite were investigated using field-emission scanning electron microscopy and transmission electron microscopy to better understand the shock conditions. The melt vein consists of a matrix of silicate plus metal-sulfide grains that crystallized from immiscible melts, and sub-rounded fragments of the host chondrite that have been entrained in the melt and transformed to polycrystalline high-pressure silicates. The melt-vein matrix contains two distinct textures and mineral assemblages corresponding to the vein edge and interior. The 30-μm-wide vein edge consists of vitrified silicate perovskite + ringwoodite + akimotoite + majorite with minor metal-sulfide. The 520-μm-wide vein interior consists of majorite + magnesiowüstite with irregular metal-sulfide blebs. Although these mineral assemblages are distinctly different, the pressure stabilities of both assemblages are consistent with crystallization from similar pressure conditions: the melt-vein edge crystallized at about 23-25 GPa and the vein interior crystallized at about 21-25 GPa. This relatively narrow pressure range suggests that the melt vein either crystallized at a constant equilibrium shock pressure of ˜25 GPa or during a relatively slow pressure release. Using a finite element heat transfer program to model the thermal history of this melt vein during shock, we estimate that the time required to quench this 580-μm-wide vein was ˜40 ms. Because the entire vein contains high-pressure minerals that crystallized from the melt, the shock-pressure duration was at least 40 ms. Using a synthetic Hugoniot for Tenham and assuming that the sample experienced a peak-shock pressure of 25 GPa near the impact site, we estimate that the Tenham parent body experienced an impact with collision velocity ˜2 km/s. Based on a one-dimensional planar impact model, we estimate that the projectile size was >150 m in thickness.

  13. Origin of the stabilization of the metastable tetragonal high-pressure phase in SrCuO{sub 2} thin films grown on SrTiO{sub 3} substrates by pulsed laser deposition

    Energy Technology Data Exchange (ETDEWEB)

    Mihailescu, C.N. [Nanotechnology Research Center and Department of Mechanical and Manufacturing Engineering, University of Cyprus, 75 Kallipoleos Av., PO Box 20537, 1678 Nicosia (Cyprus); National Institute for Laser, Plasma and Radiation Physics, 409 Atomistilor St., PO Box MG-36, 077125 Magurele (Romania); Pasuk, I. [National Institute of Materials Physics, RO-077125 Magurele (Romania); Straticiuc, M.; Nita, C.R.; Pantelica, D. [Horia Hulubei National Institute for Physics and Nuclear Engineering (IFIN-HH), 30 Reactorului Street, P.O. Box MG-6, RO-077125 Magurele (Romania); Giapintzakis, J., E-mail: [Nanotechnology Research Center and Department of Mechanical and Manufacturing Engineering, University of Cyprus, 75 Kallipoleos Av., PO Box 20537, 1678 Nicosia (Cyprus)


    Highlights: • By tuning the substrate temperature one can obtain SrCuO{sub 2} films that exhibit both stable (orthorhombic) and metastable (tetragonal) phases in pure form as well as films composed of a mixture of tetragonal and orthorhombic phases. • SrCuO{sub 2} films exhibit a stoichiometry variation across the temperature range of the structural transformation. • The non-equilibrium nature of the growth process is the origin of the stabilization of the tetragonal (hp I) phase in SrCuO{sub 2} thin films grown on SrTiO{sub 3} substrates at low substrate temperatures. - Abstract: In this work we have systematically investigated the evolution of structure and stoichiometry in SrCuO{sub 2} films grown on TiO{sub 2}-terminated SrTiO{sub 3} substrates as a function of the substrate temperature. Depending on the growth temperature SrCuO{sub 2}/SrTiO{sub 3} films can exhibit either a pure tetragonal high-pressure phase, or a pure orthorhombic low-pressure phase, or a mixed phase. Our results indicate that at low substrate temperatures the non-equilibrium state of the growth process is responsible for the stabilization of the metastable tetragonal high-pressure structure in SrCuO{sub 2} thin films grown on ( 0 0 1) SrTiO{sub 3} substrates, whose lattice matches the metastable structure. In addition, at higher substrate temperatures thermodynamics become dominant over other factors and the SrCuO{sub 2} thin films are stabilized in the thermodynamically stable orthorhombic phase.

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

    Energy Technology Data Exchange (ETDEWEB)

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


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

  15. Crystal lattice and phase transitions in Na4TiP2O9 (NTP) and Na4.5FeP2O8(O,F) (NFP) superionic conductors as a function of high pressures and temperatures. (United States)

    Maximov; Sirota; Werner; Schulz


    The lattice dynamics of Na(4)TiP(2)O(9) (tetrasodium titanium diphosphorus nonaoxide, NTP) and Na(4.5)FeP(2)O(8)(O,F) (nonasodium diiron tetraphosphorus difluoride octadecaoxide, NFP) crystals, which are superionic conductors with Na(+)-ion conductivity, were studied under high pressures. Lattice constants as a function of hydrostatic pressure were measured on a four-circle diffractometer using a high-pressure cell with diamond anvils. At 1.78 +/- 0.15 GPa NTP undergoes a reversible phase transition from the modulated monoclinic (pseudo-orthorhombic) modification which is stable under atmospheric conditions. A similar phase transition in NTP is observed at 523 K. For NFP, it may be assumed that at least three phase transitions occur when the pressure increases from atmospheric to 12 GPa, at 1.39 +/- 0.08, 4.52 +/- 0.32, and 6.02 +/- 0.02 GPa, as concluded from the change in the unit-cell parameters and in the color of the crystals: the color changes from ginger (dark orange) to pink at ~1.5-2.0 GPa pressure and to violet at ~6.0 GPa.

  16. Mechanochromism of piroxicam accompanied by intermolecular proton transfer probed by spectroscopic methods and solid-phase changes. (United States)

    Sheth, Agam R; Lubach, Joseph W; Munson, Eric J; Muller, Francis X; Grant, David J W


    Structural and solid-state changes of piroxicam in its crystalline form under mechanical stress were investigated using cryogenic grinding, powder X-ray diffractometry, diffuse-reflectance solid-state ultraviolet-visible spectroscopy, variable-temperature solid-state (13)C nuclear magnetic resonance spectroscopy, and solid-state diffuse-reflectance infrared Fourier transform spectroscopy. Crystalline piroxicam anhydrate exists as colorless single crystals irrespective of the polymorphic form and contains neutral piroxicam molecules. Under mechanical stress, these crystals become yellow amorphous piroxicam, which has a strong propensity to recrystallize to a colorless crystalline phase. The yellow color of amorphous piroxicam is attributed to charged piroxicam molecules. Variable-temperature solid-state (13)C NMR spectroscopy indicates that most of the amorphous piroxicam consists of neutral piroxicam molecules; the charged species comprise only about 8% of the amorphous phase. This ability to quantify the fractions of charged and neutral molecules of piroxicam in the amorphous phase highlights the unique capability of solid-state NMR to quantify mixtures in the absence of standards. Other compounds of piroxicam, which are yellow, are known to contain zwitterionic piroxicam molecules. The present work describes a system in which proton transfer accompanies both solid-state disorder and a change in color induced by mechanical stress, a phenomenon which may be termed mechanochromism of piroxicam.

  17. The pseudo-binary mercury chalcogenide alloy HgSe sub 0 sub . sub 7 S sub 0 sub . sub 3 at high pressure: a mechanism for the zinc blende to cinnabar reconstructive phase transition

    CERN Document Server

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


    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 x-ray and neutron powder diffraction at pressures 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. A phenomenological model of this reconstructive phase transition based on a displacement mechanism is proposed. Analysis of the geometrical relationship between the zinc blende and the cinnabar phases has shown that the possible order parameter for the zinc blende-cinnabar structural transformation is the spontaneous strain e sub 4. This assignment agrees with the previously observed high pressure behaviour of the elastic constants of some mercury chalcogenides.

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

    Energy Technology Data Exchange (ETDEWEB)

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


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

  19. High pressure study of high-temperature superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Souliou, Sofia-Michaela


    Imm2). The structural transition is clearly reflected in the high pressure Raman data through the appearance of several new modes, allowing us to map in detail the (P,T) phase diagram and determine the transition line between the two phases. In the new phase, the renormalization of the buckling mode is completely suppressed, while no anomalies are observed in any of the other Raman active phonons. According to ab initio calculations, the coupling of the buckling mode to the electronic system is not significantly affected by the structural phase transition. The absence of phonon renormalizations in the presence of sizable electron-phonon coupling, indicate that, in contrast to earlier transport studies, YBa{sub 2}Cu{sub 4}O{sub 8} is not superconducting anymore under hydrostatic pressures higher than 10 GPa. Finally we proceeded with the investigation of the high pressure structural and vibrational properties of SmFeAsO, a member of the ''1111'' family (space group P4/nmm) of the Fe-based superconductors, in which superconductivity is commonly induced either by substituting F/H for O or by applying high pressures on the parent magnetic compound. The magnetic transition of the undoped compound is accompanied with a tetragonal-to-orthorhombic structural distortion, both of which are commonly suppressed upon the emergence of superconductivity. In the SmFeAsO{sub x}F{sub 1-x} system while the magnetic transition is totally suppressed already at low doping levels, structural studies have reported either the gradual suppression of the orthorhombic distortion or its retention over a wide regime of the superconducting phase. We addressed this controversy using high pressure as an alternative tuning parameter to suppress the magneto-structural transition and induce superconductivity in the parent compound. Our high pressure, low temperature X-ray diffraction measurements on single crystals of SmFeAsO have revealed that the tetragonal

  20. Advanced Diagnostics for High Pressure Spray Combustion.

    Energy Technology Data Exchange (ETDEWEB)

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


    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.

  1. Ergot alkaloids in rye flour determined by solid-phase cation-exchange and high-pressure liquid chromatography with fluorescence detection

    DEFF Research Database (Denmark)

    Storm, Ida Marie Lindhardt Drejer; Rasmussen, Peter Have; Strobel, B.W.


    Ergot alkaloids are mycotoxins that are undesirable contaminants of cereal products, particularly rye. A method was developed employing clean-up by cation-exchange solid-phase extraction, separation by high-performance liquid chromatography under alkaline conditions and fluorescence detection...

  2. High Pressure Multicomponent Adsorption in Porous Media

    DEFF Research Database (Denmark)

    Shapiro, Alexander; Stenby, Erling Halfdan


    We analyse adsorption of a multicomponent mixture at high pressure on the basis of the potential theory of adsorption. The adsorbate is considered as a segregated mixture in the external field produced by a solid adsorbent. we derive an analytical equation for the thickness of a multicomponent film...... close to a dew point. This equation (asymptotic adsorption equation, AAE) is a first order approximation with regard to the distance from a phase envelope....

  3. Modification of Sako-Wu-Prausnitz equation of state for fluid phase equilibria in polyethylene-ethylene systems at high pressures

    Directory of Open Access Journals (Sweden)

    F. Gharagheizi


    Full Text Available In order to model phase equilibria at all pressures, it is necessary to have an equation of state. We have chosen the Sako-Wu-Prausnitz cubic equation of state, which had shown some promising results. However, in order to satisfy our demands, we had to modify it slightly and fit new pure component parameters. New pure component parameters have been determined for ethylene and the n-alkane series, using vapor pressure data, saturated liquid volume and one-phase PVT-data. For higher n-alkanes, where vapor pressure data are poor or not available, determination of the pure component parameters was made in part by extrapolation and in part by fitting to one-phase PVT-data. Using one-fluid van der Waals mixing rules, with one adjustable interaction parameter, good correlation of binary hydrocarbon system was obtained, except for the critical region. The extension of the equation of state to polyethylene systems is covered in this work. Using the determined parameters, flash and cloud point calculations were performed, and treating the polymer as polydisperse. The results fit data well.

  4. Electrokinetic high pressure hydraulic system (United States)

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


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

  5. Electrokinetic high pressure hydraulic system (United States)

    Paul, Phillip H.; Rakestraw, David J.


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

  6. In situ observation of high-pressure phase transition in silicon carbide under shock loading using ultrafast x-ray diffraction (United States)

    Tracy, Sally June


    SiC is an important high-strength ceramic material used for a range of technological applications, including lightweight impact shielding and abrasives. SiC is also relevant to geology and planetary science. It may be a host of reduced carbon in the Earth's interior and also occurs in meteorites and impact sites. SiC has also been put forward as a possible major constituent in the proposed class of extra-solar planets known as carbon planets. Previous studies have used wave profile measurements to identify a phase transition under shock loading near 1 Mbar, but lattice-level structural information was not obtained. Here we present the behavior of silicon carbide under shock loading as investigated through a series of time-resolved pump-probe x-ray diffraction measurements up to 200 GPa. Our experiments were conducted at the Materials in Extreme Conditions beamline of the Linac Coherent Light Source. In situ x-ray diffraction data on shock-compressed SiC was collected using a free electron laser source combined with a pulsed high-energy laser. These measurements allow for the determination of time-dependent atomic arrangements, demonstrating that the wurtzite phase of SiC transforms directly to the B1 structure. Our measurements also reveal details of the material texture evolution under shock loading and release.

  7. Liquid-vapor equilibrium of the systems butylmethylimidazolium nitrate-CO2 and hydroxypropylmethylimidazolium nitrate-CO2 at high pressure: influence of water on the phase behavior. (United States)

    Bermejo, M Dolores; Montero, Marta; Saez, Elisa; Florusse, Louw J; Kotlewska, Aleksandra J; Cocero, M José; van Rantwijk, Fred; Peters, Cor J


    Ionic liquids (IL) are receiving increasing attention due to their potential as "green" solvents, especially when used in combination with SC-CO2. In this work liquid-vapor equilibria of binary mixtures of CO2 with two imidazolium-based ionic liquids (IL) with a nitrate anion have been experimentally determined: butylmethylimidazolium nitrate (BMImNO3) and hydroxypropylmethylimidazolium nitrate (HOPMImNO3), using a Cailletet apparatus that operates according to the synthetic method. CO2 concentrations from 5 up to 30 mol % were investigated. It was found that CO2 is substantially less soluble in HOPMImNO3 than in BMImNO3. Since these ILs are very hygroscopic, water easily can be a major contaminant, causing changes in the phase behavior. In case these Ils are to be used in practical applications, for instance, together with CO2 as a medium in supercritical enzymatic reactions, it is very important to have quantitative information on how the water content will affect the phase behavior. This work presents the first systematic study on the influence of water on the solubility of carbon dioxide in hygroscopic ILs. It was observed that the presence of water reduces the absolute solubility of CO2. However, at fixed ratios of CO2/IL, the bubble point pressure remains almost unchanged with increasing water content. In order to explain the experimental results, the densities of aqueous mixtures of both ILs were determined experimentally and the excess molar volumes calculated.

  8. The solubility of carbon monoxide in silicate melts at high pressures and its effect on silicate phase relations. [in terrestrial and other planetary interiors (United States)

    Eggler, D. H.; Mysen, B. O.; Hoering, T. C.; Holloway, J. R.


    Autoradiographic analysis and gas chromatography were used to measure the solubility in silicate melts of CO-CO2 vapors (30 to 40% CO by thermodynamic calculation) in equilibrium with graphite at temperatures up to 1700 deg C and pressures to 30 kbar. At near-liquidus temperatures CO-CO2 vapors were found to be slightly more soluble than CO2 alone. As a result of the apparently negative temperature dependence of CO solubility, the solubility of CO-CO2 at superliquidus temperatures is less than that of CO2. Melting points of two silicates were depressed more by CO than by CO2. Phase boundary orientations suggest that CO/CO + CO2 is greater in the liquid than in the vapor. The effect of the presence of CO on periodotite phase relations was investigated, and it was found that melts containing both CO and CO2 are nearly as polymerized as those containing only CO2. These results suggest that crystallization processes in planetary interiors can be expected to be about the same, whether the melts contain CO2 alone or CO2 and CO.

  9. Accelerated materials design approaches based on structural classification: application to low enthalpy high pressure phases of SH3 and SeH3 (United States)

    Flores-Livas, José A.; Sanna, Antonio; Goedecker, Stefan


    We propose a methodology that efficiently asseses major characteristics in the energy landscape for a given space of configurations (crystal structures) under pressure. In this work we study SH3 and SeH3 , both of fundamental interest due to their superconducting properties. Starting from the crystal fingerprint, which defines configurational distances between crystalline structures, we introduce an optimal one dimensional metric space that is used to both classify and characterize the structures. Furthermore, this is correlated to the electronic structure. Our analysis highlights the uniqueness of the Im - 3m phase of H3S and H33Se for superconductivity. This approach is an useful tool for future material design applications.

  10. High pressure neon arc lamp (United States)

    Sze, Robert C.; Bigio, Irving J.


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

  11. High Pressure Research on Materials

    Indian Academy of Sciences (India)

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

  12. Magnetic and Superconducting Materials at High Pressures

    Energy Technology Data Exchange (ETDEWEB)

    Struzhkin, Viktor V. [Carnegie Inst. of Washington, Washington, DC (United States)


    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

  13. Three-Dimensional Unsteady Simulation of a Modern High Pressure Turbine Stage Using Phase Lag Periodicity: Analysis of Flow and Heat Transfer (United States)

    Shyam, Vikram; Ameri, Ali; Luk, Daniel F.; Chen, Jen-Ping


    Unsteady three-dimensional RANS simulations have been performed on a highly loaded transonic turbine stage and results are compared to steady calculations as well as experiment. A low Reynolds number k- turbulence model is employed to provide closure for the RANS system. A phase-lag boundary condition is used in the periodic direction. This allows the unsteady simulation to be performed by using only one blade from each of the two rows. The objective of this paper is to study the effect of unsteadiness on rotor heat transfer and to glean any insight into unsteady flow physics. The role of the stator wake passing on the pressure distribution at the leading edge is also studied. The simulated heat transfer and pressure results agreed favorably with experiment. The time-averaged heat transfer predicted by the unsteady simulation is higher than the heat transfer predicted by the steady simulation everywhere except at the leading edge. The shock structure formed due to stator-rotor interaction was analyzed. Heat transfer and pressure at the hub and casing were also studied. Thermal segregation was observed that leads to the heat transfer patterns predicted by steady and unsteady simulations to be different.

  14. Inelastic neutron scattering to very high pressures (United States)

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


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

  15. Melting point of polymers under high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Seeger, Andreas [Technische Universitaet Darmstadt, Ernst Berl-Institut fuer Technische und Makromolekulare Chemie, Petersenstr. 20, D-64287 Darmstadt (Germany)], E-mail:; Freitag, Detlef [Friedrich-Alexander-Universitaet, Erlangen-Nuernberg (Germany); Freidel, Frank [Technische Universitaet Darmstadt, Ernst Berl-Institut fuer Technische und Makromolekulare Chemie, Petersenstr. 20, D-64287 Darmstadt (Germany); Luft, Gerhard [Technische Universitaet Darmstadt, Ernst Berl-Institut fuer Technische und Makromolekulare Chemie, Petersenstr. 20, D-64287 Darmstadt (Germany)], E-mail:


    The influence of highly compressed gases on the melting of polyethylene was investigated for nitrogen, helium and ethylene. The impact of the particle size of the polymer and the heating rate on the melting point were also analysed. The melting points were determined with a high pressure differential thermal analysis (HPDTA) apparatus. These measurements were compared with independent measurements, done by high pressure differential scanning calorimetry (HPDSC), without gas. From this experimental data it was possible to calculate the concentration of the gas in the molten polymer phase based on equilibrium thermodynamics. For high density polyethylene (HDPE), a concentration of nitrogen at the polymer melting point of 10.4-35.7 mL(SATP) g(polymer){sup -1}, in the pressure interval of 65-315 MPa, was calculated.

  16. Unusual electronic and mechanical properties of sodium chlorides at high pressures

    Energy Technology Data Exchange (ETDEWEB)

    Bu, Hongxia, E-mail: [College of Physics and Electronic Engineering, Qilu Normal University, Jinan, Shandong 250200 (China); Zhao, Mingwen, E-mail: [School of Physics & State Key Laboratory of Crystal Materials, Shandong University, Jinan, Shandong 250100 (China); Zhou, Hongcai [School of Physics & State Key Laboratory of Crystal Materials, Shandong University, Jinan, Shandong 250100 (China); Du, Yanling [College of Science and Technology, Shandong University of Traditional Chinese Medicine, Jinan, Shandong 250355 (China)


    Using first-principles calculations, we performed systematic investigation on the electronic and mechanical properties of sodium chlorides with different stoichiometries at high pressures. It was found that most of the phases are metallic except the Pnma-NaCl{sub 3} with a gap of 2.155 eV. The extended Cl (or Na) sublattice at Cl-rich (or Na-rich) conditions contributes to the metallization. Accompanied by metallization, the Na{sub m}Cl{sub n} crystals exhibit good ductility in contrast to the brittle NaCl crystal, due to the changes of binding features induced by high pressure. These results are expected to be useful for understanding the exotic properties of NaCl at high pressures. - Highlights: • We performed systematic investigation on the electronic and mechanical properties of Na{sub m}Cl{sub n}. • The extended Cl (or Na) sublattice at Cl-rich (or Na-rich) conditions contributes to the metallization at high pressures. • The Na{sub m}Cl{sub n} crystals exhibit good ductility in contrast to the brittle NaCl crystal. • The P4/mmm-Na{sub 3}Cl possesses the best ductility and the semiconducting Pnma-NaCl{sub 3} has the largest hardness.

  17. High Pressure Hydrogen from First Principles (United States)

    Morales, M. A.


    Typical approximations employed in first-principles simulations of high-pressure hydrogen involve the neglect of nuclear quantum effects (NQE) and the approximate treatment of electronic exchange and correlation, typically through a density functional theory (DFT) formulation. In this talk I'll present a detailed analysis of the influence of these approximations on the phase diagram of high-pressure hydrogen, with the goal of identifying the predictive capabilities of current methods and, at the same time, making accurate predictions in this important regime. We use a path integral formulation combined with density functional theory, which allows us to incorporate NQEs in a direct and controllable way. In addition, we use state-of-the-art quantum Monte Carlo calculations to benchmark the accuracy of more approximate mean-field electronic structure calculations based on DFT, and we use GW and hybrid DFT to calculate the optical properties of the solid and liquid phases near metallization. We present accurate predictions of the metal-insulator transition on the solid, including structural and optical properties of the molecular phase. This work was supported by the U.S. Department of Energy at the Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344 and by LDRD Grant No. 13-LW-004.

  18. Public debate on metallic hydrogen to boost high pressure research

    Directory of Open Access Journals (Sweden)

    Hua Y. Geng


    Full Text Available Instead of praises from colleagues, the claim of observation of metallic hydrogen at 495 GPa by Dias and Silvera met much skepticism, and grew into a public debate at the International Conference on High-Pressure Science and Technology, AIRAPT26. We briefly review this debate, and extend the topic to show that this disputation could be an opportunity to benefit the whole high pressure community. Keywords: High pressure, Metallic hydrogen, Quantum solid and liquid, Phase stability, Superconductivity, PACS codes: 61.50.Ks, 67.63.-r, 67.80.-s, 71.30.+h, 74.62.Fj

  19. Is sodium a superconductor under high pressure? (United States)

    Tutchton, Roxanne; Chen, Xiaojia; Wu, Zhigang


    Superconductivity has been predicted or measured for most alkali metals under high pressure, but the computed critical temperature (T c ) of sodium (Na) at the face-centered cubic (fcc) phase is vanishingly low. Here we report a thorough, first-principles investigation of superconductivity in Na under pressures up to 260 GPa, where the metal-to-insulator transition occurs. Linear-response calculations and density functional perturbation theory were employed to evaluate phonon distributions and the electron-phonon coupling for bcc, fcc, cI16, and tI19 Na. Our results indicate that the maximum electron-phonon coupling parameter, λ, is 0.5 for the cI16 phase, corresponding to a theoretical peak in the critical temperature at T c ≈1.2 K. When pressure decreases or increases from 130 GPa, T c drops quickly. This is mainly due to the lack of p-d hybridization in Na even at 260 GPa. Since current methods based on the Eliashberg and McMillian formalisms tend to overestimate the T c (especially the peak values) of alkali metals, we conclude that under high pressure-before the metal-to-insulator transition at 260 GPa-superconductivity in Na is very weak, if it is measurable at all.

  20. High pressure chemistry of substituted acetylenes

    Energy Technology Data Exchange (ETDEWEB)

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


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

  1. Magnetic phase separation and strong enhancement of the Néel temperature at high pressures in a new multiferroic Ba3TaFe3Si2O14 (United States)

    Lyubutin, I. S.; Starchikov, S. S.; Gavriliuk, A. G.; Troyan, I. A.; Nikiforova, Yu. A.; Ivanova, A. G.; Chumakov, A. I.; Rüffer, R.


    The high-pressure properties of a new multiferroic of the langasite family Ba3TaFe3Si2O14 were investigated in diamond-anvil cells (DAC) in the temperature range of 4.2-295 K by a new method of synchrotron Mössbauer spectroscopy. Strong enhancement of the Néel temperature T N was observed at pressures above 20 GPa associated with the structural transformation. The highest value of T N is about 130 K which is almost five times larger than the value at ambient pressure (about 27 K). It was suggested that the high value of T N appears due to redistribution of Fe ions over 3 f and 2 d tetrahedral sites of the langasite structure. In this case, the short Fe-O distances and favorable Fe-O-Fe bond angles create conditions for strong superexchange interactions between iron ions, and effective two-dimensional (2D) magnetic ordering appears in the ( ab) plane. The separation of the sample into two magnetic phases with different T N values of about 50 and 130 K was revealed, which can be explained by the strong 2D magnetic ordering in the ab plane and 3D ordering involving inter-plane interaction.

  2. Phase equilibrium at high pressure of heavy oil fraction in propane and n-butane; Equilibrio de fases em alta pressao de fracoes pesadas do petroleo em propano e n-butano

    Energy Technology Data Exchange (ETDEWEB)

    Canziani, Daniel B.; Ndiaye, Papa M. [Universidade Federal do Parana (UFPR), Curitiba, PR (Brazil); Oliveira, Jose V. de; Corazza, Marcos L. [Universidade Regional Integrada, Erechim, RS (Brazil)


    One of the biggest challenge of the oil industry is the preparation and adequacy of existing refineries for processing of heavy oil in large quantities. Specifically aims of this work is to measure phase equilibria date at high-pressure with systems involving GOP (Heavy Gasoil), RAT (Atmospheric Residue) and Marlim (crude oil) in n-butane and propane, using the static-synthetic method. The influence of the addition of methanol on the transition pressure is also investigated. With regard to tests made with the use of methanol as a co-solvent, those with higher levels of methanol (5% in mass fraction) had presented transition pressures a little higher than systems with 1% of methanol and systems without methanol. The systems without methanol showed similar pressures. All systems are PT diagrams of the type Lower Critical Solution Temperature (LCST). Among the solvents used the n-butane shown to be the most soluble for all solutes, in particular for the RAT. With the n-butane were observed only liquid-vapour equilibria, and with propane the liquid-liquid, liquid-liquid-vapour and liquid-liquid-fluid equilibria could be observed. The system Propane-5%Methanol-GOP presented liquid-liquid-vapour transitions, indicates be a diagram of the type V (according to the classification of van Konynenburg and Scott). (author)

  3. High pressure processing of meat

    DEFF Research Database (Denmark)

    Grossi, Alberto; Christensen, Mette; Ertbjerg, Per

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

  4. Rapid and automated analysis of aflatoxin M1 in milk and dairy products by online solid phase extraction coupled to ultra-high-pressure-liquid-chromatography tandem mass spectrometry. (United States)

    Campone, Luca; Piccinelli, Anna Lisa; Celano, Rita; Pagano, Imma; Russo, Mariateresa; Rastrelli, Luca


    This study reports a fast and automated analytical procedure for the analysis of aflatoxin M1 (AFM1) in milk and dairy products. The method is based on the simultaneous protein precipitation and AFM1 extraction, by salt-induced liquid-liquid extraction (SI-LLE), followed by an online solid-phase extraction (online SPE) coupled to ultra-high-pressure-liquid chromatography-tandem mass spectrometry (UHPLC-MS/MS) analysis to the automatic pre-concentration, clean up and sensitive and selective determination of AFM1. The main parameters affecting the extraction efficiency and accuracy of the analytical method were studied in detail. In the optimal conditions, acetonitrile and NaCl were used as extraction/denaturant solvent and salting-out agent in SI-LLE, respectively. After centrifugation, the organic phase (acetonitrile) was diluted with water (1:9 v/v) and purified (1mL) by online C18 cartridge coupled with an UHPLC column. Finally, selected reaction monitoring (SRM) acquisition mode was applied to the detection of AFM1. Validation studies were carried out on different dairy products (whole and skimmed cow milk, yogurt, goat milk, and powder infant formula), providing method quantification limits about 25 times lower than AFM1 maximum levels permitted by EU regulation 1881/2006 in milk and dairy products for direct human consumption. Recoveries (86-102%) and repeatability (RSDmilk and dairy products studied. The proposed method improves the performance of AFM1 analysis in milk samples as AFM1 determination is performed with a degree of accuracy higher than the conventional methods. Other advantages are the reduction of sample preparation procedure, time and cost of the analysis, enabling high sample throughput that meet the current concerns of food safety and the public health protection. Copyright © 2015 Elsevier B.V. All rights reserved.

  5. Numerical investigation of high pressure condensing flows in supersonic nozzles

    NARCIS (Netherlands)

    Azzini, L.; Pini, M.


    High-pressure non-equilibrium condensing flows are investigated in this paper through a quasi-1D Euler model coupled to the method of moments for the physical characterization of the dispersed phase. Two different numerical approaches, namely the so-called (a) the mixture and (b) continuum phase

  6. The high-pressure C2/ c P21/ c phase transition along the LiAlSi2O6 LiGaSi2O6 solid solution (United States)

    Nestola, Fabrizio; Ballaran, Tiziana Boffa; Ohashi, Haruo


    Two synthetic single-crystals with composition Li(Al0.53Ga0.47)Si2O6 and LiGaSi2O6 and space group C2/ c at room conditions have been studied under pressure by means of X-ray diffraction using a diamond anvil cell. The unit-cell parameters were determined at 12 and 10 different pressures up to P = 8.849 and P = 7.320 GPa for Li(Al0.53Ga0.47)Si2O6 and LiGaSi2O6, respectively. The sample with mixed composition shows a C2/c to P21/ c phase transformation between 1.814 and 2.156 GPa, first-order in character. The transition is characterised by a large and discontinuous decrease in the unit-cell volume and by the appearance of the b-type reflections ( h + k = odd) typical of the primitive symmetry. The Ga end-member shows the same C2/c to P21/ c transformation at a pressure between 0.0001 and 0.39 GPa. The low-pressure value at which the transition occurred did not allow collecting any data in the C2/ c pressure stability field except that on room pressure. Our results compared with those relative to spodumene (LiAlSi2O6, Arlt and Angel 2000a) indicate that the substitution of Al for Ga at the M1 site of Li-clinopyroxenes strongly affects the transition pressure causing a decrease from 3.17 GPa (spodumene) to less than 0.39 GPa (LiGaSi2O6) and decreases the volume discontinuity at the transition. As already found for other compounds, the C2 /c low-pressure phases are more rigid than the P21 /c high-pressure ones. Moreover, the increase of the M1 cation radius causes a decrease in the bulk modulus K T0. The axial compressibility among the Li-bearing clinopyroxenes indicates that the c axis is the most rigid for the C2 /c phases while it becomes the most compressible for the P21 /c phases.

  7. Proteomic analysis of oil body membrane proteins accompanying the onset of desiccation phase during sunflower seed development (United States)

    Thakur, Anita; Bhatla, Satish C


    A noteworthy metabolic signature accompanying oil body (OB) biogenesis during oilseed development is associated with the modulation of the oil body membranes proteins. Present work focuses on 2-dimensional polyacrylamide gel electrophoresis (2-D PAGE)-based analysis of the temporal changes in the OB membrane proteins analyzed by LC-MS/MS accompanying the onset of desiccation (20–30 d after anthesis; DAA) in the developing seeds of sunflower (Helianthus annuus L.). Protein spots unique to 20–30 DAA stages were picked up from 2-D gels for identification and the identified proteins were categorized into 7 functional classes. These include proteins involved in energy metabolism, reactive oxygen scavenging, proteolysis and protein turnover, signaling, oleosin and oil body biogenesis-associated proteins, desiccation and cytoskeleton. At 30 DAA stage, exclusive expressions of enzymes belonging to energy metabolism, desiccation and cytoskeleton were evident which indicated an increase in the metabolic and enzymatic activity in the cells at this stage of seed development (seed filling). Increased expression of cruciferina-like protein and dehydrin at 30 DAA stage marks the onset of desiccation. The data has been analyzed and discussed to highlight desiccation stage-associated metabolic events during oilseed development. PMID:26786011

  8. Polymerization of Formic Acid under High Pressure

    Energy Technology Data Exchange (ETDEWEB)

    Goncharov, A F; Manaa, M R; Zaug, J M; Fried, L E; Montgomery, W B


    We report combined Raman, infrared (IR) and x-ray diffraction (XRD) measurements, along with ab initio calculations on formic acid under pressure up to 50 GPa. Contrary to the report of Allan and Clark (PRL 82, 3464 (1999)), we find an infinite chain low-temperature Pna2{sub 1} structure consisting of trans molecules to be a high-pressure phase at room temperature. Our data indicate the symmetrization and a partially covalent character of the intra-chain hydrogen bonds above approximately 20 GPa. Raman spectra and XRD patterns indicate a loss of the long-range order at pressures above 40 GPa with a large hysteresis at decompression. We attribute this behavior to a three-dimensional polymerization of formic acid.

  9. High pressure Raman scattering of silicon nanowires

    Energy Technology Data Exchange (ETDEWEB)

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


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

  10. Decomposition of silicon carbide at high pressures and temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Daviau, Kierstin; Lee, Kanani K. M.


    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.

  11. High-pressure synthesis of tantalum dihydride (United States)

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


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

  12. Preparation of a hierarchically porous AlPO4 monolith via an epoxide-mediated sol–gel process accompanied by phase separation

    Directory of Open Access Journals (Sweden)

    Wenyan Li, Yang Zhu, Xingzhong Guo, Kazuki Nakanishi, Kazuyoshi Kanamori and Hui Yang


    Full Text Available Monolithic aluminum phosphate (AlPO4 with a macro–mesoporous structure has been successfully prepared via the sol–gel process accompanied by phase separation in the presence of poly(ethylene oxide (PEO. Gelation of the system has been mediated by propylene oxide (PO, while PEO induces a phase separation. The dried gel is amorphous, whereas the crystalline tridymite phase precipitates upon heating above 1000 °C. Heat treatment does not spoil the macroporous morphology of the AlPO4 monoliths. Nitrogen adsorption–desorption measurements revealed that the skeletons of the dried gels possess a mesostructure with a median pore size of about 30 nm and a surface area as high as 120 m2 g−1. Hydrothermal treatment before heat treatment can increase the surface area to 282 m2 g−1.

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

    Directory of Open Access Journals (Sweden)

    Nasir Abbas


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

  14. High-Pressure Lightweight Thrusters (United States)

    Holmes, Richard; McKechnie, Timothy; Shchetkovskiy, Anatoliy; Smirnov, Alexander


    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

  15. Structural properties of BeO at high pressure

    Indian Academy of Sciences (India)


    nuclear reactor (Zeezherun et al 1963). BeO has the wurzite structure (B4) under ambient condition, although the other BeX (X = S, Se and Te) crystallizes in zinc blend (B3). In recent past, phase transition at high pressure has been a subject of great interest for experi- mentalists as well as theoreticians. Recently, Yashihisa.

  16. High pressure studies of molecular lumenescence

    Energy Technology Data Exchange (ETDEWEB)

    Drickamer, H.G.


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

  17. High pressure effects on fruits and vegetables

    NARCIS (Netherlands)

    Timmermans, R.A.H.; Matser, A.M.


    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

  18. Coal swelling and thermoplasticity under high pressure

    Energy Technology Data Exchange (ETDEWEB)

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


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

  19. Depth Gauge for Liquids Under High Pressure (United States)

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


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

  20. Instability of the Si(1 0 0) dihydride phases accompanied by molecular emissions under pulsed-H irradiation (United States)

    Inanaga, S.; Gotoh, H.; Takeo, A.; Rahman, F.; Khanom, F.; Tsurumaki, H.; Namiki, A.


    We have measured the transient desorption of HD and D 2 molecules from D/Si(1 0 0) surfaces during pulsed H dosing for the surface temperatures from 443 to 593 K. Contrary to the direct D abstraction by H to generate HD desorptions, the adsorption-induced-desorption (AID) of D 2 takes place preferentially on the 3 × 1 dideuteride domains, with four transient desorption components characterized with ⩽0.005, ≃0.06, ≃0.8 s, and ≃30 s lifetimes. It is considered that the excess dihydrides (dideuterides) generated at the 3 × 1 local domains or at their boundaries may receive a thermal instability towards molecular emissions, either promptly returning to the original 3 × 1 phase or enlarging the dihydride domain area. The long ≃30 s lifetime component could be attributed to the molecular emissions that occur when the 3 × 1 dideuteride domains reduce their size at off-cycle of the H beam.

  1. High-Pressure Design of Advanced BN-Based Materials

    Directory of Open Access Journals (Sweden)

    Oleksandr O. Kurakevych


    Full Text Available The aim of the present review is to highlight the state of the art in high-pressure design of new advanced materials based on boron nitride. Recent experimental achievements on the governing phase transformation, nanostructuring and chemical synthesis in the systems containing boron nitride at high pressures and high temperatures are presented. All these developments allowed discovering new materials, e.g., ultrahard nanocrystalline cubic boron nitride (nano-cBN with hardness comparable to diamond, and superhard boron subnitride B13N2. Thermodynamic and kinetic aspects of high-pressure synthesis are described based on the data obtained by in situ and ex situ methods. Mechanical and thermal properties (hardness, thermoelastic equations of state, etc. are discussed. New synthetic perspectives, combining both soft chemistry and extreme pressure–temperature conditions are considered.

  2. Deformation Twinning of a Silver Nanocrystal under High Pressure

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Xiaojing; Yang, Wenge; Harder, Ross; Sun, Yugang; Liu, Ming; Chu, Yong S.; Robinson, Ian K.; Mao, Ho-kwang


    Within a high-pressure environment, crystal deformation is controlled by complex processes such as dislocation motion, twinning, and phase transitions, which change materials' microscopic morphology and alter their properties. Understanding a crystal's response to external stress provides a unique opportunity for rational tailoring of its functionalities. It is very challenging to track the strain evolution and physical deformation from a single nanoscale crystal under high-pressure stress. Here, we report an in situ three-dimensional mapping of morphology and strain evolutions in a single-crystal silver nanocube within a high-pressure environment using the Bragg Coherent Diffractive Imaging (CDI) method. We observed a continuous lattice distortion, followed by a deformation twining process at a constant pressure. The ability to visualize stress-introduced deformation of nanocrystals with high spatial resolution and prominent strain sensitivity provides an important route for interpreting and engineering novel properties of nanomaterials.

  3. Deformation Twinning of a Silver Nanocrystal under High Pressure

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Xiaojing; Yang, Wenge; Harder, Ross; Sun, Yugang; Lu, Ming; Chu, Yong S.; Robinson, Ian K.; Mao, Ho-kwang


    Within a high-pressure environment, crystal deformation is controlled by complex processes such as dislocation motion, twinning, and phase transitions, which change materials’ microscopic morphology and alter their properties. Understanding a crystal’s response to external stress provides a unique opportunity for rational tailoring of its functionalities. It is very challenging to track the strain evolution and physical deformation from a single nanoscale crystal under high-pressure stress. Here, we report an in situ three-dimensional mapping of morphology and strain evolutions in a single-crystal silver nanocube within a high-pressure environment using the Bragg Coherent Diffractive Imaging (CDI) method. We observed a continuous lattice distortion, followed by a deformation twining process at a constant pressure. The ability to visualize stress-introduced deformation of nanocrystals with high spatial resolution and prominent strain sensitivity provides an important route for interpreting and engineering novel properties of nanomaterials.

  4. A transcription-dependent increase in miniature EPSC frequency accompanies late-phase plasticity in cultured hippocampal neurons

    Directory of Open Access Journals (Sweden)

    Hofmann Frank


    Full Text Available Abstract Background The magnitude and longevity of synaptic activity-induced changes in synaptic efficacy is quantified by measuring evoked responses whose potentiation requires gene transcription to persist for more than 2-3 hours. While miniature EPSCs (mEPSCs are also increased in amplitude and/or frequency during long-term potentiation (LTP, it is not known how long such changes persist or whether gene transcription is required. Results We use whole-cell patch clamp recordings from dissociated hippocampal cultures to characterise for the first time the persistence and transcription dependency of mEPSC upregulation during synaptic potentiation. The persistence of recurrent action potential bursting in these cultures is transcription-, translation- and NMDA receptor-dependent thus providing an accessible model for long-lasting plasticity. Blockade of GABAA-receptors with bicuculline for 15 minutes induced action potential bursting in all neurons and was maintained in 50-60% of neurons for more than 6 hours. Throughout this period, the frequency but neither the amplitude of mEPSCs nor whole-cell AMPA currents was markedly increased. The transcription blocker actinomycin D abrogated, within 2 hours of burst induction, both action potential bursting and the increase in mEPSCs. Reversible blockade of action potentials during, but not after this 2 hour transcription period suppressed the increase in mEPSC frequency and the recovery of burst activity at a time point 6 hours after induction. Conclusion These results indicate that increased mEPSC frequency persists well beyond the 2 hour transcription-independent phase of plasticity in this model. This long-lasting mEPSC upregulation is transcription-dependent and requires ongoing action potential activity during the initial 2 hour period but not thereafter. Thus mEPSC upregulation may underlie the long term, transcription-dependent persistence of action potential bursting. This provides mechanistic

  5. High-pressure structures of yttrium hydrides (United States)

    Liu, Lu-Lu; Sun, Hui-Juan; Wang, C. Z.; Lu, Wen-Cai


    In this work, the crystal structures of YH3 and YH4 at high pressure (100-250 GPa) have been explored using a genetic algorithm combined with first-principles calculations. New structures of YH3 with space group symmetries of P21/m and I4/mmm were predicted. The electronic structures and the phonon dispersion properties of various YH3 and YH4 structures at different temperatures and pressures were investigated. Among YH3 phases, the P21/m structure of YH3 was found to have a relatively high superconducting transformation temperature T c of 19 K at 120 GPa, which is reduced to 9 K at 200 GPa. Other YH3 structures have much lower T cs. Compared with YH3, the T c of the YH4 compound is much higher, i.e. 94 K at 120 GPa and 55 K at 200 GPa.

  6. Exploring the coordination change of vanadium and structure transformation of metavanadate MgV2O6 under high pressure (United States)

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


    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

  7. Revealing properties of single-walled carbon nanotubes under high pressure

    CERN Document Server

    Tang Jie; Sasaki, T; Yudasaka, M; Matsushita, A; Iijima, S


    It was found by the x-ray diffraction experiment under hydrostatic pressure that the carbon nanotubes are compressed easily with a high volume compressibility of 0.024 GPa sup - sup 1. The single-walled carbon nanotubes are polygonized when they form bundles of hexagonal close-packed structure and the inter-tubular gap is smaller than the equilibrium spacing of graphite. Under high pressure, further polygonization occurs to accommodate the extra amount of volume reduction. The ratio of the short and the long diagonals in the hexagonalized cross section is found to have changed from 0.991 at zero pressure to 0.982 at 1.5 GPa pressure, when the Bragg reflection from the nanotube lattice diminished. Accompanying polygonization, a discontinuous change in electrical resistivity was observed at 1.5 GPa pressure, suggesting a phase transition had occurred.

  8. High-pressure behavior of CaMo O4 (United States)

    Panchal, V.; Garg, N.; Poswal, H. K.; Errandonea, D.; Rodríguez-Hernández, P.; Muñoz, A.; Cavalli, E.


    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.

  9. Application of High Pressure in Food Processing

    Directory of Open Access Journals (Sweden)

    Herceg, Z.


    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

  10. Nickel-graphite composites of variable architecture by graphitization-accompanied spark plasma sintering and hot pressing and their response to phase separation

    Directory of Open Access Journals (Sweden)

    Dudina D.V.


    Full Text Available We report the formation and phase separation response of nickel-graphite composites with variable-architecture phases by graphitization-accompanied consolidation via Spark Plasma Sintering and hot pressing. It was shown that the application of pressure during consolidation is crucial for the occurrence of graphitization and formation of 3D graphite structures. We evaluated the suitability of the synthesized composites as precursors for making porous structures. Nickel behaved as a space holder with the particle size and spatial distribution changing during consolidation with the temperature and determining the structure of porous graphite formed by phase separation by dissolution in HCl. The response of the consolidated Ni-Cgr to separation of carbon by its burnout in air was studied. The result of the carbon removal was either the formation of a dense and continuous NiO film on the surface of the compacts or oxidation through the compact thickness. The choice between these two options depended on the density of the compacts and on the presence of carbon dissolved in nickel. It was found that during the burnout of graphite from Ni-Cgr composites, sintering, rather than formation of pores, dominated.

  11. High-pressure study on some superconductors

    CERN Document Server

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


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

  12. High pressure structural studies of conjugated molecules

    DEFF Research Database (Denmark)

    Knaapila, Matti; Torkkeli, Mika; Scherf, Ullrich


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

  13. Pargasite at high pressure and temperature (United States)

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


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

  14. High-pressure polymorphism of acetylsalicylic acid (aspirin): Raman spectroscopy (United States)

    Crowell, Ethan L.; Dreger, Zbigniew A.; Gupta, Yogendra M.


    Micro-Raman spectroscopy was used to elucidate the high-pressure polymorphic behavior of acetylsalicylic acid (ASA), an important pharmaceutical compound known as aspirin. Using a diamond anvil cell (DAC), single crystals of the two polymorphic phases of aspirin existing at ambient conditions (ASA-I and ASA-II) were compressed to 10 GPa. We found that ASA-I does not transform to ASA-II, but instead transforms to a new phase (ASA-III) above ∼2 GPa. It is demonstrated that this transformation primarily introduces structural changes in the bonding and arrangement of the acetyl groups and is reversible upon the release of pressure. In contrast, a less dense ASA-II shows no transition in the pressure range studied, though it appears to exhibit a disordered structure above 7 GPa. Our results suggest that ASA-III is the most stable polymorph of aspirin at high pressures.

  15. Chemical Vapor Deposition at High Pressure in a Microgravity Environment (United States)

    McCall, Sonya; Bachmann, Klaus; LeSure, Stacie; Sukidi, Nkadi; Wang, Fuchao


    In this paper we present an evaluation of critical requirements of organometallic chemical vapor deposition (OMCVD) at elevated pressure for a channel flow reactor in a microgravity environment. The objective of using high pressure is to maintain single-phase surface composition for materials that have high thermal decomposition pressure at their optimum growth temperature. Access to microgravity is needed to maintain conditions of laminar flow, which is essential for process analysis. Based on ground based observations we present an optimized reactor design for OMCVD at high pressure and reduced gravity. Also, we discuss non-intrusive real-time optical monitoring of flow dynamics coupled to homogeneous gas phase reactions, transport and surface processes. While suborbital flights may suffice for studies of initial stages of heteroepitaxy experiments in space are essential for a complete evaluation of steady-state growth.

  16. High pressure processing for food safety. (United States)

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


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

  17. High pressure synthesis of amorphous TiO2 nanotubes

    Directory of Open Access Journals (Sweden)

    Quanjun Li


    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.

  18. Reinvestigation of high pressure polymorphism in hafnium metal

    Energy Technology Data Exchange (ETDEWEB)

    Pandey, K. K., E-mail:; Sharma, Surinder M. [High Pressure and Synchrotron Radiation Physics Division, Bhabha Atomic Research Centre, Mumbai-400 085 (India); Gyanchandani, Jyoti; Dey, G. K. [Materials Science Division, Bhabha Atomic Research Centre, Mumbai-400 085 (India); Somayazulu, M. [Geophysical Laboratory, Carnegie Institution of Washington, Washington, D.C. 20015 (United States); Sikka, S. K. [Indian National Science Academy, New Delhi-110 002 (India)


    There has been a recent controversy about the high pressure polymorphism of Hafnium (Hf). Unlike, the earlier known α→ω structural transition at 38 ± 8 GPa, at ambient temperature, Hrubiak et al. [J. Appl. Phys. 111, 112612 (2012)] did not observe it till 51 GPa. They observed this transition only at elevated temperatures. We have reinvestigated the room temperature phase diagram of Hf, employing x-ray diffraction (XRD) and DFT based first principles calculations. Experimental investigations have been carried out on several pure and impure Hf samples and also with different pressure transmitting media. Besides demonstrating the significant role of impurity levels on the high pressure phase diagram of Hf, our studies re-establish room temperature α→ω transition at high pressures, even in quasi-hydrostatic environment. We observed this transition in pure Hf with equilibrium transition pressure P{sub o} = 44.5 GPa; however, with large hysteresis. The structural sequence, transition pressures, the lattice parameters, the c/a ratio and its variation with compression for the α and ω phases as predicted by our ab-initio scalar relativistic (SR) calculations are found to be in good agreement with our experimental results of pure Hf.

  19. High-pressure behavior of methylammonium lead iodide (MAPbI{sub 3}) hybrid perovskite

    Energy Technology Data Exchange (ETDEWEB)

    Capitani, Francesco [Synchrotron SOLEIL, L' Orme des Merisiers, Saint-Aubin, 91192 Gif-sur-Yvette (France); Marini, Carlo [CELLS-ALBA, Carretera B.P. 1413, Cerdanyola del Valles 08290 (Spain); Caramazza, Simone; Postorino, Paolo [Department of Physics, University “Sapienza,” Rome (Italy); Garbarino, Gaston; Hanfland, Michael [European Synchrotron Radiation Facility, Grenoble Cedex (France); Pisanu, Ambra; Quadrelli, Paolo; Malavasi, Lorenzo, E-mail: [Department of Chemistry and INSTM, University of Pavia, Pavia (Italy)


    In this paper we provide an accurate high-pressure structural and optical study of the MAPbI{sub 3} hybrid perovskite. Structural data show the presence of a phase transition toward an orthorhombic structure around 0.3 GPa followed by full amorphization of the system above 3 GPa. After releasing the pressure, the system keeps the high-pressure orthorhombic phase. The occurrence of these structural transitions is further confirmed by pressure induced variations of the photoluminescence signal at high pressure. These variations clearly indicate that the bandgap value and the electronic structure of MAPI change across the phase transition.

  20. Thermal analysis of high pressure micro plasma discharge (United States)

    Mobli, Mostafa

    High pressure micro plasma discharge has been at the center of interest in recent years, because of their vast applications, ease of access and cost efficiency. This attributes to atmospheric discharges that are generated in ambient conditions and therefore can be readily applicable to everyday use. The absence of vacuum makes these high pressure discharges to be inexpensive to operate. Despite the ease of operation, the high pressure is a source of enhanced gas heating as the gas temperature cannot be controlled by diffusion alone. Gas heating is therefore an important factor when it comes to the simulation of high pressure micro plasma discharge, unlike their low pressure counterpart where the heat generation is almost negligible. Low pressure discharge due to their low degree of collisionality generates ionic species and electrons at small concentrations, whereas high pressure discharge due to their higher gas density produces ions and electrons at higher concentrations which is a direct consequence of increase collision. The higher gas density and consequential large concentration of ionic species and electron contributes directly to higher heat generation rates. . In this thesis the gas temperature transport of high pressure micro plasma discharge has been studied with a special focus on the heat source terms, temperature boundary conditions, temperature distribution in the solid phase electrodes and the gas phase and their overall influence on the plasma characteristics. For this purpose a multi-physics mathematical model has been developed that comprised of a plasma module, neutral gas temperature module, external circuit module and conjugate heat transfer module. The plasma module consisted of conservation of the different ionic, electronically excited species, radicals, neutrals and electrons, conservation of the electron temperature, and electric field. The external circuit module resolved the coupled driving circuit comprised of a voltage source, ballast

  1. Techniques in high pressure neutron scattering

    CERN Document Server

    Klotz, Stefan


    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

  2. High pressure water jet mining machine (United States)

    Barker, Clark R.


    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 and high temperature behaviour of ZnO

    Energy Technology Data Exchange (ETDEWEB)

    Thakar, Nilesh A. [K. K. Shah Jarodwala Maninagar Science College, Rambaug, Maninagar, Ahmedabad-380008 (India); Bhatt, Apoorva D. [Department of Physics, Gujarat University, Ahmedabad-380009 (India); Pandya, Tushar C., E-mail: [St. Xavier' s College, Navrangpura, Ahmedabad-380009 (India)


    The thermodynamic properties with the wurtzite (B4) and rocksalt (B1) phases of ZnO under high pressures and high temperatures have been investigated using Tait's Equation of state (EOS). The effects of pressures and temperatures on thermodynamic properties such as bulk modulus, thermal expansivity and thermal pressure are explored for both two structures. It is found that ZnO material gradually softens with increase of temperature while it hardens with the increment of the pressure. Our predicted results of thermodynamics properties for both the phases of ZnO are in overall agreement with the available data in the literature.

  4. Investigation of Methacrylic Acid at High Pressure Using Neutron Diffraction

    DEFF Research Database (Denmark)

    Marshall, William G.; Urquhart, Andrew; Oswald, Iain D. H.


    This article shows that pressure can be a low-intensity route to the synthesis of polymethacrylic acid. The exploration of perdeuterated methacrylic acid at high pressure using neutron diffraction reveals that methacrylic acid exhibits two polymorphic phase transformations at relatively low...... pressures. The first is observed at 0.39 GPa, where both phases were observed simultaneously and confirm our previous observations. This transition is followed by a second transition at 1.2 GPa to a new polymorph that is characterized for the first time. On increasing pressure, the diffraction pattern...

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

    DEFF Research Database (Denmark)

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


    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...... phase at ~0.8 GPa and remains molecular to 7.2 GPa before polymerising on decompression to ambient pressure. The resulting product is analysed via Raman, FT-IR spectroscopy and Differential Scanning Calorimetry and found to possess a different molecular structure compared with polymers produced via...

  6. High pressure synthesis of bismuth disulfide

    DEFF Research Database (Denmark)

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

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

  7. Development of high pressure proportional counters

    Energy Technology Data Exchange (ETDEWEB)

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


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

  8. High-field/high-pressure ESR. (United States)

    Sakurai, T; Okubo, S; Ohta, H


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

  9. High pressure and synchrotron radiation satellite workshop

    Energy Technology Data Exchange (ETDEWEB)

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


    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.

  10. High-pressure oxidation of methane

    NARCIS (Netherlands)

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


    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. High pressure metrology for industrial applications (United States)

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


    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.

  12. High pressure synthesis of BiS2

    DEFF Research Database (Denmark)

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

    crystal structures and electrical properties.1,2 Up until now, the most sulfur rich phase in the Bi-S phase diagram was Bi2S3.3 For BiS2 the Bi atoms have anisotropic charge distribution and more complex structures are expected when comparing the layered structures of transition metal dichalcogenides....... The possibilities of using high pressure synthesis to discover new phases in the Bi-S binary system were investigated as early as the 1960’s.4 The research led to discovery of a compound with BiS2 stoichiometry, but no structure solution of BiS2 was reported. A reason behind making this new phase is to study...

  13. Cementing liners through deep high pressure ones

    Energy Technology Data Exchange (ETDEWEB)

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


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

  14. Inspection technology for high pressure pipes

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Jae H.; Lee, Jae C.; Eum, Heung S.; Choi, Yu R.; Moon, Soon S.; Jang, Jong H


    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)

  15. High-pressure oxidation of methane

    DEFF Research Database (Denmark)

    Hashemi, Hamid; Christensen, Jakob Munkholt; Gersen, Sander


    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...

  16. Stability of xenon oxides at high pressures. (United States)

    Zhu, Qiang; Jung, Daniel Y; Oganov, Artem R; Glass, Colin W; Gatti, Carlo; Lyakhov, Andriy O


    Xenon, which is quite inert under ambient conditions, may become reactive under pressure. The possibility of the formation of stable xenon oxides and silicates in the interior of the Earth could explain the atmospheric missing xenon paradox. Using an ab initio evolutionary algorithm, we predict the existence of thermodynamically stable Xe-O compounds at high pressures (XeO, XeO(2) and XeO(3) become stable at pressures above 83, 102 and 114 GPa, respectively). Our calculations indicate large charge transfer in these oxides, suggesting that large electronegativity difference and high pressure are the key factors favouring the formation of xenon compounds. However, xenon compounds cannot exist in the Earth's mantle: xenon oxides are unstable in equilibrium with the metallic iron occurring in the lower mantle, and xenon silicates are predicted to decompose spontaneously at all mantle pressures (xenon atoms may be retained at defects in mantle silicates and oxides.

  17. The high-pressure behavior of bloedite

    DEFF Research Database (Denmark)

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


    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), ...

  18. observed by high pressure NMR and NQR

    Indian Academy of Sciences (India)

    Abstract. NMR and NQR studies on two interesting systems (URu2Si2, CeTIn5) were performed under high pressure. (1) URu2Si2: In the pressure range 3.0 to 8.3 kbar, we have observed new 29Si. NMR signals arising from the antiferromagnetic (AF) region besides the previously observed 29Si. NMR signals which come ...

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

    Energy Technology Data Exchange (ETDEWEB)

    Pace, Edward J.; Binns, Jack; Alvarez, Miriam Pena; Dalladay-Simpson, Philip; Gregoryanz, Eugene; Howie, Ross T. (Edinburgh); (CHPSTAR- China)


    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.

  20. CRRT Connected to ECMO: Managing High Pressures. (United States)

    de Tymowski, Christian; Augustin, Pascal; Houissa, Hamda; Allou, Nicolas; Montravers, Philippe; Delzongle, Alienor; Pellenc, Quentin; Desmard, Mathieu

    Metabolic disorders and fluid overload are indications of continuous renal replacement therapy (CRRT) including continuous venovenous hemofiltration in patients on extracorporeal membrane oxygenation (ECMO). Direct connection of CRRT machine to the ECMO circuit provides many advantages. Nevertheless, because pressures in CRRT lines relate to ECMO blood flow, high ECMO blood flow may be associated with high pressures in CRRT lines. Thus, management of CRRT pressure lines becomes challenging. We evaluated a protocol for managing high CRRT pressures. Connections were performed according to a standardized protocol to maintain CRRT lines in the correct pressure ranges without modifying ECMO settings or inhibiting pressure alarms. To achieve this goal, the way of connecting of CRRT lines was adapted following a standardized protocol. Connection was first attempted between pump and oxygenator in the 12 patients. In five cases, high pressures in CRRT lines were successfully managed by changing the connection segment. Continuous renal replacement therapy parameters were within target levels and reduction of serum creatinine was 37%. In conclusion, management of high pressures in CRRT lines induced by ECMO could be achieved without modifying ECMO blood flow or inhibiting CRRT alarms. Iterative stops were avoided allowing efficient procedures.

  1. High pressure synthesis gas conversion. Final report

    Energy Technology Data Exchange (ETDEWEB)


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

  2. LOX vaporization in high-pressure, hydrogen-rich gas (United States)

    Litchford, Ron J.; Jeng, San-Mou


    LOX droplet vaporization in high-pressure hydrogen-rich gas is analyzed, with special attention to thermodynamic effects which compel the surface to heat to the critical state and to supercritical vaporization processes on heating to criticality. Subcritical vaporization is modeled using a quasi-steady diffusion-controlled gas-phase transport formulation coupled to an effective-conductivity internal-energy-transport model accounting for circulation effects. It is demonstrated how the droplet surface might heat to the critical state, for ambient pressures slightly greater than the critical pressure of oxygen, such that the bulk of propellant within the droplet remains substantially below the critical mixing temperature.

  3. Piston cylinder cell for high pressure ultrasonic pulse echo measurements

    Energy Technology Data Exchange (ETDEWEB)

    Kepa, M. W., E-mail:; Huxley, A. D. [SUPA, Centre for Science at Extreme Conditions and School of Physics and Astronomy, University of Edinburgh, Edinburgh EH9 3JZ (United Kingdom); Ridley, C. J.; Kamenev, K. V. [Centre for Science at Extreme Conditions and School of Engineering, University of Edinburgh, Edinburgh EH9 3FD (United Kingdom)


    Ultrasonic techniques such as pulse echo, vibrating reed, or resonant ultrasound spectroscopy are powerful probes not only for studying elasticity but also for investigating electronic and magnetic properties. Here, we report on the design of a high pressure ultrasonic pulse echo apparatus, based on a piston cylinder cell, with a simplified electronic setup that operates with a single coaxial cable and requires sample lengths of mm only. The design allows simultaneous measurements of ultrasonic velocities and attenuation coefficients up to a pressure of 1.5 GPa. We illustrate the performance of the cell by probing the phase diagram of a single crystal of the ferromagnetic superconductor UGe{sub 2}.

  4. First-principles study of the high-pressure phase transition in ZnAl2O4 and ZnGa2O4 : From cubic spinel to orthorhombic post-spinel structures (United States)

    López, Sinhué; Romero, A. H.; Rodríguez-Hernández, P.; Muñoz, A.


    In this work we present a first-principles density functional study of the electronic, vibrational, and structural properties of ZnGa2O4 and ZnAl2O4 spinel structures. Here we focus our study in the evolution of the structural properties under hydrostatic pressure. Our results show that ZnGa2O4 under pressure has a first-order phase transition to the marokite (CaMn2O4) structure, which is in good agreement with recent angle-dispersive x-ray diffraction experiments. We also report a similar study for the ZnAl2O4 spinel; we found that this compound under pressure has a first-order phase transition to the orthorhombic CaFe2O4 -type structure. Our results in both compounds support, under nonhydrostatic condition, the possibility of a second-order phase transition from the cubic spinel to the tetragonal spinel as reported experimentally in ZnGa2O4 .


    Energy Technology Data Exchange (ETDEWEB)

    Stefano Orsino


    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

  6. Heterogeneous flow during high-pressure torsion

    Directory of Open Access Journals (Sweden)

    Roberto B. Figueiredo


    Full Text Available High-Pressure Torsion (HPT has attracted significant attention in recent years as an effective technique to process ultrafine and nanostructured materials. The hydrostatic pressure developed during processing prevents the occurrence of cracks and the low thickness to diameter ratio provides the opportunity for developing high strains at low numbers of rotations. The present work analyses the plastic flow during HPT. Experimental results and computer modeling are used to describe heterogeneous plastic flow. It is shown that variations in structure, hardness and in the distribution of strain are observed along the disc thickness. The sources of these heterogeneities are discussed.

  7. Foaming Glass Using High Pressure Sintering

    DEFF Research Database (Denmark)

    Østergaard, Martin Bonderup; Petersen, Rasmus Rosenlund; König, Jakob

    Foam glass is a high added value product which contributes to waste recycling and energy efficiency through heat insulation. The foaming can be initiated by a chemical or physical process. Chemical foaming with aid of a foaming agent is the dominant industrial process. Physical foaming has two...... variations. One way is by saturation of glass melts with gas. The other involves sintering of powdered glass under a high gas pressure resulting in glass pellets with high pressure bubbles entrapped. Reheating the glass pellets above the glass transition temperature under ambient pressure allows the bubbles...

  8. High pressure hydroformylation in the chemical industry

    Energy Technology Data Exchange (ETDEWEB)

    Paciello, R. [BASF Aktiengesellschaft, Ludwigshafen (Germany)


    Higher oxo alcohols are intermediates for large-scale applications, such as plasticizers, detergents and fuel additives, as well as being useful in the synthesis of fine chemicals such as vitamins or flavors and fragrances. Many of these alcohols are still made using high pressure technologies. Advantages and disadvantages of different technologies presently in use or being developed are discussed. In particular, efforts to decrease raw material costs, e.g. by increasing yield, or investment, e.g. by decreasing pressure, will be highlighted. (orig.)

  9. High Pressure and Temperature Effects in Polymers (United States)

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

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

  10. Novel stable structure of Li3PS4 predicted by evolutionary algorithm under high-pressure

    Directory of Open Access Journals (Sweden)

    S. Iikubo


    Full Text Available By combining theoretical predictions and in-situ X-ray diffraction under high pressure, we found a novel stable crystal structure of Li3PS4 under high pressures. At ambient pressure, Li3PS4 shows successive structural transitions from γ-type to β-type and from β-type to α type with increasing temperature, as is well established. In this study, an evolutionary algorithm successfully predicted the γ-type crystal structure at ambient pressure and further predicted a possible stable δ-type crystal structures under high pressure. The stability of the obtained structures is examined in terms of both static and dynamic stability by first-principles calculations. In situ X-ray diffraction using a synchrotron radiation revealed that the high-pressure phase is the predicted δ-Li3PS4 phase.

  11. High-Pressure Minerals in RC106: Formation at Modest Shock Pressures and very High Temperatures (United States)

    Sharp, T. G.; Trickey, R.; de Carli, P. S.; Xie, Z.


    The controversy concerning the pressures required to produce shock effects in meteorites began with the interpretation that shock veins in chondrites crystallize at pressures about 25 GPa (Chen et al. 1996) rather than the 50 -90 GPa inferred from “calibration” of shock effects from shock-recovery experiments (Stöffler et al. 1991). The 25 GPa estimate was based on phase equilibrium data for crystallization. The transformation of mafic silicate minerals into their high-pressure polymorphs within shock veins has been used as evidence for local excursions to extreme pressure and temperature. Here we present new data from the RC106 L6 S6 chondrite, that illustrates the importance of high temperatures and long shock durations. The shock vein consists of entrained fragments of chondrite in a matirix of quenched silicate and metal-sulfide melts. The silicate melt crystallized majorite-pyrope garnet and ferropericlase throughout the vein, with course (10-15 µm) granular garnets in the vein center and sub-µm dendritic garnets at the vein margins. All of the entrained olivine in the melt vein was transformed into ringwoodite. A distinct nanocrystalline boundary zone, composed of predominantly ringwoodite, occurs along much of the melt vein margin as a continuous blue layer. These zones contain quenched droplets of metal-sulfide melt that suggest a liquid origin. Some of the olivine in contact with the boundary zones is partially transformed to ringwoodite. The mineralogy and texture of the vein matrix indicate that the silicate liquid was quenched at approximately 23 GPa by conduction of heat into the surrounding chondrite host. We infer that boundary zones represent vein margin minerals that were melted by the influx of heat from the super heated melt vein. One explanation for the discrepancy in pressure estimates between shock recovery experiments and melt-vein crystallization has been that crystallization occurs during release from a much higher shock pressure

  12. New developments in high pressure x-ray spectroscopy beamline at High Pressure Collaborative Access Team. (United States)

    Xiao, Y M; Chow, P; Boman, G; Bai, L G; Rod, E; Bommannavar, A; Kenney-Benson, C; Sinogeikin, S; Shen, G Y


    The 16 ID-D (Insertion Device - D station) beamline of the High Pressure Collaborative Access Team at the Advanced Photon Source is dedicated to high pressure research using X-ray spectroscopy techniques typically integrated with diamond anvil cells. The beamline provides X-rays of 4.5-37 keV, and current available techniques include X-ray emission spectroscopy, inelastic X-ray scattering, and nuclear resonant scattering. The recent developments include a canted undulator upgrade, 17-element analyzer array for inelastic X-ray scattering, and an emission spectrometer using a polycapillary half-lens. Recent development projects and future prospects are also discussed.

  13. Prediction of Surface Porosity Defects in High Pressure Die Casting (United States)

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

    High pressure die casting (HPDC) is a novel manufacturing method with capability of mass production with higher accuracy. Porosity is one of the challenging defects in final product and may be affected by jet instability and atomization during injection phase. In case of atomization a large number of droplets with high velocity impinges the colder confining walls of the casting mold and might solidify consecutively. Different time scales of the impingement of the droplets and their solidification may result in heterogeneous structures near the surface of final product. A numerical framework using volume of fluid method (VOF) and an Eulerian-Lagrangian approach is established to simulate the liquid metal jet breakup and droplet formation during the injection phase. An analytical model for droplet impact on mold walls and solidification is studied and implemented in the numerical framework. The latter enables the prediction of porosity formation near the surface of final product.

  14. High pressure Raman spectra of monoglycine nitrate single crystal (United States)

    Carvalho, J. O.; Moura, G. M.; Dos Santos, A. O.; Lima, R. J. C.; Freire, P. T. C.; Façanha Filho, P. F.


    Single crystal of monoglycine nitrate has been studied by Raman spectroscopy under high pressures up to 5.5 GPa. The results show changes in lattice modes in the pressure ranges of 1.1-1.6 GPa and 4.0-4.6 GPa. The first change occurs with appearance of bands related to the lattice modes as well as discontinuity in the slope of dΩ/dP of these modes. Moreover, bands associated with the skeleton of glycine suggest that the molecule undergoes conformational modifications. The appearance of a strong band at 55 cm- 1 point to a second phase transition associated with the lattice modes, while the internal modes remain unchanged. These anomalies are probably due to rearrangement of hydrogen bonds. Additionally, decompression to ambient pressure shows that the phase transitions are reversible. Finally, the results show that the nitrate anions play an important role on the stability of the monoglycine nitrate crystal.

  15. Blue emitting organic semiconductors under high pressure

    DEFF Research Database (Denmark)

    Knaapila, Matti; Guha, Suchismita


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

  16. High pressure photophysics of organic molecules

    Energy Technology Data Exchange (ETDEWEB)

    Brey, L. A.


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

  17. Superconductivity from magnetic elements under high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Shimizu, Katsuya [KYOKUGEN, Research Center for Materials Science at Extreme Conditions, Osaka University, Osaka 560-8531 (Japan)]. E-mail:; Amaya, Kiichi [Toyota Physical and Chemical Research Institute, Aichi 480-1192 (Japan); Suzuki, Naoshi [Graduate School of Engineering Science, Osaka University, Osaka 560-8531 (Japan); Onuki, Yoshichika [Graduate School of Science, Osaka University, Osaka 560-0043 (Japan)


    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.

  18. Urea and deuterium mixtures at high pressures

    Energy Technology Data Exchange (ETDEWEB)

    Donnelly, M., E-mail:; 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)


    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.

  19. High-pressure structures of methane hydrate

    CERN Document Server

    Hirai, H; Fujihisa, H; Sakashita, M; Katoh, E; Aoki, K; Yamamoto, Y; Nagashima, K; Yagi, T


    Three high-pressure structures of methane hydrate, a hexagonal structure (str. A) and two orthorhombic structures (str. B and str. C), were found by in situ x-ray diffractometry and Raman spectroscopy. The well-known structure I (str. I) decomposed into str. A and fluid at 0.8 GPa. Str. A transformed into str. B at 1.6 GPa, and str. B further transformed into str. C at 2.1 GPa which survived above 7.8 GPa. The fluid solidified as ice VI at 1.4 GPa, and the ice VI transformed to ice VII at 2.1 GPa. The bulk moduli, K sub 0 , for str. I, str. A, and str. C were calculated to be 7.4, 9.8, and 25.0 GPa, respectively.

  20. Novel High Pressure Pump-on-a-Chip Technology Project (United States)

    National Aeronautics and Space Administration — HJ Science & Technology, Inc. proposes to develop a novel high pressure "pump-on-a-chip" (HPPOC) technology capable of generating high pressure and flow rate on...

  1. Anomalous high pressure behaviour in nanosized rare earth sesquioxides

    Energy Technology Data Exchange (ETDEWEB)

    Dilawar, Nita; Varandani, Deepak; Mehrotra, Shalini; Bandyopadhyay, Ashis K [Pressure and Vacuum Standards, National Physical Laboratory, Dr K S Krishnan Road, New Delhi 110012 (India); Poswal, Himanshu K; Sharma, Surinder M [High Pressure Physics Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India)


    We report Raman spectroscopic studies of the nanosized rare earth sesquioxides, namely yttrium sesquioxide (Y{sub 2}O{sub 3}), gadolinium sesquioxide (Gd{sub 2}O{sub 3}) and samarium sesquioxide (Sm{sub 2}O{sub 3}), under high pressure. The samples were characterized using x-ray diffraction, Raman spectroscopy and atomic force microscopy at atmospheric pressures. Y{sub 2}O{sub 3} and Gd{sub 2}O{sub 3} were found to be cubic at ambient, while Sm{sub 2}O{sub 3} was found to be predominantly cubic with a small fraction of monoclinic phase. The strongest Raman peaks are observed at 379, 344 and 363 cm{sup -1}, respectively, for Y{sub 2}O{sub 3}, Sm{sub 2}O{sub 3} and Gd{sub 2}O{sub 3}. All the samples were found to be nanosized with 50-90 nm particle sizes. The high pressures were generated using a Mao-Bell type diamond anvil cell and a conventional laser Raman spectrometer is used to monitor the pressure-induced changes. Y{sub 2}O{sub 3} seems to undergo a crystalline to partial amorphous transition when pressurized up to about 19 GPa, with traces of hexagonal phase. However, on release of pressure, the hexagonal phase develops into the dominant phase. Gd{sub 2}O{sub 3} is also seen to develop into a mixture of amorphous and hexagonal phases on pressurizing. However, on release of pressure Gd{sub 2}O{sub 3} does not show any change and the transformation is found to be irreversible. On the other hand, Sm{sub 2}O{sub 3} shows a weakening of cubic phase peaks while monoclinic phase peaks gain intensity up to about a pressure of 6.79 GPa. However, thereafter the monoclinic phase peaks also reduce in intensity and mostly disordering sets in which does not show significant reversal as the pressure is released. The results obtained are discussed in detail.

  2. Prediction of superconducting iron-bismuth intermetallic compounds at high pressure. (United States)

    Amsler, Maximilian; Naghavi, S Shahab; Wolverton, Chris


    The synthesis of materials in high-pressure experiments has recently attracted increasing attention, especially since the discovery of record breaking superconducting temperatures in the sulfur-hydrogen and other hydrogen-rich systems. Commonly, the initial precursor in a high pressure experiment contains constituent elements that are known to form compounds at ambient conditions, however the discovery of high-pressure phases in systems immiscible under ambient conditions poses an additional materials design challenge. We performed an extensive multi component ab initio structural search in the immiscible Fe-Bi system at high pressure and report on the surprising discovery of two stable compounds at pressures above ≈36 GPa, FeBi2 and FeBi3. According to our predictions, FeBi2 is a metal at the border of magnetism with a conventional electron-phonon mediated superconducting transition temperature of Tc = 1.3 K at 40 GPa.

  3. Evaluation of High Pressure Components of Fuel Injection Systems Using Speckle Interferometry


    Basara, Adis


    The modern high pressure fuel injection systems installed in engines provide a highly efficient combustion process accompanied by low emissions of exhaust gases and an impressive level of dynamic response. The design and development of mechanical components for such systems pose a great challenge, since they have to operate under extremely high fluctuating pressures (e.g. up to 2000 bar) for a long lifetime (more than 1000 injections per minute). The permanent change between a higher and a lo...

  4. Engineering Model of High Pressure Moist Air

    Directory of Open Access Journals (Sweden)

    Hyhlík Tomáš


    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.

  5. Phase transformations of amorphous semiconductor alloys under high pressures

    CERN Document Server

    Antonov, V E; Fedotov, V K; Harkunov, A I; Ponyatovsky, E G


    The paper reviews the results of experimental studies and thermodynamical modelling of metastable T-P diagrams of initially amorphous GaSb-Ge and Zn-Sb alloys which provide a new insight into the problem of pressure-induced amorphization.


    Directory of Open Access Journals (Sweden)



    Full Text Available This work describes a method to predict the solubility of essential oils in supercritical carbon dioxide. The method is based on the formulation proposed in 1979 by Asselineau, Bogdanic and Vidal. The Peng-Robinson and Soave-Redlich-Kwong cubic equations of state were used with the van der Waals mixing rules with two interaction parameters. Method validation was accomplished calculating orange essential oil solubility in pressurized carbon dioxide. The solubility of orange essential oil in carbon dioxide calculated at 308.15 K for pressures of 50 to 70 bar varied from 1.7± 0.1 to 3.6± 0.1 mg/g. For same the range of conditions, experimental solubility varied from 1.7± 0.1 to 3.6± 0.1 mg/g. Predicted values were not very sensitive to initial oil composition.

  7. High pressure phase transitions for CdSe

    Indian Academy of Sciences (India)


    of its major applications in solar cells and other optoelec- tronic devices ... tions in low cost devices such as LEDs, solar panels, .... Lattice constants a and c (Å), primitive cell volume V0 (Å3), bulk modulus B0 and its pressure derivative. Bj0 for ZB and WZ structural CdSe at 0 GPa and 0 K. Structure. V0 a c. B. Bj. ZB. Theory.

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

    Directory of Open Access Journals (Sweden)

    Syuma Yasuzuka and Keizo Murata


    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.

  9. A stable compound of helium and sodium at high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Dong, Xiao; Oganov, Artem R.; Goncharov, Alexander F.; Stavrou, Elissaios; Lobanov, Sergey; Saleh, Gabriele; Qian, Guang-Rui; Zhu, Qiang; Gatti, Carlo; Deringer, Volker L.; Dronskowski, Richard; Zhou, Xiang-Feng; Prakapenka, Vitali B.; Konôpková, Zuzana; Popov, Ivan A.; Boldyrev, Alexander I.; Wang, Hui-Tian


    Helium is generally understood to be chemically inert and this is due to its extremely stable closed-shell electronic configuration, zero electron affinity and an unsurpassed ionization potential. It is not known to form thermodynamically stable compounds, except a few inclusion compounds. Here, using the ab initio evolutionary algorithm USPEX and subsequent high-pressure synthesis in a diamond anvil cell, we report the discovery of a thermodynamically stable compound of helium and sodium, Na2He, which has a fluorite-type structure and is stable at pressures >113 GPa. We show that the presence of He atoms causes strong electron localization and makes this material insulating. This phase is an electride, with electron pairs localized in interstices, forming eight-centre two-electron bonds within empty Na8 cubes. We also predict the existence of Na2HeO with a similar structure at pressures above 15 GPa.

  10. In situ viscosity measurements of albite melt under high pressure

    CERN Document Server

    Funakoshi, K I; Terasaki, H


    The viscosities of albite (NaAlSi sub 3 O sub 8) melt under high pressures have been measured using an x-ray radiography falling sphere method with synchrotron radiation. This method has enabled us to determine the precise sinking velocity directly. Recent experiments of albite melt showed the presence of a viscosity minimum around 5 GPa (Poe et al 1997 Science 276 1245, Mori et al 2000 Earth Planet. Sci. Lett. 175 87). We present the results for albite melt up to 5.2 GPa at 1600 and 1700 deg. C. The viscosity minimum is clearly observed to be around 4.5 GPa, and it might be explained not by the change of the compression mechanism in albite melt but by change of the phase itself.

  11. High pressure, high current, low inductance, high reliability sealed terminals (United States)

    Hsu, John S [Oak Ridge, TN; McKeever, John W [Oak Ridge, TN


    The invention is a terminal assembly having a casing with at least one delivery tapered-cone conductor and at least one return tapered-cone conductor routed there-through. The delivery and return tapered-cone conductors are electrically isolated from each other and positioned in the annuluses of ordered concentric cones at an off-normal angle. The tapered cone conductor service can be AC phase conductors and DC link conductors. The center core has at least one service conduit of gate signal leads, diagnostic signal wires, and refrigerant tubing routed there-through. A seal material is in direct contact with the casing inner surface, the tapered-cone conductors, and the service conduits thereby hermetically filling the interstitial space in the casing interior core and center core. The assembly provides simultaneous high-current, high-pressure, low-inductance, and high-reliability service.

  12. High-pressure Brillouin study on methane hydrate

    CERN Document Server

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


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

  13. High-Pressure Synthesis of a Pentazolate Salt

    Energy Technology Data Exchange (ETDEWEB)

    Steele, Brad A.; Stavrou, Elissaios; Crowhurst, Jonathan C.; Zaug, Joseph M.; Prakapenka, Vitali B.; Oleynik, Ivan I.


    The pentazolates, the last all-nitrogen members of the azole series, have been notoriously elusive for the last hundred years despite enormous efforts to make these compounds in either gas or condensed phases. Here, we report a successful synthesis of a solid state compound consisting of isolated pentazolate anions N5–, which is achieved by compressing and laser heating cesium azide (CsN3) mixed with N2 cryogenic liquid in a diamond anvil cell. The experiment was guided by theory, which predicted the transformation of the mixture at high pressures to a new compound, cesium pentazolate salt (CsN5). Electron transfer from Cs atoms to N5 rings enables both aromaticity in the pentazolates as well as ionic bonding in the CsN5 crystal. This work provides critical insight into the role of extreme conditions in exploring unusual bonding routes that ultimately lead to the formation of novel high nitrogen content species.

  14. High-pressure studies of cycloheptane up to 30 GPa (United States)

    Ma, Chunli; Cui, Qiliang; Liu, Zhenxian


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

  15. Pressure Dome for High-Pressure Electrolyzer (United States)

    Norman, Timothy; Schmitt, Edwin


    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

  16. High Pressure Microwave Powered UV Light Sources (United States)

    Cekic, M.; Frank, J. D.; Popovic, S.; Wood, C. H.


    Industrial microwave powered (*electrodeless*) light sources have been limited to quiescent pressures of 300 Torr of buffer gas and metal- halide fills. Recently developed multi-atmospheric electronegative bu lb fills (noble gas-halide excimers, metal halide) require electric field s for ionization that are often large multiples of the breakdown voltage for air. For these fills an auxiliary ignition system is necessary. The most successful scheme utilizes a high voltage pulse power supply and a novel field emission source. Acting together they create localized condition of pressure reduction and high free electron density. This allows the normal microwave fields to drive this small region into avalanche, ignite the bulb, and heat the plasma to it's operating poin t Standard diagnostic techniques of high density discharges are inapplicable to the excimer bulbs, because of the ionic molecular exci ted state structure and absence of self-absorption. The method for temperature determination is based on the equilibrium population of certain vibrational levels of excimer ionic excited states. Electron d ensity was determined from the measurements of Stark profiles of H_β radiation from a small amount of hydrogen mixed with noble gas and halogens. At the present time, high pressure (Te 0.5eV, ne 3 x 10^17 cm-3) production bulbs produce over 900W of radiation in a 30nm band, centered at 30nm. Similarly, these prototypes when loaded with metal-halide bulb fills produce 1 kW of radiation in 30nm wide bands, centered about the wavelength of interest.

  17. Cobalt ferrite nanoparticles under high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Saccone, F. D.; Ferrari, S.; Grinblat, F.; Bilovol, V. [Instituto de Tecnologías y Ciencias de la Ingeniería, “Ing. H. Fernández Long,” Av. Paseo Colón 850 (1063), Buenos Aires (Argentina); Errandonea, D., E-mail: [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)


    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.

  18. Hydrogen bond effects on compressional behavior of isotypic minerals: high-pressure polymorphism of cristobalite-like Be(OH)2

    Energy Technology Data Exchange (ETDEWEB)

    Shelton, Hannah; Barkley, Madison C.; Downs, Robert T.; Miletich, Ronald; Dera, Przemyslaw


    Three isotypic crystals, SiO2 (α-cristobalite), ε-Zn(OH)2 (wülfingite), and Be(OH)2 (β-behoite), with topologically identical frameworks of corner-connected tetrahedra, undergo displacive compression-driven phase transitions at similar pressures (1.5–2.0 GPa), but each transition is characterized by a different mechanism resulting in different structural modifications. In this study, we report the crystal structure of the high-pressure γ-phase of beryllium hydroxide and compare it with the high-pressure structures of the other two minerals. In Be(OH)2, the transition from the ambient β-behoite phase with the orthorhombic space group P212121 and ambient unit cell parameters a = 4.5403(4) Å, b = 4.6253(5) Å, c = 7.0599(7) Å, to the high-pressure orthorhombic γ-polymorph with space group Fdd2 and unit cell parameters (at 5.3(1) GPa) a = 5.738(2) Å, b = 6.260(3) Å, c = 7.200(4) Å takes place between 1.7 and 3.6 GPa. This transition is essentially second order, is accompanied by a negligible volume discontinuity, and exhibits both displacive and reversible character. The mechanism of the phase transition results in a change to the hydrogen bond connectivities and rotation of the BeO4 tetrahedra.

  19. High pressure semiconductor physics: Looking toward the future on the shoulder of the past

    Energy Technology Data Exchange (ETDEWEB)

    Yu, Peter Y. [Department of Physics, University of California and Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States)


    High pressure measurements attracted attention from the Semiconductor Physics community after the discovery of William Paul's Empirical Rule. The technique gained further momentum with the invention of the diamond-anvils high pressure cell. Since diamond is transparent from near IR to near UV many forms of optical spectroscopy (such as photoluminescence, modulation spectroscopy, and Raman scattering) have now been routinely carried out under high pressure. The fact that diamonds are also transparent to X-ray means structural phase transitions induced by pressure can be studied together with optical measurements. Further advances, such as electrical and magnetic measurements under hydrostatic (and sometimes quasi-hydrostatic) high pressure conditions, have established high pressure as a general, powerful, and indispensable technique in studying semiconductors. From a review of these past achievements I will attempt to ''predict'' how high pressure techniques will impact semiconductor physics in the future. I will draw examples from areas as diverse as new materials for spintronics and renewable energies, topological insulators to possible multi-ferroic semiconductors. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  20. High pressure x-ray diffraction study of nickel-copper chromites solid solutions (United States)

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


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

  1. The effect of high pressure on the intracellular trehalose synthase activity of Thermus aquaticus. (United States)

    Dong, Yongsheng; Ma, Lei; Duan, Yuanliang


    To understand the effect of high pressure on the intracellular trehalose synthase activity, Thermus aquaticus (T. aquaticus) in the logarithmic growth phase was treated with high-pressure air, and its intracellular trehalose synthase (TSase) activity was determined. Our results indicated that pressure is a factor strongly affecting the cell growth. High pressure significantly attenuated the growth rate of T. aquaticus and shortened the duration of stationary phase. However, after 2 h of culture under 1.0 MPa pressure, the activity of intracellular TSase in T. aquaticus reached its maximum value, indicating that pressure can significantly increase the activity of intracellular TSase in T. aquaticus. Thus the present study provides an important guide for the enzymatic production of trehalose.

  2. High-pressure high-temperature decomposition of CeCoGa to the Laves phases CeCo{sub 0.58}Ga{sub 1.42}, CeCo{sub 0.72}Ga{sub 1.28}, and CeCo{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Niehaus, Oliver; Rodewald, Ute C.; Heying, Birgit; Poettgen, Rainer [Muenster Univ. (Germany). Inst. fuer Anorganische und Analytische Chemie; Heymann, Gunter; Huppertz, Hubert [Innsbruck Univ. (Austria). Inst. fuer Allgemeine, Anorganische und Theoretische Chemie


    The monoclinic intermediate-valent gallide CeCoGa decomposes under high-pressure (HP) (9.5 GPa) high-temperature (HT) (1470 K) conditions into the Laves phases CeCo{sub 0.58}Ga{sub 1.42} (MgCu{sub 2} type), CeCo{sub 0.72}Ga{sub 1.28} (MgZn{sub 2} type; major product phase), and CeCo{sub 2} (MgCu{sub 2} type). The structures of the ternary Laves phases were refined from single crystal X-ray diffractometer data: Fd anti 3m, a=778.3(1) pm, wR2=0.0310, 63 F{sup 2} values, five variables for CeCo{sub 0.58(3)}Ga{sub 1.42(3)} and P6{sub 3}/mmc, a=547.24(5), c=858.76(7) pm, wR2=0.1009, 195 F{sup 2} values, 13 variables for CeCo{sub 0.72(1)}Ga{sub 1.28(1)}. Partial substitution of cobalt by gallium leads to a significant increase of the distances within the tetrahedral network: 253 pm Co-Co in CeCo{sub 2} as compared to 275 pm in CeCo{sub 0.58(3)}Ga{sub 1.42(3)} and 265-277 pm in CeCo{sub 0.72(1)}Ga{sub 1.28(1)}. The crystal chemical consequences are briefly discussed.

  3. High-pressure structure and elastic properties of tantalum single crystal: First principles investigation (United States)

    Gu, Jian-Bing; Wang, Chen-Ju; Zhang, Wang-Xi; Sun, Bin; Liu, Guo-Qun; Liu, Dan-Dan; Yang, Xiang-Dong


    Since knowledge of the structure and elastic properties of Ta at high pressures is critical for addressing the recent controversies regarding the high-pressure stable phase and elastic properties, we perform a systematical study on the high-pressure structure and elastic properties of the cubic Ta by using the first-principles method. Results show that the initial body-centered cubic phase of Ta remains stable even up to 500 GPa and the high-pressure elastic properties are excellently consistent with the available experimental results. Besides, the high-pressure sound velocities of the single- and poly-crystals Ta are also calculated based on the elastic constants, and the predications exhibit good agreement with the existing experimental data. Project supported by the Basic and Frontier Technical Research Project of Henan Province, China (Grant No. 152300410228), the University Innovation Team Project in Henan Province, China (Grant No. 15IRTSTHN004), and the Key Scientific Research Project of Higher Education of Henan Province, China (Grant No. 17A140014).

  4. Nanocomposite Thermolectric Materials by High Pressure Powder Consolidation Manufacturing Project (United States)

    National Aeronautics and Space Administration — In response to NASA's need to develop advanced nanostructured thermolectric materials, UTRON is proposing an innovative high pressure powder consolidation...

  5. Simulation and analysis of turbulent multiphase combustion processes at high pressures (United States)

    Oefelein, Joseph Charles

    This research focuses on the time-accurate simulation and analysis of high-pressure mixing and combustion processes in turbulent mixing layers. The objectives are: (1) to provide insight with respect to the many uncertainties associated with modeling turbulent, reacting, multiphase flow at near-critical pressures; (2) to establish a baseline theoretical framework and criteria which addresses model performance and accuracy requirements; and (3) to analyze high-pressure phenomena at the operating conditions typically employed in state of the art combustors. Results address fundamental issues related to modeling and understanding unsteady reacting flow dynamics at near-critical conditions by focusing on mixing and combustion processes in hydrogen-oxygen systems. The approach follows four fundamental steps: (1) the development of a generalized theoretical framework; (2) the specification of detailed property evaluation schemes and consistent closure methodologies; (3) the implementation of an efficient and time-accurate numerical framework; and (4) the presentation and analysis of a systematic series of case studies which focus on model performance and accuracy requirements, Lagrangian-Eulerian treatments of transcritical spray field dynamics, and pure Eulerian treatments of transcritical and supercritical mixing and combustion processes. The theoretical framework is based on the large-eddy-simulation technique, employs state of the art correlations to model the particulate phase, and employs a recently optimized 24-step finite-rate kinetics mechanism. The numerical framework is based on a preconditioned, density-based, finite-volume methodology that takes full account of thermodynamic nonidealities and transport anomalies and accommodates any arbitrary equation of state. Case studies focus on model performance and accuracy requirements, Lagrangian-Eulerian treatments of transcritical spray field dynamics, and pure Eulerian treatments of transcritical and supercritical

  6. Microstructure of high-pressure die-casting AM50 magnesium alloy


    Dabrowski, R.; K.N. Braszczynska -Malik; Braszczynski, J.


    Microstructure analyses of high-pressure die-casting AM50 magnesium alloy are presented. Investigated pressure casting wasproduced on a cold chamber die-casting machine with locking force at 1100 tones in “FINNVEDEN Metal Structures”. Light microscopyand X-ray phase analysis techniques were used to characterize the obtained material. In microstructure, an

  7. Microstructure of high-pressure die-casting AM50 magnesium alloy

    Directory of Open Access Journals (Sweden)

    R. Dabrowski


    Full Text Available Microstructure analyses of high-pressure die-casting AM50 magnesium alloy are presented. Investigated pressure casting wasproduced on a cold chamber die-casting machine with locking force at 1100 tones in “FINNVEDEN Metal Structures”. Light microscopyand X-ray phase analysis techniques were used to characterize the obtained material. In microstructure, an

  8. Metal additive manufacturing of a high-pressure micro-pump

    NARCIS (Netherlands)

    Wits, Wessel Willems; Weitkamp, Sander J.; van Es, J.; van Es, Johannes


    For the thermal control of future space applications pumped two-phase loops are an essential part to handle the increasing thermal power densities. This study investigates the design of a reliable, leak tight, low-weight and high-pressure micro-pump for small satellite applications. The developed

  9. A high-pressure van der Waals compound in solid nitrogen-helium mixtures (United States)

    Vos, W. L.; Finger, L. W.; Hemley, R. J.; Hu, J. Z.; Mao, H. K.; Schouten, J. A.


    A detailed diamond anvil-cell study using synchrotron X-ray diffraction, Raman scattering, and optical microscopy has been conducted for the He-N system, with a view to the weakly-bound van der Waals molecule interactions that can be formed in the gas phase. High pressure is found to stabilize the formation of a stoichiometric, solid van der Waals compound of He(N2)11 composition which may exemplify a novel class of compounds found at high pressures in the interiors of the outer planets and their satellites.

  10. The present status of high-pressure research at Beijing Synchrotron Radiation Facility

    CERN Document Server

    Liu, J; Li, Y C


    The present status of high-pressure research at Beijing Synchrotron Radiation Facility is reported. A ten-poles wiggler beamline provides a white beam for investigating samples using a diamond anvil cell. In situ energy-dispersive diffraction is used to determine the pressure-induced phase transitions and equations of state. High pressure can be stably applied by a stepper-motorized loading system with a strain sensor. Some megabar experiments have been carried out without damage on diamonds. Improved beam collimation reduces the background and eliminates gasket scatter. Some research and future developments are also presented.

  11. Anomalous perovskite PbRuO3 stabilized under high pressure (United States)

    Cheng, J.-G.; Kweon, K. E.; Zhou, J.-S.; Alonso, J. A.; Kong, P.-P.; Liu, Y.; Jin, Changqing; Wu, Junjie; Lin, Jung-Fu; Larregola, S. A.; Yang, Wenge; Shen, Guoyin; MacDonald, A. H.; Manthiram, Arumugam; Hwang, G. S.; Goodenough, John B.


    Perovskite oxides ABO3 are important materials used as components in electronic devices. The highly compact crystal structure consists of a framework of corner-shared BO6 octahedra enclosing the A-site cations. Because of these structural features, forming a strong bond between A and B cations is highly unlikely and has not been reported in the literature. Here we report a pressure-induced first-order transition in PbRuO3 from a common orthorhombic phase (Pbnm) to an orthorhombic phase (Pbn21) at 32 GPa by using synchrotron X-ray diffraction. This transition has been further verified with resistivity measurements and Raman spectra under high pressure. In contrast to most well-studied perovskites under high pressure, the Pbn21 phase of PbRuO3 stabilized at high pressure is a polar perovskite. More interestingly, the Pbn21 phase has the most distorted octahedra and a shortest Pb—Ru bond length relative to the average Pb—Ru bond length that has ever been reported in a perovskite structure. We have also simulated the behavior of the PbRuO3 perovskite under high pressure by first principles calculations. The calculated critical pressure for the phase transition and evolution of lattice parameters under pressure match the experimental results quantitatively. Our calculations also reveal that the hybridization between a Ru:t2g orbital and an sp hybrid on Pb increases dramatically in the Pbnm phase under pressure. This pressure-induced change destabilizes the Pbnm phase to give a phase transition to the Pbn21 phase where electrons in the overlapping orbitals form bonding and antibonding states along the shortest Ru—Pb direction at P > Pc. PMID:24277807

  12. Effects of high-pressure processing (HPP) on the microbiological ...

    African Journals Online (AJOL)



    Dec 29, 2009 ... High pressure processing (HPP) is an increasingly popular food processing method that offers great potential within the food industry. ... Key words: High pressure processing, fresh cheese, dairy, spoilage. INTRODUCTION. Food ..... chemical reactions and genetic mechanisms. Primarily,. HP treatment ...

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

    Indian Academy of Sciences (India)

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

  14. Quantum effects in condensed matter at high pressure

    CERN Document Server

    Stishov, S M


    Experimental data on the influence of quantum effects on the equation of state and melting at high pressure are reviewed. It is shown that quantum isotopic effects tend to increase upon compression of substances with predominately Coulomb interaction, whereas compression of the van der Waals substances reveals the opposite trend. The cold melting of Coulomb substances at high pressure is discussed

  15. Tertiary plate tectonics and high-pressure metamorphism in New Caledonia (United States)

    Brothers, R.N.; Blake, M.C.


    The sialic basement of New Caledonia is a Permian-Jurassic greywacke sequence which was folded and metamorphosed to prehnite-pumpellyite or low-grade greenschist facies by the Late Jurassic. Succeeding Cretaceous-Eocene sediments unconformably overlie this basement and extend outwards onto oceanic crust. Tertiary tectonism occurred in three distinct phases. 1. (1) During the Late Eocene a nappe of peridotite was obducted onto southern New Caledonia from northeast to southwest, but without causing significant metamorphism in the underlying sialic rocks. 2. (2) Oligocene compressive thrust tectonics in the northern part of the island accompanied a major east-west subduction zone, at least 30 km wide, which is identified by an imbricate system of tectonically intruded melanges and by development of lawsonite-bearing assemblages in adjacent country rocks; this high-pressure mineralogy constituted a primary metamorphism for the Cretaceous-Eocene sedimentary pile, but was overprinted on the Mesozoic prehnite-pumpellyite metagreywackes. 3. (3) Post-Oligocene transcurrent faulting along a northwest-southeast line (the sillon) parallel to the west coast caused at least 150 km of dextral offset of the southwest frontal margin of the Eocene ultramafic nappe. At the present time, the tectonics of the southwest Pacific are related to a series of opposite facing subduction (Benioff) zones connected by transform faults extending from New Britain-Solomon Islands south through the New Hebrides to New Zealand and marking the boundary between the Australian and Pacific plates. Available geologic data from this region suggest that a similar geometry existed during the Tertiary and that the microcontinents of New Guinea, New Caledonia and New Zealand all lay along the former plate boundary which has since migrated north and east by a complex process of sea-floor spreading behind the active island arcs. ?? 1973.

  16. Solubility of silicon in hcp-iron at high pressure (United States)

    Kuwayama, Y.


    The Earth's outer core is believed to be composed of liquid iron alloy with one or more light elements (e.g., Birch 1952; Poirier 1994). Although a number of elements lighter than iron, including hydrogen, carbon, oxygen, silicon, and sulfur, have been considered by various researchers as potential light elements in the Earth's core, silicon is one of the most attractive candidates for the light element in the core (e.g., Takafuji et al. 2005; Sakai et al. 2006; Ozawa et al. 2008, 2009, Wood et al., 2008). The Earth's inner core is considered to consist mainly of a solid iron-nickel alloy. However, multiple experimental studies revealed that the inner core is also less dense than pure iron, indicating the presence of light components in the inner core (e.g., Jephcoat and Olson 1987; Mao et al. 1998; Lin et al. 2005; Badro et al. 2007). If silicon is indeed a major light element in the liquid outer core, the maximum amount of silicon that can be incorporated in the solid inner core during inner-core solidification is limited by the solubility of silicon in solid iron at the pressure of the inner core boundary. Therefore the phase relations of iron-silicon alloys, especially the solubility of silicon in solid iron at high pressure and temperature, are the key to understanding the composition, structure, and crystallization of the inner core. The phase relations of iron-silicon alloys at high pressure have been extensively studied using a multi-anvil apparatus (Zhang and Guyot 1999; Dobson et al. 2002; Kuwayama and Hirose 2004) and a diamond-anvil cell with in-situ x-ray diffraction measurements (Lin et al. 2002; Lin et al. 2003; Dubrovinsky et al. 2003; Hirao et al. 2004; Asanuma et al. 2008, Lin et al 2009, Kuwayama et al. 2009). Below 200 GPa, the solubility of silicon in solid hcp-iron has been well studied. Solid hcp-iron can contain at least ~10 wt% Si at low temperature, but it decomposed to iron-rich hcp phase and silicon-rich bcc phase at high temperature

  17. Transport properties of liquid metal hydrogen under high pressures (United States)

    Brown, R. C.; March, N. H.


    A theory is developed for the compressibility and transport properties of liquid metallic hydrogen, near to its melting point and under high pressure. The interionic force law is assumed to be of the screened Coulomb type, because hydrogen has no core electrons. The random phase approximation is used to obtain the structure factor S(k) of the system in terms of the Fourier transform of this force law. The long wavelenth limit of the structure factor S(o) is related to the compressibility, which is much lower than that of alkali metals at their melting points. The diffusion constant at the melting point is obtained in terms of the Debye frequency, using a frequency spectrum analogous with the phonon spectrum of a solid. A similar argument is used to obtain the combined shear and bulk viscosities, but these depend also on S(o). The transport coefficients are found to be about the same size as those of alkali metals at their melting points.

  18. Production of nanograined intermetallics using high-pressure torsion

    Energy Technology Data Exchange (ETDEWEB)

    Alhamidi, Ali; Edalati, Kaveh; Horita, Zenji, E-mail: [Department of Materials Science and Engineering, Faculty of Engineering, Kyushu University, Fukuoka (Japan)


    Formation of intermetallics is generally feasible at high temperatures when the lattice diffusion is fast enough to form the ordered phases. This study shows that nanograined intermetallics are formed at a low temperature as 573 K in Al- 25 mol% Ni, Al- 50 mol.% Ni and Al- 50 mol% Ti powder mixtures through powder consolidation using high-pressure torsion (HPT). For the three compositions, the hardness gradually increases with straining but saturates to the levels as high as 550-920 Hv. In addition to the high hardness, the TiAl material exhibits high yield strength as {approx}3 GPa with good ductility as {approx}23%, when they are examined by micropillar compression tests. X-ray diffraction analysis and high-resolution transmission electron microscopy reveal that the significant increase in hardness and strength is due to the formation of nanograined intermetallics such as Al{sub 3}Ni, Al{sub 3}Ni{sub 2}, TiAl{sub 3}, TiAl{sub 2} and TiAl with average grain sizes of 20-40 nm (author)

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

    Energy Technology Data Exchange (ETDEWEB)

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


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

  20. Rapid Heat Treatment of Aluminum High-Pressure Diecastings (United States)

    Lumley, R. N.; Polmear, I. J.; Curtis, P. R.


    Recently, it has been demonstrated that common high-pressure diecasting (HPDC) alloys, such as those based on the Al-Si-Cu and Al-Si-Mg-(Cu) systems, may be successfully heat treated without causing surface blistering or dimensional instability. In some compositions, the capacity to exploit age hardening may allow the proof stress values to be doubled when compared to the as-cast condition. This heat treatment procedure involves the use of severely truncated solution treatment cycles conducted at lower than normal temperatures, followed by quenching and natural or artificial aging. The potential therefore exists to develop and evaluate secondary HPDC alloys designed specifically for rapid heat treatment, while still displaying high castability. This article reports results of an experimental program in which responses of various alloy compositions to age hardening have been investigated with the primary aim of further reducing the duration and cost of the heat treatment cycle while maintaining high tensile properties. Composition ranges have been established for which values of 0.2 pct proof stress exceeding 300 MPa ( i.e., increases of ~100 pct above as-cast values) can be achieved using a procedure that involves a total time for solution treatment plus age hardening of only 30 minutes. This rapid aging behavior is shown to be related to precipitation of the complex Q' phase, which forms primarily when Mg contents of the alloys are above ~0.2 wt pct.

  1. New perspectives on potential hydrogen storage materials using high pressure. (United States)

    Song, Yang


    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.

  2. Ultrasonic depth gauge for liquids under high pressure (United States)

    Zuckerwar, Allan J. (Inventor); Mazel, David S. (Inventor)


    The invention relates to an ultrasonic depth gauge for liquids under high pressure and is particularly useful in the space industry where it is necessary to use a pressurized gas to transfer a liquid from one location to another. Conventional liquid depth gauges do not have the capability to operate under extreme high pressure (i.e., exceeding 300 psi). An ultrasonic depth gauge capable of withstanding high pressure according to the present invention is comprised of a transducer assembly and a supporting electronics unit. The former is mounted in to the bottom wall of a storage vessel with its resonating surface directly exposed to the highly pressurized liquid in the vessel. In operation, the ultrasonic pulse propagates upward through the liquid to the liquid-gas interface in the storage vessel. When the ultrasonic echo returns from the liquid-gas interface, it re-excites the composite resonator into vibration. The supporting electronics unit measures the round-trip transmit time for the ultrasonic pulse and its return echo to traverse the depth of the highly pressurized liquid. The novelty of the invention resides in the use of a conventional transducer rigidly bonded to the inside wall of a bored out conventional high-pressure plug to form a composite resonator capable of withstanding extremely high pressure.

  3. Evolution of Titan's High-Pressure Ice layer (United States)

    Sotin, C.; Kalousova, K.


    Constraints on the present interior structure of Titan come from the gravity science experiment onboard the Cassini spacecraft and from the interpretation of the Extremely Low Frequency (ELF) wave observed by the Huygens probe [1, 2]. From the surface to the center, Titan would be composed of 4 layers: an icy crust, a global salty ocean, a layer of high-pressure ice (HP ice) and a core made of hydrated silicates [2, 3, 4]. The presence of a large amount of 40Ar in Titan's atmosphere argues for a geologically recent exchange process between the silicate core, where 40Ar is produced by the decay of 40K, and the atmosphere. Argon must then be able to be transported from the silicate core to the surface. This study investigates how volatiles can be transported through the HP ice layer.Recent numerical simulations [5] have demonstrated that the dynamics of the HP ice layer is controlled by convection processes in a two-phase material (water and high-pressure ice). The silicate / HP ice interface is maintained at the melting temperature, which might allow for the incorporation of volatiles such as 40Ar into the convecting HP ice. Above the hot thermal boundary layer, the temperature of the convecting HP ice is below the melting temperature, except for the upwelling plumes when they approach the cold thermal boundary layer. The upper part of the HP ice layer is at the melting point and permeable for water transport, providing a path for the transfer of volatiles trapped in the ice towards the ocean.Scaling laws are inferred from the numerical simulations [5]. They are then used to model the evolution of the HP ice layer. Specifically, we look at the effect of (i) ice viscosity, (ii) heat flux at the silicate/HP ice interface, and (iii) presence of anti-freeze compounds in the ocean, on the thickness of the HP ice layer. In addition, our results provide insights on possible resurfacing processes that could explain the geologically young age of Titan's surface. This work

  4. Safety analysis of high pressure gasous fuel container punctures

    Energy Technology Data Exchange (ETDEWEB)

    Swain, M.R. [Univ. of Miami, Coral Gables, FL (United States)


    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.

  5. Implement and application of ultra-high pressures environment (United States)

    Xian Zhang, Yu; Li, Nan; Liu, Bin Bin; Wang, Hong


    A hydraulic system was designed which was used to generate hydrostatic ultra-high pressure environment. The functions and roles of the main elements in the hydraulic system were introduced. Deformation theory based on ultrahigh pressure cylinder was analyzed. The principle and method about measuring ultra-high pressure cylinder radial and circumferential elastic line-strain by a dial indicator were illustrated. A practical example was given to illustrate the practicability and validity of this method. The measures to decrease the measurement error were pointed out. The described priciples and methods have a certain theoretical and practical significance in engineering research and application of ultra-high pressure.

  6. High-pressure vapor-liquid equilibrium data for CO2-orange peel oil

    Directory of Open Access Journals (Sweden)

    G.R. Stuart


    Full Text Available Recently, there has been a growing interest in fractionating orange peel oil by the use of supercritical carbon dioxide (SCCO2. However, progress in this area has been hindered by the lack of more comprehensive work concerning the phase equilibrium behavior of the SCCO2-orange peel oil system. In this context, the aim of this work is to provide new phase equilibrium data for this system over a wide range of temperatures and pressures, permitting the construction of coexistence PT-xy curves as well as the P-T diagram. The experiments were performed in a high-pressure variable-volume view cell in the temperature range of 50-70ºC from 70 to 135 atm and in the CO2 mass fraction composition range of 0.35-0.98. Based on the experimental phase equilibrium results, appropriate operating conditions can be set for high-pressure fractionation purposes.

  7. High-pressure studies on Ba-doped cobalt perovskites by neutron diffraction (United States)

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


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

  8. High pressure and microwave based synthesis of transition metal pnictides

    Energy Technology Data Exchange (ETDEWEB)

    Pobel, Roman Rupert


    The goal of this thesis was to explore the possibilities of synthetic methods that are not very common in current transition metal pnictide research. The substitution of the Ca-site in CaFe{sub 2}As{sub 2} with rare earth elements such as Pr the has been reported to induce superconductivity. However, some inconsistencies in the data suggested a non-intrinsic origin of the observed diamagnetic signal. Furthermore a solubility limit of 13% was found when prepared in an electrical furnace thus leaving a huge part of the physical phase diagram inaccessible. A high pressure/high temperature synthesis was developed to allow access to the whole doping range and an in-depth characterization of this compound was carried out. During the experiments concerning the high pressure synthesis of Ca{sub 1-x}Pr{sub x}Fe{sub 2}As{sub 2} the new ternary iron arsenide CaFe{sub 5}As{sub 3} was identified and classified as a member of the Ca{sub n(n+1)/2}(Fe{sub 1-x}M{sub x}){sub (2+3n)}M'{sub n(n-1)/2}As{sub (n+1)(n+2)/2} (n = 1-3; M =Nb, Pd, Pt; M' = □, Pd, Pt) family. The complete solid solution Ca{sub 1-x}Pr{sub x}Fe{sub 5}As{sub 3} (O ≤ x ≤ 1) was prepared and physically characterized. Furthermore, several useful techniques were developed to aid in future high pressure based investigations of transition metal pnictides. The second part of this thesis concerns a completely different, but equally promising synthetic approach. Microwave based synthesis is a well-established technique in many solution based fields, such as organic, medicinal or nano chemistry. For solid state and materials research several parameters and particularities have to be considered. But when successful, it allows for the reduction of reaction time by several orders of magnitude. It has very rarely been applied in the preparation of pnictides and on1y once in the context of pnictide superconductor research. The possibilities of this method were explored and employed in the preparation of several

  9. High Pressure Reduction of Selenite by Shewanella oneidensis MR-1 (United States)

    Picard, A.; Daniel, I.; Testemale, D.; Letard, I.; Bleuet, P.; Cardon, H.; Oger, P.


    High-pressure biotopes comprise cold deep-sea environments, hydrothermal vents, and deep subsurface or deep-sea sediments. The latter are less studied, due to the technical difficulties to sample at great depths without contamination. Nevertheless, microbial sulfate reduction and methanogenesis have been found to be spatially distributed in deep deep-sea sediments (1), and sulfate reduction has been shown to be actually more efficient under high hydrostatic pressure (HHP) in some sediments (2). Sulfate-reducing bacteria obtained from the Japan Sea are characterized by an increased sulfide production under pressure (3,4). Unfortunately, investigations of microbial metabolic activity as a function of pressure are extremely scarce due to the experimental difficulty of such measurements at high hydrostatic pressure. We were able to measure the reduction of selenite Se(IV) by Shewanella oneidensis MR-1 as a function of pressure, to 150 MPa using two different high-pressure reactors that allow in situ X-ray spectroscopy measurements on a synchrotron source. A first series of measurements was carried out in a low-pressure Diamond Anvil Cell (DAC) of our own design (5) at ID22 beamline at ESRF (European Synchrotron Radiation Facility); a second one was performed in an autoclave (6) at the BM30B beamline at ESRF. Selenite reduction by strain MR-17 was monitored from ambient pressure to 150 MPa over 25 hours at 30 deg C by XANES spectroscopy (X-ray Analysis of Near Edge Structure). Spectra were recorded hourly in order to quantify the evolution of the oxidation state of selenium with time. Stationary-phase bacteria were inoculated at a high concentration into fresh growth medium containing 5 or 10 M of sodium selenite and 20 mM sodium lactate. Kinetic parameters of the Se (IV) reduction by Shewanella oneidensis strain MR-1 could be extracted from the data, as a function of pressure. They show 1) that the rate constant k of the reaction is decreased by a half at high pressure

  10. Microstructural analysis of aluminum high pressure die castings (United States)

    David, Maria Diana

    Microstructural analysis of aluminum high pressure die castings (HPDC) is challenging and time consuming. Automating the stereology method is an efficient way in obtaining quantitative data; however, validating the accuracy of this technique can also pose some challenges. In this research, a semi-automated algorithm to quantify microstructural features in aluminum HPDC was developed. Analysis was done near the casting surface where it exhibited fine microstructure. Optical and Secondary electron (SE) and backscatter electron (BSE) SEM images were taken to characterize the features in the casting. Image processing steps applied on SEM and optical micrographs included median and range filters, dilation, erosion, and a hole-closing function. Measurements were done on different image pixel resolutions that ranged from 3 to 35 pixel/μm. Pixel resolutions below 6 px/μm were too low for the algorithm to distinguish the phases from each other. At resolutions higher than 6 px/μm, the volume fraction of primary α-Al and the line intercept count curves plateaued. Within this range, comparable results were obtained validating the assumption that there is a range of image pixel resolution relative to the size of the casting features at which stereology measurements become independent of the image resolution. Volume fraction within this curve plateau was consistent with the manual measurements while the line intercept count was significantly higher using the computerized technique for all resolutions. This was attributed to the ragged edges of some primary α-Al; hence, the algorithm still needs some improvements. Further validation of the code using other castings or alloys with known phase amount and size may also be beneficial.

  11. High pressure sample cell for total internal reflection fluorescence spectroscopy at pressures up to 2500 bar (United States)

    Koo, Juny; Czeslik, Claus


    Total internal reflection fluorescence (TIRF) spectroscopy is a surface sensitive technique that is widely used to characterize the structure and dynamics of molecules at planar liquid-solid interfaces. In particular, biomolecular systems, such as protein adsorbates and lipid membranes can easily be studied by TIRF spectroscopy. Applying pressure to molecular systems offers access to all kinds of volume changes occurring during assembly of molecules, phase transitions, and chemical reactions. So far, most of these volume changes have been characterized in bulk solution, only. Here, we describe the design and performance of a high pressure sample cell that allows for TIRF spectroscopy under high pressures up to 2500 bar (2.5 × 108 Pa), in order to expand the understanding of volume effects from the bulk phase to liquid-solid interfaces. The new sample cell is based on a cylindrical body made of Nimonic 90 alloy and incorporates a pressure transmitting sample cuvette. This cuvette is composed of a fused silica prism and a flexible rubber gasket. It contains the sample solution and ensures a complete separation of the sample from the liquid pressure medium. The sample solution is in contact with the inner wall of the prism forming the interface under study, where fluorescent molecules are immobilized. In this way, the new high pressure TIRF sample cell is very useful for studying any biomolecular layer that can be deposited at a planar water-silica interface. As examples, high pressure TIRF data of adsorbed lysozyme and two phospholipid membranes are presented.

  12. Report of National Research Institute for Pollution and Resources for fiscal 1979. Research on conversion of coal to petroleum, research on coal liquefaction, high pressure liquid phase hydrogenation of coal by continuous test equipment, and manufacture of coal chemicals; 1979 nendo sekitan no yuka no kenkyu / sekitan no ekika no kenkyu / renzoku shiken sochi ni yoru sekitan no koatsu ekiso suisoka bunkai / coal chemicals no seizo

    Energy Technology Data Exchange (ETDEWEB)



    Research was conducted on conversion of coal to petroleum for the purpose of securing substitute liquid fuel. Recovery of hydrogen from the waste gas from the conversion process was explained, as were the conversion results from various coals produced in Japan. In coal liquefaction researches with the aim of manufacturing artificial petroleum, a report was made on each of the researches, i.e., the experiment results of coal liquefaction using various catalysts, manufacture of hydrogen by water gas reaction, catalytic action against coal paste, action of mixed oil and pressure against coal paste, result of hydrogen adding test for coal paste using an intermediate scale device, test result of secondary hydrogen addition for coal liquefied oil, and the test result of continuous secondary hydrogen addition for the liquefied oil. In the manufacture of fuel oil by hydro-cracking of coal or tar, a report was made on high pressure liquid phase hydrogenation of coal using a continuous testing device. Aromatic chemicals useful as chemical materials are supposed to be obtained by cutting inter-polymerized-unit bonding to make low molecules from the chemical structure of coal, removing surrounding radicals and simplifying it. A report was also made on the experiment of manufacturing coal chemicals by combination of high pressure liquid phase hydrogenation and hydro-dealkylation. (NEDO)

  13. Enhancing the electrochemical performance of Li-rich layered oxide Li1.13Ni0.3Mn0.57O2 via WO3 doping and accompanying spontaneous surface phase formation (United States)

    Huang, Jiajia; Liu, Haodong; Hu, Tao; Meng, Ying Shirley; Luo, Jian


    WO3 doping and accompanying spontaneous formation of a surface phase can substantially improve the discharge capacity, rate capability, and cycling stability of Co-free Li-rich layered oxide Li1.13Ni0.3Mn0.57O2 cathode material. X-ray photoelectron spectroscopy, in conjunction with ion sputtering, shows that W segregates to the particle surfaces, decreases the surface Ni/Mn ratio, and changes the surface valence state. High-resolution transmission electron microscopy further suggests that W segregation increases surface structural disorder. The spontaneous and simultaneous changes in the surface structure, composition, and valence state represent the formation of a surface phase (complexion) as the preferred surface thermodynamic state. Consequently, the averaged discharge capacity is increased by ∼13% from 251 to 284 mAh g-1 at a low rate of C/20 and by ∼200% from 30 to 90 mAh g-1 at a high rate of 40C, in comparison with an undoped specimen processed under identical conditions. Moreover, after 100 cycles at a charge/discharge rate of 1C, the WO3 doped specimen retained a discharge capacity of 188 mAh g-1, being 27% higher than that of the undoped specimen. In a broader context, this work exemplifies an opportunity of utilizing spontaneously-formed surface phases as a scalable and cost-effective method to improve materials properties.

  14. The high pressure gas Cerenkov counter at the Omega Facility.

    CERN Multimedia


    The high-pressure gas Cerenkov was used to measure reactions as pion (or kaon)- hydrogen --> forward proton - X. It was built by the Ecole Polytechnique (Palaiseu). Here Peter Sonderegger and Patrick Fleury,

  15. Beam steering effects in turbulent high pressure flames

    Energy Technology Data Exchange (ETDEWEB)

    Hemmerling, B.; Kaeppeli, B. [Paul Scherrer Inst. (PSI), Villigen (Switzerland)


    The propagation of a laser beam through a flame is influenced by variations of the optical density. Especially in turbulent high pressure flames this may seriously limit the use of laser diagnostic methods. (author) 1 fig., 2 refs.

  16. Novel High Pressure Pump-on-a-Chip Technology Project (United States)

    National Aeronautics and Space Administration — HJ Science & Technology, Inc proposes to develop a novel high pressure "pump-on-a-chip" and "valve-on-a-chip" microfluidic technology for NASA planetary science...

  17. Monitoring protein folding through high pressure NMR spectroscopy. (United States)

    Roche, Julien; Royer, Catherine A; Roumestand, Christian


    High-pressure is a well-known perturbation method used to destabilize globular proteins. It is perfectly reversible, which is essential for a proper thermodynamic characterization of a protein equilibrium. In contrast to other perturbation methods such as heat or chemical denaturant that destabilize protein structures uniformly, pressure exerts local effects on regions or domains of a protein containing internal cavities. When combined with NMR spectroscopy, hydrostatic pressure offers the possibility to monitor at a residue level the structural transitions occurring upon unfolding and to determine the kinetic properties of the process. High-pressure NMR experiments can now be routinely performed, owing to the recent development of commercially available high-pressure sample cells. This review summarizes recent advances and some future directions of high-pressure NMR techniques for the characterization at atomic resolution of the energy landscape of protein folding. Copyright © 2017 Elsevier B.V. All rights reserved.

  18. The Working Principle and Use of High Pressures in the Food Industry

    Directory of Open Access Journals (Sweden)

    Karlović, S.


    Full Text Available High pressure in the food industry, as a new non-thermal method, is applied in many phases of food processing. This new non-thermal technology was developed in the 1990s. The main advantages of high-pressure processing are in the short time of processing which is between a few seconds and 30 minutes. Processing of solid or liquid food products with or without packaginghappens in the temperature interval 5 – 90 °C, and pressures 50 – 1000 MPa. The driving pressure is distributed uniformly through the whole product independently of its quantity and shape. These processing characteristics combined with improved food microbiological safety, less energy expenditure, low concentration of waste products and longer shelf life make high-pressure processing a very promising novel food technology. Combined with lower cost of treatment (but unfortunately higher initial cost of equipment compared to traditional processing technologies, it is also economically profitable. The main purpose of such treated food products are in preservation of sensory, nutritive and textural properties. As the temperature increase is very low, there are no significant changes in sensory properties, in contrast to conventional thermal processing (sterilization, pasteurization. However, with the combination of heating or cooling and high pressure, modification of existing and creation of new food products is possible. Today, high pressure is used for the treatment of meat products (inactivation of microorganisms, freezing and defrosting of foodstuffs, production of fruit juices (pasteurization, processing of oysters, modificationof milk characteristics (foaming etc. The main purpose of this work is to present the working principle and application of high pressure in the food industry.

  19. Water-bearing, high-pressure Ca-silicates (United States)

    Németh, Péter; Leinenweber, Kurt; Ohfuji, Hiroaki; Groy, Thomas; Domanik, Kenneth J.; Kovács, István J.; Kovács, Judit S.; Buseck, Peter R.


    Water-bearing minerals provide fundamental knowledge regarding the water budget of the mantle and are geophysically significant through their influence on the rheological and seismic properties of Earth's interior. Here we investigate the CaO-SiO2-H2O system at 17 GPa and 1773 K, corresponding to mantle transition-zone condition, report new high-pressure (HP) water-bearing Ca-silicates and reveal the structural complexity of these phases. We document the HP polymorph of hartrurite (Ca3SiO5), post-hartrurite, which is tetragonal with space group P4/ncc, a = 6.820 (5), c = 10.243 (8) Å, V = 476.4 (8) Å3, and Z = 4, and is isostructural with Sr3SiO5. Post-hartrurite occurs in hydrous and anhydrous forms and coexists with larnite (Ca2SiO4), which we find also has a hydrous counterpart. Si is 4-coordinated in both post-hartrurite and larnite. In their hydrous forms, H substitutes for Si (4H for each Si; hydrogrossular substitution). Fourier transform infrared (FTIR) spectroscopy shows broad hydroxyl absorption bands at ∼3550 cm-1 and at 3500-3550 cm-1 for hydrous post-hartrurite and hydrous larnite, respectively. Hydrous post-hartrurite has a defect composition of Ca2.663Si0.826O5H1.370 (5.84 weight % H2O) according to electron-probe microanalysis (EPMA), and the Si deficiency relative to Ca is also observed in the single-crystal data. Hydrous larnite has average composition of Ca1.924Si0.851O4H0.748 (4.06 weight % H2O) according to EPMA, and it is in agreement with the Si occupancy obtained using X-ray data collected on a single crystal. Superlattice reflections occur in electron-diffraction patterns of the hydrous larnite and could indicate crystallographic ordering of the hydroxyl groups and their associated cation defects. Although textural and EPMA-based compositional evidence suggests that hydrous perovskite may occur in high-Ca-containing (or low silica-activity) systems, the FTIR measurement does not show a well-defined hydroxyl absorption band for this

  20. A high-pressure MWPC detector for crystallography

    DEFF Research Database (Denmark)

    Ortuno-Prados, F.; Bazzano, A.; Berry, A.


    The application of the Multi-Wire Proportional Counter (MWPC) as a potential detector for protein crystallography and other wide-angle diffraction experiments is presented. Electrostatic problems found with our large area MWPC when operated at high pressure are discussed. We suggest that a soluti...... to these problems is to use a glass micro-strip detector in place of the wire frames. The characteristics of a high-pressure Micro-Strip Gas Chamber (MSGC) tested in the laboratory are presented....

  1. High-pressure crystallography of periodic and aperiodic crystals

    Directory of Open Access Journals (Sweden)

    Clivia Hejny


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

  2. Neutron and high-pressure X-ray diffraction study of hydrogen-bonded ferroelectric rubidium hydrogen sulfate. (United States)

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


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

  3. Melting in the Fe-Si System at High Pressures (United States)

    Campbell, A. J.; Fischer, R. A.; Reaman, D. M.; Prakapenka, V.; Dera, P. K.


    The density of Earth's core is less dense than that of pure iron, indicating the presence of a light element component that not only reduces the density of the outer core but lowers its melting point as well. Among the most likely candidates for this light element component are Si, S, C, and O; it is important to know the high-pressure, high-temperature properties of iron alloyed with these elements to understand the nature of Earth's core. Here we report on melting experiments in the Fe-Si system to pressures reaching those in the outermost core. Synchrotron X-ray diffraction experiments were performed on laser-heated diamond anvil cell samples at beamline 13-ID-D of the Advanced Photon Source. Temperatures were measured spectroradiometrically, and melting was determined by the appearance and disappearance of diffuse scattering from the melt during heating and cooling cycles. Two compositions, Fe-9Si and Fe-16Si, were studied. Our results are compatible with recent studies [1,2] on similar compositions but lower pressures. At 137 GPa we bracket the melting temperature of Fe-16Si between 3530 and 3800 K; accordingly, 3520 K is a minimum temperature for the outermost core if it were to consist exclusively of Fe-Si alloy. At these pressures the stable solid phase assemblage for Fe-16Si is a mixture of Fe-rich hcp alloy and a more Si-rich alloy with the B2 structure (Fischer et al., this volume [3]). We observe that the hcp phase disappears while the B2 phase persists at the 138 GPa melting point, implying that the Fe-Si eutectic composition at that pressure lies below 16 wt% Si. By comparison, the maximum Si content of a Fe-Si core is 12 wt%, based on comparison of recent equation of state measurements of Fe-Si alloy [3] with a seismological model of the Earth. [1] Morard et al., PCM 2011. [2] Asanuma et al., PCM 2010. [3] Fischer et al., Fall AGU 2011.

  4. Unexpectedly high pressure for molecular dissociation in liquid hydrogen by electronic simulation. (United States)

    Mazzola, Guglielmo; Yunoki, Seiji; Sorella, Sandro


    The study of the high pressure phase diagram of hydrogen has continued with renewed effort for about one century as it remains a fundamental challenge for experimental and theoretical techniques. Here we employ an efficient molecular dynamics based on the quantum Monte Carlo method, which can describe accurately the electronic correlation and treat a large number of hydrogen atoms, allowing a realistic and reliable prediction of thermodynamic properties. We find that the molecular liquid phase is unexpectedly stable, and the transition towards a fully atomic liquid phase occurs at much higher pressure than previously believed. The old standing problem of low-temperature atomization is, therefore, still far from experimental reach.

  5. High-pressure synthesis and structural behavior of sodium orthonitrate Na 3NO 4 (United States)

    Quesada Cabrera, R.; Sella, A.; Bailey, E.; Leynaud, O.; McMillan, P. F.


    Sodium orthonitrate (Na 3NO 4) is an unusual phase containing the first example of isolated tetrahedrally bonded NO 43- groups. This compound was obtained originally by heating together mixtures of Na 2O and NaNO 3 for periods extending up to >14 days in evacuated chambers. Considering the negative volume change between reactants and products, it was inferred that a high-pressure synthesis route might favor the formation of the Na 3NO 4 compound. We found that the recovered sample is likely to be a high-pressure polymorph, containing NO 43- groups as evidenced by Raman spectroscopy. The high-pressure behavior of Na 3NO 4 was studied using Raman spectroscopy and synchrotron X-ray diffraction in a diamond anvil cell above 60 GPa. We found no evidence for major structural transformations, even following laser heating experiments carried out at high pressure, although broadening of the Raman peaks could indicate the onset of disordering at higher pressure.

  6. Electrical resistivity of CeTIn{sub 5} (T=Rh, Ir) under high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Muramatsu, Takaki; Kobayashi, Tatsuo C.; Shimizu, Katsuya; Amaya, Kiichi; Aoki, Dai; Haga, Yoshinori; Onuki, Yoshichika


    We have studied the superconducting properties of CeTIn{sub 5} (T=Rh, Ir) under high pressures by means of electrical resistivity measurements and determined the pressure-temperature phase diagrams for the superconducting transition. For both systems, the superconductivity exists in a wide pressure range, 1.5{<=}P{<=}6.5 GPa for CeRhIn{sub 5} and 0{<=}P{<=}5.2 GPa for CeIrIn{sub 5}.

  7. High-pressure minerals in shocked L6-chondrites: constraints on impact conditions (United States)

    Ohtani, E.; Kimura, Y.; Kimura, M.; Kubo, T.; Takata, T.


    We have studied the high-pressure phases observed in Yamato 791384 and ALH78003 L6-chondrites. Host meteorite consists mainly of olivine, pyroxenes, and plagioclase glass. Mineral fragments observed in the veins and the vein margin region of these meteorites were partially or totally transformed into high-pressure phases wadsleyite, ringwoodite, majorite, akimotoite, NaAlSi3O8 hollandite and jadeite. Whereas matrix of the shock vein contains majorite-pyrope solid solution in both meteorites. The spatial distribution indicates that high-pressure phases are present in the shock veins and host rocks adjacent to the shock veins. Investigation of the high-pressure phases revealed that, in Y791384, fragments and adjacent matrix were subjected to pressures around 18 23 GPa and the vein experienced temperatures around 2,000 2,300°C during the shock event. ALH78003 experienced the shock pressure of about 15 18 GPa at 2,000°C. Ringwoodite lamellae were observed in the host olivine adjacent to the vein in Y791384. Kinetic investigation for ringwoodite lamellar growth in olivine indicates that the meteorite experienced an impact with a pressure around 20 GPa for more than 4 s of the pressure pulse indicating a large impactor with the size greater than 10 km. ALH78003 contains wadsleyite ringwoodite aggregates in the shock veins. The ringwoodite grains have wadsleyite rim enriched in Mg2SiO4 component. The compositional profiles of wadsleyite rim and ringwoodite core of the fragments in the shock veins in ALH78003 cannot be explained by a simple Mg Fe inter-diffusion process.

  8. Metallization and softening of B{sub 6}O at high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Yuehui [Institute of Physics and Chemistry, HNUST, Qinhuangdao, Hebei 066600 (China); Wang, Yachun; Yao, Tiankai; Li, Hui; Wu, Lailei; Yang, Meng [Key Laboratory of Metastable Materials Science and Technology, College of Material Science and Engineering, Yanshan University, Qinhuangdao 066004 (China); Zhang, Jingwu, E-mail: [Key Laboratory of Metastable Materials Science and Technology, College of Material Science and Engineering, Yanshan University, Qinhuangdao 066004 (China); Gou, Huiyang, E-mail: [Key Laboratory of Metastable Materials Science and Technology, College of Material Science and Engineering, Yanshan University, Qinhuangdao 066004 (China)


    Highlights: • Structural searching identified a high-pressure phase for B{sub 6}O with monoclinic Cc structure. • Cc structure B{sub 6}O is mechanically and dynamically stable. • Cc phase characterizes in pentagonal pyramids and zig-zag O–B1–O chains. • Cc phase shows metallization and softened hardness as compared to zero-pressure structure. - Abstract: Structural stability, elastic and electronic properties of boron suboxide, B{sub 6}O, up to 300 GPa were investigated by first-principles calculations. Structural searching and enthalpy differences calculations identify a high-pressure phase for B{sub 6}O with monoclinic Cc structure (denoted as β-B{sub 6}O), which is energetically preferable to the known R-3 m-type phase above 245 GPa. β-B{sub 6}O phase forms a three-dimensional covalent network mainly composed of pentagonal pyramids and zig-zag O–B1–O chains extended along c-direction. β-B{sub 6}O phase is found to be stable examined by the calculated elastic constants and phonon dispersion and exhibits metallic behavior and greater elastic and hardness anisotropy, totally different from the semiconducting character and relative isotropy of ground state structure. Moreover, β-B{sub 6}O is predicted to soften significantly with a Vicker’s hardness of about 20.7 GPa.

  9. Underground storage systems for high-pressure air and gases (United States)

    Beam, B. H.; Giovannetti, A.


    This paper is a discussion of the safety and cost of underground high-pressure air and gas storage systems based on recent experience with a high-pressure air system installed at Moffett Field, California. The system described used threaded and coupled oil well casings installed vertically to a depth of 1200 ft. Maximum pressure was 3000 psi and capacity was 500,000 lb of air. A failure mode analysis is presented, and it is shown that underground storage offers advantages in avoiding catastrophic consequences from pressure vessel failure. Certain problems such as corrosion, fatigue, and electrolysis are discussed in terms of the economic life of such vessels. A cost analysis shows that where favorable drilling conditions exist, the cost of underground high-pressure storage is approximately one-quarter that of equivalent aboveground storage.

  10. High pressure common rail injection system modeling and control. (United States)

    Wang, H P; Zheng, D; Tian, Y


    In this paper modeling and common-rail pressure control of high pressure common rail injection system (HPCRIS) is presented. The proposed mathematical model of high pressure common rail injection system which contains three sub-systems: high pressure pump sub-model, common rail sub-model and injector sub-model is a relative complicated nonlinear system. The mathematical model is validated by the software Matlab and a virtual detailed simulation environment. For the considered HPCRIS, an effective model free controller which is called Extended State Observer - based intelligent Proportional Integral (ESO-based iPI) controller is designed. And this proposed method is composed mainly of the referred ESO observer, and a time delay estimation based iPI controller. Finally, to demonstrate the performances of the proposed controller, the proposed ESO-based iPI controller is compared with a conventional PID controller and ADRC. Copyright © 2016 ISA. Published by Elsevier Ltd. All rights reserved.

  11. High Pressure Processing Technology and Equipment Evolution: A Review

    Directory of Open Access Journals (Sweden)

    Wael M. Elamin


    Full Text Available High pressure processing (HPP is an interesting non-thermal technology that involves the sterilization of food by the mean of ultra-high pressures, which lead to extending the shelf life of processed food, as well as maintaining nutritional value and quality of food products. The consumers’ increasing demand for this new products graped the interest of several already-existing high pressure equipment manufacturers around the globe. The successful of this technology encouraged them to enter the field of food processing and adjust their existing technologies to adapt to the new process. This review spots the major discoveries in HPP equipment history, describes the current applications of HHP in processing and provides comprehensive information about HPP equipment technology used in commercial and research applications. In addition, this paper presents the major manufacturers in HPP equipment industry around the world.

  12. The value of high-pressure hysterosalpingography with new cannula. (United States)

    Totani, R


    To achieve maximum dilatation of the Fallopian tubes so as to improve the pregnancy: non-pregnancy ratio of hysterosalpingography (HSG) treatment, a high-pressure injection technique was evaluated. For this purpose a disposable cannula and an adapted pair of tenacula were developed and a remote-control procedure using an auto-injector and an adapted pressure recorder was used to assure the safety of doctors and staff. 1780 cases who underwent 400 mmHg high-pressure HSG treatment were compared with 903 conventional HSG cases. Results indicated a higher pregnancy ratio for the high-pressure experimental group after treatment. In addition, it was found that side effects due to the use of disposable cannula and highly viscous water-soluble mediums developed for use in angiography were less common than for conventional materials.

  13. Ultra-high pressure water jet: Baseline report; Greenbook (chapter)

    Energy Technology Data Exchange (ETDEWEB)



    The ultra-high pressure waterjet technology was being evaluated at Florida International University (FIU) as a baseline technology. In conjunction with FIU`s evaluation of efficiency and cost, this report covers the evaluation conducted for safety and health issues. It is a commercially available technology and has been used for various projects at locations throughout the country. The ultra-high pressure waterjet technology acts as a cutting tool for the removal of surface substrates. The Husky{trademark} pump feeds water to a lance that directs the high pressure water at the surface to be removed. The technologies being tested for concrete decontamination are targeted for alpha contamination. The safety and health evaluation during the human factors assessment focused on two main areas: noise and dust.

  14. Confinement of hydrogen at high pressure in carbon nanotubes (United States)

    Lassila, David H [Aptos, CA; Bonner, Brian P [Livermore, CA


    A high pressure hydrogen confinement apparatus according to one embodiment includes carbon nanotubes capped at one or both ends thereof with a hydrogen-permeable membrane to enable the high pressure confinement of hydrogen and release of the hydrogen therethrough. A hydrogen confinement apparatus according to another embodiment includes an array of multi-walled carbon nanotubes each having first and second ends, the second ends being capped with palladium (Pd) to enable the high pressure confinement of hydrogen and release of the hydrogen therethrough as a function of palladium temperature, wherein the array of carbon nanotubes is capable of storing hydrogen gas at a pressure of at least 1 GPa for greater than 24 hours. Additional apparatuses and methods are also presented.

  15. High-pressure injection injuries of the hand. (United States)

    Pai, C H; Wei, D C; Hou, S P


    The majority of high-pressure injection injuries can produce serious damage to the hand. Nevertheless, the injury may follow a relatively benign course if the injected substance possesses a less harmful nature. Treatment for these injuries requires immediate and aggressive surgery in most circumstances, but conservative treatment may be justified in certain instances. During a 4-year period, eight cases of high-pressure injection injury were encountered. The types of injected material were: four from paint, and one each from grease, water, benzene, and hydraulic oil. Time is an important factor regarding the results, while the types of injected material modify the clinical courses. It is advisable that the etiology of high-pressure injection injury should be established initially, and this factor be taken into consideration in choosing treatment options.

  16. Experiment on wear behavior of high pressure gas seal faces (United States)

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


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

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

    DEFF Research Database (Denmark)

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


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

  18. Survey of High-Pressure Effects in Solids. (United States)


    Roe Nmiw 10M Finad Repas Contrat No. MDA97C-0U5 a neuabyDeftn Mdwa esch P r* Ape Arlington, Virginb 22209 The vie wW cn oncluions cotIn i kl dosmnut...the Gordon-Kim-Boyer scheme with our suggested modifications ; use of the exchange-correlation potential in the local-density approximation i such an...limitations at very high pressures. One modification that becomes necessary at high pressures is not to first determine the two-body interatomic

  19. Effects of High Pressure on Membrane Ion Binding and Transport. (United States)


    AD-AI16 015 CALIFORNIA UNIV BERKELEY DEPT OF PHYSIOLOGY- ANATOMY FIG 6/16 EFFECTS OF HIGH PRESSURE ON MEMBRANE ION BINDING AND TRANSPORT.(U) DEC 80 R...ION BIND.NG AID TPANSPOFT (N)014-7 1-C-0482) 1Fobert I. 1.. cey, Ph.D. a v] Da iel M. F zan, Ph.D. Department of Ph ,sioloy- Anatomy unriveorsity o...given to Tra"uble’s theory . C. Develonrment of a High Pressure Zton-Flow Realization of the goals outlined in this project lenends on the availa- bility

  20. Novel High Pressure Multi-Component Diffusion Cell


    Elma, Muthia; Massarotto, Paul; Rudolph, Victor


    A novel high pressure multi-component diffusion cell (HPMCDC) apparatus has been designed and built to measure single and binary gas diffusion, including co-current and counter-diffusion, from low to high pressures. The apparatus incorporates capability to investigate scale effects in solid coal specimens, up to 25 mm in diameter and 25 mm in thickness. Future experiments will be conducted to measure diffusion and counter-diffusion of CH4 and CO2 gases in solid coal, at various temperatures, ...

  1. Controllable synthesis of fullerene nano/microcrystals and their structural transformation induced by high pressure (United States)

    Yao, Ming-Guang; Du, Ming-Run; Liu, Bing-Bing


    Fullerene molecules are interesting materials because of their unique structures and properties in mechanical, electrical, magnetic, and optical aspects. Current research is focusing on the construction of well-defined fullerene nano/microcrystals that possess desirable structures and morphologies. Further tuning the intermolecular interaction of the fullerene nano/microcrystals by use of pressure is an efficient way to modify their structures and properties, such as creation of nanoscale polymer structures and new hybrid materials, which expands the potential of such nanoscale materials for direct device components. In this paper, we review our recent progress in the construction of fullerene nanostructures and their structural transformation induced by high pressure. Fullerene nano/microcrystals with controllable size, morphology and structure have been synthesized through the self-assembly of fullerene molecules by a solvent-assisted method. By virtue of high pressure, the structures, components, and intermolecular interactions of the assemblied fullerene nano/microcrystals can be finely tuned, thereby modifying the optical and electronic properties of the nanostructures. Several examples on high pressure induced novel structural phase transition in typical fullerene nanocrystals with C60 or C70 cage serving as building blocks are presented, including high pressure induced amorphization of the nanocrystals and their bulk moduli, high pressure and high temperature (HPHT) induced polymerization in C60 nanocrystals, pressure tuned reversible polymerization in ferrocene-doped C60/C70 single crystal, as well as unique long-range ordered crystal with amorphous nanoclusters serving as building blocks in solvated C60 crystals, which brings new physical insight into the understanding of order and disorder concept and new approaches to the design of superhard carbon materials. The nanosize and morphology effects on the transformations of fullerene nanocrystals have also

  2. High-Pressure Minerals in Meteorites: Constraints on Shock Conditions and Duration (United States)

    Sharp, Thomas G.


    The objective of this research was to better understand the conditions and duration of shock metamorphism in meteorites through microstructural and microanalytical characterization of high-pressure minerals. A) Continue to investigate the mineralogy and microstructures of melt-veins in a suite of chondritic samples ranging from shock grades S3 through S6 to determine how the mineral assemblages that crystallize at high-pressure and are related to shock grade. B) Investigate the chemical, mineralogical, and microstructural heterogeneities that occur across melt veins to interpret crystallization histories. C) Use static high-pressure experiments to simulate crystallization of melt veins for mineralogical and textural comparisons with the melt veins of naturally shocked samples. D) Characterize the compositions and defect microstructures of polycrystalline ringwoodite, wadsleyite, majorite, (Mg,Fe)Si03-ilmenite and (Mg,Fe)SiO3-perovskite in S6 samples to understand the mechanisms of phase transformations that occur during shock. These results will combined with kinetic data to constrain the time scales of kinetic processes. E) Investigate the transformations of metastable high-pressure minerals back to low- pressure forms to constrain post-shock temperatures and estimates of the peak shock pressure. Of these objectives, we have obtained publishable data on A, B and D. I am currently doing difficult high-pressure melting and quench experiments on an L chondrite known as Mbale. These experiments will provide additional constraints on the mineral assemblages that are produced during rapid quench of an L chondrite at pressures of 16 to 25 GPa. Results from published or nearly published research is presented below. Lists of theses, dissertations and publications are given below.

  3. Equilibrium Iron Isotope Fractionation at Ultra-High Pressures: Focus on Mantle-Core Differentiation. (Invited) (United States)

    Polyakov, V. B.


    Iron isotope fractionation studies provide an insight into chemical and phase transformations accompanying high-pressure core-mantle differentiation processes in planetary interiors. A method for determination of equilibrium iron isotope fractionation factors (β-factors) at wide range of pressures (up to ~ 150 GPa) was recently established (Polyakov et al., 2005, 2007; Polyakov 2009). The method consists in obtaining 57Fe partial vibration densities of states (PVDOS) at different pressures from synchrotron inelastic nuclear resonance x-ray scattering (INRXS) experiments followed by calculations of iron β-factors from the 57Fe PVDOS. Using INRXS-derived 57Fe PVDOS of Fe-metal (Mao et al., 2001), ferropericlase (FeP) (Lin et al., 2006), and postperovskite (PPV) (Mao et al., 2006), it was shown (Polyakov, 2009) that at high pressures FeP and PPV are enriched in heavy iron isotopes relative to Fe-metal contrary to the low-pressure iron isotope fractionation regularity. Earth's core may contain also Ni, Si, S, H, C, etc. along with iron. I estimated effect of these elements on iron β-factors using INRXS-derived 57Fe PVDOS for Fe0.92Ni0.08 and Fe0.85Si0.15 (Lin et al., 2003), FeS (Kobayashi et al., 2004), Fe3S (Lin et al., 2004), FeHx (Mao et al., 2004), Fe3C (Gao et al., 2008). Additions of Ni and Si to Fe-metal do not affect the iron β-factor contrary to additions of S, H, and C (see figure), which reduce the iron β-factors and aid in heavy iron isotope enrichment of silicate fraction during metal-silicate differentiation. This consits with the explanation of the observed enrichment (~ 0.1‰ for 57Fe/54Fe) of Earth's basalts in heavy isotopes with respect to those from Vesta and Mars (Poitrasson et al., 2004; Weyer et al., 2005; Shoenberg and von Blanckenburg, 2006) in terms of the equilibrium iron isotope fractionation during core-mantle differentiation processes as proposed in Polyakov (2009). Figure. Pressure dependence of 57Fe/54Fe β-factors. Open circles

  4. First-principles study of the elastic and thermodynamic properties of thorium hydrides at high pressure (United States)

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


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

  5. Mg-Al-RE Magnesium Alloys for High-Pressure Die-Casting

    Directory of Open Access Journals (Sweden)

    Braszczyńska-Malik K.N.


    Full Text Available Experimental Mg-Al-RE type magnesium alloys for high-pressure die-casting are presented. Alloys based on the commercial AM50 magnesium alloy with 1, 3 and 5 mass % of rare earth elements were fabricated in a foundry and cast in cold chamber die-casting machines. The obtained experimental casts have good quality surfaces and microstructure consisting of an α(Mg-phase, Al11RE3, Al10RE2Mn7 intermetallic compound and small amount of α+γ eutectic and Al2RE phases.

  6. High pressure behavior of ZrW2O8: Gruneisen parameter and thermal properties (United States)

    Ravindran; Arora; Mary


    High pressure Raman spectroscopic studies are carried out on negative thermal expansion material ZrW2O8. The system exhibits amorphization at 2.2+/-0.3 GPa via an intermediate orthorhombic phase. In the cubic phase most modes below 50 meV are found to have negative Gruneisen parameter. Using the reported phonon density of states thermal properties are calculated and compared with the reported results. In contrast to the earlier belief, the present results show that modes of energies much higher than 10 meV also contribute substantially to the negative thermal expansion.

  7. Hydrogen bonds and van der waals forces in ice at ambient and high pressures. (United States)

    Santra, Biswajit; Klimeš, Jiří; Alfè, Dario; Tkatchenko, Alexandre; Slater, Ben; Michaelides, Angelos; Car, Roberto; Scheffler, Matthias


    The first principles methods, density-functional theory and quantum Monte Carlo, have been used to examine the balance between van der Waals (vdW) forces and hydrogen bonding in ambient and high-pressure phases of ice. At higher pressure, the contribution to the lattice energy from vdW increases and that from hydrogen bonding decreases, leading vdW to have a substantial effect on the transition pressures between the crystalline ice phases. An important consequence, likely to be of relevance to molecular crystals in general, is that transition pressures obtained from density-functional theory exchange-correlation functionals which neglect vdW forces are greatly overestimated.

  8. Ultra-high pressure water jet: Baseline report

    Energy Technology Data Exchange (ETDEWEB)



    The ultra-high pressure waterjet technology was being evaluated at Florida International University (FIU) as a baseline technology. In conjunction with FIU`s evaluation of efficiency and cost, this report covers the evaluation conducted for safety and health issues. It is a commercially available technology and has been used for various projects at locations throughout the country. The ultra-high pressure waterjet technology acts as a cutting tool for the removal of surface substrates. The Husky{trademark} pump feeds water to a lance that directs the high pressure water at the surface to be removed. The safety and health evaluation during the testing demonstration focused on two main areas of exposure. These were dust and noise. The dust exposure was found to be minimal, which would be expected due to the wet environment inherent in the technology, but noise exposure was at a significant level. Further testing for noise is recommended because of the outdoor environment where the testing demonstration took place. In addition, other areas of concern found were arm-hand vibration, ergonomics, heat stress, tripping hazards, electrical hazards, lockout/tagout, fall hazards, slipping hazards, hazards associated with the high pressure water, and hazards associated with air pressure systems.

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

    Indian Academy of Sciences (India)

    dLaboratory for Shock Wave and Detonation Physics Research, Institute of Fluid Physics, Academy of Engineering. Physics, PO Box 919-102, Mianyang 621900, China. MS received 1 May 2011. Abstract. The structure, thermodynamic and elastic properties of magnesium silicate (MgSiO3) post-perovskite at high pressure ...

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

    African Journals Online (AJOL)

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

  11. Screening of hydrogen storage media applying high pressure thermogravimetry

    DEFF Research Database (Denmark)

    Bentzen, J.J.; Pedersen, Allan Schrøder; Kjøller, J.


    A number of commercially available hydride-forming alloys of the MmNi5–xSnx (Mm=mischmetal, a mixture of lanthanides) type were examined using a high pressure, high temperature microbalance,scanning electron microscopy and X-ray diffraction. Activation conditions, reversible storage capacity, wor...

  12. Pneumomediastinum following high pressure air injection to the hand.

    LENUS (Irish Health Repository)

    Kennedy, J


    We present the case of a patient who developed pneumomediastinum after high pressure air injection to the hand. To our knowledge this is the first reported case of pneumomediastinum where the gas injection site was the thenar eminence. Fortunately the patient recovered with conservative management.

  13. Pneumomediastinum following high pressure air injection to the hand.

    LENUS (Irish Health Repository)

    Kennedy, J


    We present the case of a patient who developed pneumomediastinum after high pressure air injection to the hand. To our knowledge this is the first reported case of pneumomediastinum where the gas injection site was the thenar eminence. Fortunately the patient recovered with conservative management.

  14. High pressure injection injuries: a serious occupational hazard. (United States)

    Mrvos, R; Dean, B S; Krenzelok, E P


    High pressure injection equipment such as airless paint sprayers, high pressure grease guns, and fuel injection apparatus constitute a serious safety hazard resulting in significant morbidity. These devices are capable of delivering contaminants such as paint, solvents, and grease at pressures ranging from 600-12,000 psi. This allows the substance to penetrate through a minute skin wound and to spread widely through fascial planes and tendon sheaths and to produce significant vascular compression and systemic toxicity. High pressure injection injuries frequently result in amputation. Fifty-five suspected high pressure injection injury cases were evaluated. Twenty were determined to be actual injection injuries from equipment producing pressures in the range of 1,500-12,000 psi. The injected contaminants included latex paint, mineral spirits, and concrete sealer. Fourteen injuries involved digits. Digital amputation was necessary in three patients. Hospital admissions averaged 6.5 days. Successful management of these cases involves awareness of the impending problem and rapid referral of the patient to an emergency department and to a competent orthopedic or plastic surgeon.

  15. Propane Oxidation at High Pressure and Intermediate Temperatures

    DEFF Research Database (Denmark)

    Hashemi, Hamid; Christensen, Jakob Munkholt; Glarborg, Peter

    Propane oxidation at intermediate temperatures (500—900 K) and high pressure (100 bar) has been characterized by conducting experiments in a laminar flow reactor over a wide range of stoichiometries. The onset of fuel oxidation was found to be 600—725 K, depending on mixture stoichiometry...

  16. High pressure gas laser technology for atmospheric remote sensing (United States)

    Javan, A.


    The development of a fixed frequency chirp-free and highly stable intense pulsed laser made for Doppler wind velocity measurements with accurate ranging is described. Energy extraction from a high pressure CO2 laser at a tunable single mode frequency is also examined.

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

    Indian Academy of Sciences (India)

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

  18. High-pressure applications in medicine and pharmacology (United States)

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


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

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

    NARCIS (Netherlands)

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

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

  20. Estimating Shock Pressures in Chondrites From High-Pressure Minerals in Shock-induced Melt Veins (United States)

    Xie, Z.; Sharp, T. G.


    High-pressure minerals are common in highly shocked (S6) L6 chondrites, occurring within or adjacent to shock-induced melt veins and melt pockets. They provide natural examples of high-pressure minerals that make up the Earth's transition zone (410 to 660 km depth) and lower mantle, as well as a record of high-pressure and temperature conditions during impact events on chondrite parent bodies. The high-pressure minerals that crystallize in melt veins and pockets can be used as an alternative means of investigating shock pressure. We used transmission electron microscopy (TEM) to characterize the shock-vein mineralogy in seven L6 chondrites ranging from shock stage S6 to S3: Tenham (S6), Umbarger (S6), Roy (S3-5), Ramsdorf (S4), Kunashak (S4), Nakhon Pathon (S4) and La Lande (S4). Tenham contains assemblages that reflect variable cooling rates during crystallization. Majorite plus magnesiow\\x81stite occur in the center of melt veins, whereas ringwoodite, akimotoite and round amorphous grains (probably vitrified MgSiO3-pervoskite) occur along melt-vein edges. In addition, a symplectitic intergrowth of majorite and an amorphous phase has been observed, which probably represents clinopyroxene that has disassociated into majorite plus CaSiO3-pervoskite. High pressure minerals in the Umbarger melt veins include: ringwoodite, akimotoite ((Mg,Fe)SiO3-ilmenite), augite, and hollandite-structured plagioclase. In addition, Fe2SiO4-spinel (new mineral) and stishovite occur in SiO2-FeO rich melt. High-pressure minerals in the Roy melt veins include ringwoodite and majorite. Melt veins in Ramsdorf, Kunashak, Nakhon Pathon and La lande contain fine-grained olivines and pyroxenes that are defect free and interpreted as having crystallized from the melt. Crystallization pressures can be inferred from the mineral assemblages in the melt veins and available phase equilibrium data. Melt veins in Tenham crystallized at pressure of approximately 25 GPa; Umbarger at pressure between 18

  1. High-pressure deformation and failure of polycrystalline ceramics (United States)

    Zhang, Dongmei


    High-strength polycrystalline ceramics are increasingly being used for armor applications because of their light weight and superior ballistic performance over conventional armor steels. However, accurate material modeling needed in ceramic armor design remains a challenge because of their complex behavior under impact loading. A ceramic may display extremely high strength during rapid compression but lose tensile strength when the load reverses from compression to tension. A good understanding of the mechanisms governing the deformation and failure of ceramics under high-stress impact and a capability to accurately predict the resulting effective strengths of both intact and damaged ceramics are critically needed. To this end, a computational methodology for micromechanical analysis of polycrystalline materials has been developed. It combines finite element analysis with microstructural modeling based on the Voronoi polycrystals, and material modeling that considers nonlinear elasticity, crystal plasticity, intergranular shear damage during compression and intergranular Mode-I cracking during tension. Using this method, simulations have been carried out on polycrystalline alpha-6H silicon carbide and alpha-phase aluminum oxide to determine if microplasticity is a viable mechanism of inelastic deformation in ceramics undergoing high-pressure uniaxial-strain compression. Further, the competing roles of in-grain microplasticity and intergranular microdamage during a sequence of dynamic compression and tension have been studied. The results show that microplasticity is a more plausible mechanism than microcracking under uniaxial-strain compression. The deformation by limited slip systems can be highly heterogeneous so that a significant amount of grains may remain elastic and thus result in high macroscopic compressive strength. On the other hand, the failure evolution during dynamic load reversal from compression to tension can be well predicted by intergranular Mode

  2. High pressure electrical conductivity in naturally occurring silicate liquids (United States)

    Tyburczy, James A.; Waff, Harve S.

    Electrical conductivities of molten Hawaiian rhyodacite and Yellowstone rhyolite obsidian were measured between 1200° C and 1400° C and at pressures up to 25 kilobars. The two melts exhibit similar trends. Arrhenius behavior is observed at all pressures studied. Isobaric activation enthalpies increase from about 0.5 eV at atmospheric pressure to about 0.9 eV at 25 kbars, and the magnitude of the conductivity decreases by about a factor of 4 between 0 and 25 kbar. At pressures between about 10 and 15 kbar an abrupt decrease in the slopes of isothermal log a versus pressure plots is observed. In each pressure range an equation of the form σ = σ'0 exp [- (E'σ + PΔV'σ)/kT], where σ'0, E'σ, and ΔV'σ, are constants, describes the polybaric, polythermal data. Comparison of these data with high pressure electrical conductivities of molten basalt and andesite reveals that relatively silica-rich melts, from andesitic to rhyolitic in composition, display similar trends, while the basaltic melt has analogous, but quantitatively different trends. Comparison of zero-pressure electrical conductivity and sodium diffusivity by means of the Nernst-Einstein relation indicates that sodium ion transport is the dominant mechanism of charge transport in the obsidian melt at zero pressure. The tholeiitic melt, on the other hand, displays only order of magnitude agreement between the electrical conductivity and sodium diffusivity, indicating that either ions other than sodium play a significant role in electrical transport or that the motions of the sodium ions are strongly correlated, or both. Comparison of the isobaric and isochoric activation enthalpies indicates that electrical conduction is energy restrained, as opposed to volume restrained. Conductivities in the andesitic, rhyodacitic, and rhyolitic melts conform to a single compensation law line, with no indication of the change in activation volume. The tholeiitic melt has a slightly different compensation line. In light

  3. [Study of quartz's Roman spectrum at high pressure and room temperature]. (United States)

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


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

  4. Effects of high pressure on azobenzene and hydrazobenzene probed by Raman spectroscopy. (United States)

    Dong, Zhaohui; Seemann, Natashia M; Lu, Ning; Song, Yang


    In this study, two hydrazine derivatives, azobenzene and hydrazobenzene, were compressed in a diamond anvil cell at room temperature up to 28 GPa followed by decompression. In situ Raman spectroscopy was employed to monitor the pressure-induced structural evolutions. Azobenzene was found to undergo a phase transition at ~10 GPa. Further compression to 18 GPa resulted in an irreversible breakdown of the molecular structure. Although hydrazobenzene exhibited a structural transition at a similar pressure of 10 GPa, it was found to sustain a compression pressure as high as 28 GPa without chemical reactions. The transition sequence of hydrazobenzene upon compression and decompression was thus entirely reversible in the pressure region studied, in strong contrast to that of azobenzene. The high-pressure structures of these two molecules were examined based on the spectroscopic data, and their drastically different high-pressure behaviors were analyzed and interpreted with the aid of ab initio molecular orbital calculations.

  5. Application backwards characteristics analysis method to dynamic response of metals under high pressure

    Directory of Open Access Journals (Sweden)

    Pan Hao


    Full Text Available Dynamic yield strength of metals/alloys depends on loading pressure and rates sensitively. With the development of laser interferometer measurement system, extracting strength information from window/free surface velocity profiles in shock and ramp loading experiments is becoming an important method to investigate materials’ dynamic response under high pressure and high strain rates. Backwards characteristics analysis method (BCAM can analyze the velocity profiles more reasonable because it accounts for bending of the incoming characteristics due to impedance mismatch between the sample and window. Synthetic analyses of reverse impact experiment and graded-density impactor loading-releasing experiment suggest that BCAM can give more accurate results including sound speed-particle velocity and yield strength at high pressure than incremental impedance matching method. We use BCAM to analyze velocity profiles of Sn in shock-release experiments and obtain its shear modulus and yield strength at different shock pressure and investigate its phase transition and dynamic unloading response.

  6. Evidence for photo-induced monoclinic metallic VO{sub 2} under high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Hsieh, Wen-Pin, E-mail:; Mao, Wendy L. [Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States); Department of Geological and Environmental Sciences, Stanford University, Stanford, California 94305 (United States); Trigo, Mariano [Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States); Stanford PULSE Institute, SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States); Reis, David A. [Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States); Stanford PULSE Institute, SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States); Department of Photon Science and Applied Physics, Stanford University, Stanford, California 94305 (United States); Andrea Artioli, Gianluca; Malavasi, Lorenzo [Dipartimento di Chimica, Sezione di Chimica Fisica, INSTM (UdR Pavia), Università di Pavia, Viale Taramelli 16, 27100 Pavia (Italy)


    We combine ultrafast pump-probe spectroscopy with a diamond-anvil cell to decouple the insulator-metal electronic transition from the lattice symmetry changing structural transition in the archetypal strongly correlated material vanadium dioxide. Coherent phonon spectroscopy enables tracking of the photo-excited phonon vibrational frequencies of the low temperature, monoclinic (M{sub 1})-insulating phase that transforms into the metallic, tetragonal rutile structured phase at high temperature or via non-thermal photo-excitations. We find that in contrast with ambient pressure experiments where strong photo-excitation promptly induces the electronic transition along with changes in the lattice symmetry, at high pressure, the coherent phonons of the monoclinic (M{sub 1}) phase are still clearly observed upon the photo-driven phase transition to a metallic state. These results demonstrate the possibility of synthesizing and studying transient phases under extreme conditions.

  7. Research on viscosity of metal at high pressure (United States)

    Li, Y.; Liu, F.; Ma, X.; Zhang, M.


    A new experimental technique, the flyer-impact method, is proposed in this article to investigate the viscosity coefficient of shocked metals. In this technique, a shock wave with a sinusoidal perturbation on the front is induced by the sinusoidal profile of the impact surface of the sample by use of a two-stage light-gas gun, and the oscillatory damping process of the perturbation amplitude is monitored by electric pins. The damping processes of aluminum at 78 and 101 GPa and iron at 159 and 103 GPa are obtained by this technique, which supplement the existing data by measuring the viscosity coefficient via a dynamic high-pressure method. Applying the formula of Miller and Ahrens to fit the experimental data, the shear viscosity coefficients of aluminum at 78 and 101 GPa are 1350 ± 500 and 1200 ± 500 Pa s, respectively, and those of iron at 159 and 103 GPa are 1150 ± 1000 and 4800 ± 1000 Pa s, respectively. The values measured by the flyer-impact method, approximately 103 Pa s, are consistent with those measured by Sakharov's method, while still greatly differing from those measured by static high-pressure methods. In dynamic high-pressure experiments, the shear viscosity is related to dislocation motion in the solid material, while that in static high-pressure experiments is related to the diffusion motion of atoms or molecules in liquids. Therefore, there are different physical meanings of shear viscosity in dynamic and static high-pressure experiments, and there is no comparability among these results.

  8. Back-transformation of high-pressure minerals in shocked chondrites: Low-pressure mineral evidence for strong shock (United States)

    Hu, Jinping; Sharp, Thomas G.


    Post-shock annealing of meteorites can destroy their shock-induced features, particularly high-pressure minerals, and complicate the estimation of impact pressure-temperature conditions. However, distinguishing post-shock annealing features from thermal metamorphism effects can be practically difficult. Here we report results from Mbale, a highly shocked L chondrite, to investigate the mechanisms, kinetics and identification criteria for post-shock annealing of high-pressure signatures. Olivine fragments within shock-melt veins in Mbale occur as chemically heterogeneous nanocrystalline aggregates that contain trace wadsleyite and ringwoodite. Their strong variation in fayalite content provides evidence of iron partitioning during transformation of olivine to wadsleyite, followed by back-transformation to olivine after decompression. Experimental studies of transformation kinetics show that wadsleyite transforms to olivine in seconds at temperatures above ∼1200 K and in hours at temperatures between 900 and 1200 K. Thermal models of shock-melt cooling show that shock veins in Mbale cooled to 1200 K in 1 s. The shock pulse must have been shorter than ∼1 s to provide the high temperature conditions for post-shock back-transformation of wadsleyite. Many highly shocked L chondrites, which have abundant high-pressure minerals, must have experienced relatively long shock durations combined with rapid cooling of shock-melt regions to preserve high-pressure phases. The most highly shocked samples, such as impact melt breccias, lack high-pressure phases because of post-shock back-transformations.

  9. Experiments on aerosol removal by high-pressure water spray

    Energy Technology Data Exchange (ETDEWEB)

    Corno, Ada del, E-mail: [RSE, Power Generation Technologies and Materials Dept, via Rubattino 54, I-20134 Milano (Italy); Morandi, Sonia, E-mail: [RSE, Power Generation Technologies and Materials Dept, via Rubattino 54, I-20134 Milano (Italy); Parozzi, Flavio, E-mail: [RSE, Power Generation Technologies and Materials Dept, via Rubattino 54, I-20134 Milano (Italy); Araneo, Lucio, E-mail: [Politecnico di Milano, Department of Energy, via Lambruschini 4A, I-20156 Milano (Italy); CNR-IENI, via Cozzi 53, I-20125 Milano (Italy); Casella, Francesco, E-mail: [Politecnico di Milano, Department of Energy, via Lambruschini 4A, I-20156 Milano (Italy)


    Highlights: • Experimental research to measure the efficiency of high-pressure sprays in capturing aerosols if applied to a filtered containment venting system in case of severe accident. • Cloud of monodispersed SiO{sub 2} particles with sizes 0.5 or 1.0 μm and initial concentration in the range 2–90 mg/m{sup 3}. • Carried out in a chamber 0.5 × 1.0 m and 1.5 m high, with transparent walls equipped with a high pressure water spray with single nozzle. • Respect to low-pressure sprays, removal efficiency turned out significant: the half-life for 1 μm particles with a removal high-pressure spray system is orders of magnitude shorter than that with a low-pressure sprays system. - Abstract: An experimental research was managed in the framework of the PASSAM European Project to measure the efficiency of high-pressure sprays in capturing aerosols when applied to a filtered containment venting system in case of severe accident. The campaign was carried out in a purposely built facility composed by a scrubbing chamber 0.5 × 1.0 m and 1.5 m high, with transparent walls to permit the complete view of the aerosol removal process, where the aerosol was injected to form a cloud of specific particle concentration. The chamber was equipped with a high pressure water spray system with a single nozzle placed on its top. The test matrix consisted in the combination of water pressure injections, in the range 50–130 bar, on a cloud of monodispersed SiO{sub 2} particles with sizes 0.5 or 1.0 μm and initial concentration ranging between 2 and 99 mg/m{sup 3}. The spray was kept running for 2 min and the efficiency of the removal was evaluated, along the test time, using an optical particle sizer. With respect to low-pressure sprays, the removal efficiency turned out much more significant: the half-life for 1 μm particles with a removal high-pressure spray system is orders of magnitude shorter than that with a low-pressure spray system. The highest removal rate was

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

    Energy Technology Data Exchange (ETDEWEB)

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


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

  11. Experimental characterization of interfacial behaviors of hydrocarbon mixtures in high pressure systems

    Energy Technology Data Exchange (ETDEWEB)

    Nie, Hui


    The interfacial properties and behaviors of the hydrocarbon mixtures in high pressure systems were experimentally and numerically studied during this work. Simultaneously measurements of phase densities, vapor phase compositions, and interfacial tensions were performed using the High Pressure interfacial tension facility in the Statoil Research Center, Trondheim. Numerical computations of interfacial properties at the non-homogeneous flat vapor/liquid interface were carried out with the Gradient Theory model so as to evaluate the method for future simulations of interfacial characteristics of the real gas condensate. It was found that the accuracy of the Gradient Theory is superior to the Parachor Method, which has been traditionally used in the oil industry for its interfacial tension predictions. In the laboratory, the high pressure Anton Paar oscillation tube densitometer was employed for liquid and vapor phase density measurements, and the pendant drop method was used to generate the interfacial tension data. The Online Gas Chromatography (GC) cell was utilized to obtain the vapor phase compositions under high pressure conditions. In this study, the methane + ethane + n-pentane system is considered to be a synthetic condensate, which mimics the thermodynamic behavior of a real nature gas in high pressure gas/liquid separation systems. The experimental temperature is set to 294.15 K since it is close to the scrubber' normal working temperature. Both the phase densities and interfacial tensions of the methane + n-pentane, ethane + n-pentane and methane + ethane + n-pentane systems were measured in the interfacial tension rig. The experimental data is crucial for the understanding, experimental characterizing, and developing the thermodynamic model in predicting interfacial properties and the phase behaviors governing the high pressure vapor/liquid separation process, which is the main purpose of this research. The Gradient Theory method, combined with the

  12. Origin of the critical temperature discontinuity in superconducting sulfur under high pressure (United States)

    Monni, M.; Bernardini, F.; Sanna, A.; Profeta, G.; Massidda, S.


    Elemental sulfur shows a superconducting phase at high pressure (above 100 GPa), with critical temperatures that rise up to 20 K [Phys. Rev. B 65, 064504 (2002), 10.1103/PhysRevB.65.064504; Nature (London) 525, 73 (2015), 10.1038/nature14964] and presenting a jump at about 160 GPa, close to a structural phase transition to the β -Po phase. In this work we present a theoretical and fully ab initio characterization of sulfur based on superconducting density functional theory (SCDFT), focusing in the pressure range from 100 to 200 GPa. Calculations result in very good agreement with available experiments and point out that the origin of the critical temperature discontinuity is not related to the structural phase transition but induced by an electronic Lifshitz transition. This brings a strongly (interband) coupled electron pocket available for the superconducting condensation.

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

    Energy Technology Data Exchange (ETDEWEB)

    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: [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)


    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.

  14. High-pressure structural and elastic properties of Tl₂O₃

    Energy Technology Data Exchange (ETDEWEB)

    Gomis, O., E-mail:; 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


    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.

  15. Equation of state of liquid Indium under high pressure

    Directory of Open Access Journals (Sweden)

    Huaming Li


    Full Text Available We apply an equation of state of a power law form to liquid Indium to study its thermodynamic properties under high temperature and high pressure. Molar volume of molten indium is calculated along the isothermal line at 710K within good precision as compared with the experimental data in an externally heated diamond anvil cell. Bulk modulus, thermal expansion and internal pressure are obtained for isothermal compression. Other thermodynamic properties are also calculated along the fitted high pressure melting line. While our results suggest that the power law form may be a better choice for the equation of state of liquids, these detailed predictions are yet to be confirmed by further experiment.

  16. Introduction to high-pressure bioscience and biotechnology. (United States)

    Bartlett, Douglas H


    The manipulation of biological materials using elevated pressure is providing an ever-growing number of opportunities in both the applied and basic sciences. Manipulation of pressure is a useful parameter for enhancing food quality and shelf life; inactivating microbes, viruses, prions, and deleterious enzymes; affecting recombinant protein production; controlling DNA hybridization; and improving vaccine preparation. In biophysics and biochemistry, pressure is used as a tool to study intermediates in protein folding, enzyme kinetics, macromolecular interactions, amyloid fibrous protein aggregation, lipid structural changes, and to discern the role of solvation and void volumes in these processes. Biologists, including many microbiologists, examine the utility and basis of pressure inactivation of cells and cellular processes, and conversely seek to discover how deep-sea life has evolved a preference for high-pressure environments. This introduction and the papers that follow provide information on the nature and promise of the highly interdisciplinary field of high-pressure bioscience and biotechnology (HPBB).

  17. Miscible displacement by high-pressure gas at Block 31

    Energy Technology Data Exchange (ETDEWEB)

    Hardy, J.H.; Robertson, N.


    The world's first large-scale miscible displacement project by high-pressure gas injection has produced 130,000,000 bbl, almost double the original estimated primary recovery of 69,000,000 bbl, at the University Block 31 field in Crane County, Texas. The field-wide project began in 1952, and will keep the unit on stream well into the future, with ultimate recovery efficiency estimated at 60%. Infill drilling has helped boost daily production to 16,000 bbl, highest producing rate since gas injection began in 1949. The subject discussed include reservoir characteristics, high pressure gas miscibility, flue gas generation, production problems, and new lift for an old field by infill drilling.

  18. Germination of vegetable seeds exposed to very high pressure (United States)

    Mori, Y.; Yokota, S.; Ono, F.


    Effects of high hydrostatic pressure were investigated on vegetable seeds in the GPa range to examine the potentialities of breed improvement by high-pressure processing. Specimens of several seeds of broccoli (Brassica oleracea var. italica), Turnip leaf (Brassica rapa var. perviridis) and Potherb Mustard (Brassica rapa var. nipposinica) were put in a teflon capsule with liquid high pressure medium, fluorinate, and inserted into a pyrophillite cube. By using a cubic anvil press a hydrostatic pressure of 5.5 GP a was applied to these seeds for 15 minutes. After being brought back to ambient pressure, they were seeded on humid soil in a plant pot. Many of these vegetable seeds began to germinate within 6 days after seeded.

  19. The effect of high pressure on nitrogen compounds of milk

    Energy Technology Data Exchange (ETDEWEB)

    Kielczewska, Katarzyna [Institute of Dairy Science and Technology Development, Warmia and Masuria University in Olsztyn, Hevelius 1 Street, 10-957 Olsztyn (Poland); Czerniewicz, Maria [Institute of Dairy Science and Technology Development, Warmia and Masuria University in Olsztyn, Hevelius 1 Street, 10-957 Olsztyn (Poland); Michalak, Joanna [Chair of Instrumental Analysis, Warmia and Masuria University in Olsztyn, Hevelius 1 Street, 10-957 Olsztyn (Poland); Brandt, Waldemar [Institute of Dairy Science and Technology Development, Warmia and Masuria University in Olsztyn, Hevelius 1 Street, 10-957 Olsztyn (Poland)


    The effect of pressurization at different pressures (from 200 to 1000 MPa, at 200 MPa intervals, t{sub const.} = 15 min) and periods of time (from 15 to 35 min, at 10 min intervals, p{sub const.} = 800 MPa) on the changes of proteins and nitrogen compounds of skimmed milk was studied. The pressurization caused an increase in the amount of soluble casein and denaturation of whey proteins. The level of nonprotein nitrogen compounds and proteoso-peptone nitrogen compounds increased as a result of the high-pressure treatment. These changes increased with an increase in pressure and exposure time. High-pressure treatment considerably affected the changes in the conformation of milk proteins, which was reflected in the changes in the content of proteins sedimenting and an increase in their degree of hydration.

  20. Leak Detection of High Pressure Feedwater Heater Using Empirical Models

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Song Kyu; Kim, Eun Kee [Korea Power Engineering Company, Daejeon (Korea, Republic of); Heo, Gyun Young [Kyung Hee University, Yongin (Korea, Republic of); An, Sang Ha [Korea Advanced Institute of Science and Technology, Daejeon (Korea, Republic of)


    Even small leak from tube side or pass partition within the high pressure feedwater heater (HPFWH) causes a significant deficiency in its performance. Plant operation under the HPFWH leak condition for long time will result in cost increase. Tube side leak within HPFWH can produce the high velocity jet of water and it can cause neighboring tube failures. However, most of plants are being operated without any information for internal leaks of HPFWH, even though it is prone to be damaged under high temperature and high pressure operating conditions. Leaks from tubes and/or pass partition of HPFWH occurred in many nuclear power plants, for example, Mihama PS-2, Takahama PS-2 and Point Beach Nuclear Plant Unit 1. If the internal leaks of HPFWH are monitored, the cost can be reduced by inexpensive repairs relative to loss in performance and moreover plant shutdown as well as further tube damages can be prevented.

  1. Industrial high pressure applications. Processes, equipment and safety

    Energy Technology Data Exchange (ETDEWEB)

    Eggers, Rudolf (ed.) [Technische Univ. Hamburg-Harburg, Hamburg (Germany). Inst. fuer Thermische Verfahrenstechnik


    Industrial high pressure processes open the door to many reactions that are not possible under 'normal' conditions. These are to be found in such different areas as polymerization, catalytic reactions, separations, oil and gas recovery, food processing, biocatalysis and more. The most famous high pressure process is the so-called Haber-Bosch process used for fertilizers and which was awarded a Nobel prize. Following an introduction on historical development, the current state, and future trends, this timely and comprehensive publication goes on to describe different industrial processes, including methanol and other catalytic syntheses, polymerization and renewable energy processes, before covering safety and equipment issues. With its excellent choice of industrial contributions, this handbook offers high quality information not found elsewhere, making it invaluable reading for a broad and interdisciplinary audience.

  2. Tolerance of budding yeast Saccharomyces cerevisiae to ultra high pressure (United States)

    Shibata, M.; Torigoe, M.; Matsumoto, Y.; Yamamoto, M.; Takizawa, N.; Hada, Y.; Mori, Y.; Takarabe, K.; Ono, F.


    Our studies on the tolerance of plants and animals against very high pressure of several GPa have been extended to a smaller sized fungus, the budding yeast Saccharomyces cerevisiae. Several pieces of budding yeast (dry yeast) were sealed in a small teflon capsule with a liquid pressure medium fluorinate, and exposed to 7.5 GPa by using a cubic anvil press. The pressure was kept constant for various duration of time from 2 to 24 h. After the pressure was released, the specimens were brought out from the teflon capsule, and they were cultivated on a potato dextrose agar. It was found that the budding yeast exposed to 7.5 GPa for up to 6 h showed multiplication. However, those exposed to 7.5 GPa for longer than 12 h were found dead. The high pressure tolerance of budding yeast is a little weaker than that of tardigrades.

  3. High pressure extraction of phenolic compounds from citrus peels† (United States)

    Casquete, R.; Castro, S. M.; Villalobos, M. C.; Serradilla, M. J.; Queirós, R. P.; Saraiva, J. A.; Córdoba, M. G.; Teixeira, P.


    This study evaluated the effect of high pressure processing on the recovery of high added value compounds from citrus peels. Overall, the total phenolic content in orange peel was significantly (P < .05) higher than that in lemon peel, except when pressure treated at 500 MPa. However, lemon peel demonstrated more antioxidant activity than orange peel. Pressure-treated samples (300 MPa, 10 min; 500 MPa, 3 min) demonstrated higher phenolic content and antioxidant activity comparatively to the control samples. For more severe treatments (500 MPa, 10 min), the phenolic content and antioxidant activity decreased in both lemon and orange peels. This paper was presented at the 8th International Conference on High Pressure Bioscience & Biotechnology (HPBB 2014), in Nantes (France), 15-18 July 2014.

  4. High-pressure vapor-liquid equilibria of systems containing ethylene glycol, water and methane - Experimental measurements and modeling

    DEFF Research Database (Denmark)

    Folas, Georgios; Berg, Ole J.; Solbraa, Even


    This work presents new experimental phase equilibrium measurements of the binary MEG-methane and the ternary MEG-water-methane system at low temperatures and high pressures which are of interest to applications related to natural gas processing. Emphasis is given to MEG and water solubility...

  5. Volume analysis of supercooled water under high pressure


    Duki, Solomon F.; Tsige, Mesfin


    Motivated by recent experimental findings on the volume of supercooled water at high pressure [O. Mishima, J. Chem. Phys. 133, 144503 (2010)] we performed atomistic molecular dynamics simulations study of bulk water in the isothermal-isobaric ensemble. Cooling and heating cycles at different isobars and isothermal compression at different temperatures are performed on the water sample with pressures that range from 0 to 1.0 GPa. The cooling simulations are done at temperatures that range from...

  6. Simulation of plasma loading of high-pressure RF cavities

    Energy Technology Data Exchange (ETDEWEB)

    Yu, Kwangmin [Brookhaven; Samulyak, Roman [SUNY, Stony Brook; Yonehara, Katsuya [Fermilab; Freemire, Ben [Northern Illinois U.


    Muon beam-induced plasma loading of radio-frequency (RF) cavities filled with high pressure hydrogen gas with 1% dry air dopant has been studied via numerical simulations. The electromagnetic code SPACE, that resolves relevant atomic physics processes, including ionization by the muon beam, electron attachment to dopant molecules, and electron-ion and ion-ion recombination, has been used. Simulations studies have been performed in the range of parameters typical for practical muon cooling channels.

  7. High pressure-sensitive gene expression in Lactobacillus sanfranciscensis

    Directory of Open Access Journals (Sweden)

    R.F. Vogel


    Full Text Available Lactobacillus sanfranciscensis is a Gram-positive lactic acid bacterium used in food biotechnology. It is necessary to investigate many aspects of a model organism to elucidate mechanisms of stress response, to facilitate preparation, application and performance in food fermentation, to understand mechanisms of inactivation, and to identify novel tools for high pressure biotechnology. To investigate the mechanisms of the complex bacterial response to high pressure we have analyzed changes in the proteome and transcriptome by 2-D electrophoresis, and by microarrays and real time PCR, respectively. More than 16 proteins were found to be differentially expressed upon high pressure stress and were compared to those sensitive to other stresses. Except for one apparently high pressure-specific stress protein, no pressure-specific stress proteins were found, and the proteome response to pressure was found to differ from that induced by other stresses. Selected pressure-sensitive proteins were partially sequenced and their genes were identified by reverse genetics. In a transcriptome analysis of a redundancy cleared shot gun library, about 7% of the genes investigated were found to be affected. Most of them appeared to be up-regulated 2- to 4-fold and these results were confirmed by real time PCR. Gene induction was shown for some genes up-regulated at the proteome level (clpL/groEL/rbsK, while the response of others to high hydrostatic pressure at the transcriptome level seemed to differ from that observed at the proteome level. The up-regulation of selected genes supports the view that the cell tries to compensate for pressure-induced impairment of translation and membrane transport.

  8. Ammonia oxidation at high pressure and intermediate temperatures

    DEFF Research Database (Denmark)

    Song, Yu; Hashemi, Hamid; Christensen, Jakob Munkholt


    was satisfactory. The main oxidation path for NH3 at high pressure under oxidizing conditions is NH3⟶+OH NH2⟶+HO2,NO2 H2NO⟶+O2 HNO⟶+O2 NO ⟶+NH2 N2. The modeling predictions are most sensitive to the reactions NH2 + NO = NNH + OH and NH2 + HO2 = H2NO + OH, which promote the ammonia consumption by forming OH...

  9. Effect of High Pressure and Heat on Bacterial Toxins

    Directory of Open Access Journals (Sweden)

    Dirk Margosch


    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.

  10. High-pressure carbon monoxide preserves rat kidney grafts from apoptosis and inflammation. (United States)

    Abe, Toyofumi; Yazawa, Koji; Fujino, Masayuki; Imamura, Ryoichi; Hatayama, Naoyuki; Kakuta, Yoichi; Tsutahara, Koichi; Okumi, Masayoshi; Ichimaru, Naotsugu; Kaimori, Jun-Ya; Isaka, Yoshitaka; Seki, Kunihiro; Takahara, Shiro; Li, Xiao-Kang; Nonomura, Norio


    Renal ischemia-reperfusion (I/R) injury is unavoidable in kidney transplantation (KTx) and frequently influences both short- and long-term allograft survival. Carbon monoxide (CO) has attracted attention as a medical gas with anti-inflammatory and anti-apoptotic effects. We investigated a new strategy for organ preservation using ex vivo application of high-pressure CO in an experimental rat KTx model. We preserved kidney grafts using a high-pressure chamber filled with mixed gases composed of CO and O2. We found that cold I/R injury resulted in progressive deterioration of renal graft function in University of Wisconsin solution, whereas CO significantly improved renal function. We confirmed that CO decreased oxidative stress and mRNA expression of proinflammatory cytokines and inhibited tubular apoptosis in the early phases. Western blot analysis demonstrated that CO increased phosphatidylinositol-3 kinase and phosphorylation of Akt and p38 mitogen-activated protein kinase. Furthermore, CO significantly alleviated tubular injury scores and suppressed the development of interstitial fibrosis at 100 days after KTx. Thus, high-pressure mixed CO and O2 gases successfully preserved rat kidney grafts for 24 h by protecting tubular epithelial cells from apoptosis and inhibiting inflammation.

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

    Energy Technology Data Exchange (ETDEWEB)

    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)


    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.

  12. Planar near-nozzle velocity measurements during a single high-pressure fuel injection (United States)

    Schlüßler, Raimund; Gürtler, Johannes; Czarske, Jürgen; Fischer, Andreas


    In order to reduce the fuel consumption and exhaust emissions of modern Diesel engines, the high-pressure fuel injections have to be optimized. This requires continuous, time-resolved measurements of the fuel velocity distribution during multiple complete injection cycles, which can provide a deeper understanding of the injection process. However, fuel velocity measurements at high-pressure injection nozzles are a challenging task due to the high velocities of up to 300 m/s, the short injection durations in the range and the high fuel droplet density especially near the nozzle exit. In order to solve these challenges, a fast imaging Doppler global velocimeter with laser frequency modulation (2D-FM-DGV) incorporating a high-speed camera is presented. As a result, continuous planar velocity field measurements are performed with a measurement rate of 200 kHz in the near-nozzle region of a high-pressure Diesel injection. The injection system is operated under atmospheric surrounding conditions with injection pressures up to 1400 bar thereby reaching fuel velocities up to 380 m/s. The measurements over multiple entire injection cycles resolved the spatio-temporal fluctuations of the fuel velocity, which occur especially for low injection pressures. Furthermore, a sudden setback of the velocity at the beginning of the injection is identified for various injection pressures. In conclusion, the fast measurement system enables the investigation of the complete temporal behavior of single injection cycles or a series of it. Since this eliminates the necessity of phase-locked measurements, the proposed measurement approach provides new insights for the analysis of high-pressure injections regarding unsteady phenomena.

  13. Cryogenic Transport of High-Pressure-System Recharge Gas (United States)

    Ungar, Eugene K,; Ruemmele, Warren P.; Bohannon, Carl


    A method of relatively safe, compact, efficient recharging of a high-pressure room-temperature gas supply has been proposed. In this method, the gas would be liquefied at the source for transport as a cryogenic fluid at or slightly above atmospheric pressure. Upon reaching the destination, a simple heating/expansion process would be used to (1) convert the transported cryogenic fluid to the room-temperature, high-pressure gaseous form in which it is intended to be utilized and (2) transfer the resulting gas to the storage tank of the system to be recharged. In conventional practice for recharging high-pressure-gas systems, gases are transported at room temperature in high-pressure tanks. For recharging a given system to a specified pressure, a transport tank must contain the recharge gas at a much higher pressure. At the destination, the transport tank is connected to the system storage tank to be recharged, and the pressures in the transport tank and the system storage tank are allowed to equalize. One major disadvantage of the conventional approach is that the high transport pressure poses a hazard. Another disadvantage is the waste of a significant amount of recharge gas. Because the transport tank is disconnected from the system storage tank when it is at the specified system recharge pressure, the transport tank still contains a significant amount of recharge gas (typically on the order of half of the amount transported) that cannot be used. In the proposed method, the cryogenic fluid would be transported in a suitably thermally insulated tank that would be capable of withstanding the recharge pressure of the destination tank. The tank would be equipped with quick-disconnect fluid-transfer fittings and with a low-power electric heater (which would not be used during transport). In preparation for transport, a relief valve would be attached via one of the quick-disconnect fittings (see figure). During transport, the interior of the tank would be kept at a near

  14. Structural behavior of Tl-exchanged natrolite at high pressure depending on the composition of pressure-transmitting medium (United States)

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


    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.

  15. Study on the dynamic characteristics, refrigerant and lubricating oil in the high-pressure hermetic compressor. (United States)

    Okada, Tetsuji

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

  16. Ab Initio Study of the Structure and Stability of High-Pressure Iron-Bearing Dolomite (United States)

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


    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.

  17. Melt-Conditioned, High-Pressure Die Casting of Mg-Zn-Y Alloy (United States)

    Xia, Mingxu; Mitra, Subhajit; Dhindaw, Brij; Liu, Guojun; Fan, Zhongyun


    The liquid Mg-Zn-Y alloy was conditioned by an application of high-intensive shearing with a pair of intermesh twin screws prior to high-pressure die casting (HPDC). Melt conditioning produces a uniform microstructure with fine grain size and high integrity. The microstructure was analyzed thoroughly, and the solidification characteristics of the melt-conditioned HPDC (MC-HPDC) structure were discussed. The enhancement in I-phase precipitation and the improvement in mechanical properties of MC-HPDC Mg-Zn-Y alloy can be achieved through cyclic annealing.

  18. Fatigue Crack Growth Mechanisms in High-Pressure Die-Cast Magnesium Alloys (United States)

    El Kadiri, Haitham; Horstemeyer, M. F.; Jordon, J. B.; Xue, Yibin


    Microstructure-affected micromechanisms of fatigue crack growth operating near the limit plasticity regime were experimentally identified for the four main commercial high-pressure die-cast (HPDC) magnesium alloys: AM50, AM60, AZ91, and AE44. These fatigue micromechanisms manifested by the concomitant effects of casting pores, interdendritic Al-rich solid solution layer, β-phase particles, Mn-rich inclusions, rare earth-rich intermetallics, dendrite cell size, and surface segregation phenomena. These concomitant mechanisms clearly delineated the fatigue durability observed for the AM50, AM60, AZ91, and AE44 Mg alloys in both the low- and high-cycle fatigue regimes.

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

    Energy Technology Data Exchange (ETDEWEB)

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


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

  20. New high pressure polymorph of the CaSi2 compound with Laves structure (United States)

    Bouderba, Hichem; Beddiaf, Raouf


    In the present work, based on first-principles calculations, we show that it is possible to obtain a new high pressure polymorph of the CaSi2 compound with a Laves structure. It corresponds to the MgCu2-type (C15) which is one of the three most important Laves phases. We also show that the two other structures, MgNi2- and MgZn2-types are very competitive energetically and are possible candidates for finite temperature investigations.

  1. Automated high-pressure liquid chromatographic analysis of aspirin, phenacetin, and caffeine. (United States)

    Ascione, P P; Chrekian, G P


    An automated high-pressure liquid chromatographic (HPLC) method for the separation and determination of aspirin, phenacetin, and caffeine in pharmaceutical dosage forms is descreibed. Separation of these compounds for quantitation is achieved on a controlled pore glass support, utilizing a mixture of acetic acid and chloroform as the mobile phase. The method is specific, accurate, and simple and provides for the quantitation of each chromatogram in a continuous fashion every 7 min. HPLC separation of other analgesics was studied on a spherical siliceous support. The feasibility of determining free salicylic acid in analgesics also was established.

  2. Determination of drug stability in aspirin tablet formulations by high-pressure liquid chromatography. (United States)

    Taguchi, V Y; Cotton, M L; Yates, C H; Millar, J F


    Salicylic acid and aspirin were resolved from the other salicylates in thermally degraded multicomponent tablets and determined quantitatively. The analytical method involved wetting the powdered tablet with acetic acid and diluting with chloroform to extract the drug components. Automated high-pressure liquid chromatographic analyses of filtered extracts were performed on a silica column with a mobile phase of acetic acid in heptane. The method was capable of resolving the major thermally induced transformation products in tablet formulations. It was sensitive to approximately 0.1 mg of salicylic acid/tablet. Good agreement with the compendial method for free salicylic acid was obtained.

  3. AXEL : Neutrinoless double beta decay search with a high pressure xenon gas Time Projection Chamber (United States)

    Ban, Sei; AXEL Collaboration


    AXEL is a high pressure xenon gas TPC detector being developed for neutrinoless double-beta decay search. It is operated at the proportional scintillation mode. We have developed a new electroluminescence light detection scheme to achieve very high energy resolution with a large detector. The detector has a capability of tracking which can be used to reduce background. The project is in a R&D phase, and we report the current status of our prototype chamber with 10 L and 4 bar Xe gas.

  4. Liquid-propellant droplet vaporization and combustion in high pressure environments (United States)

    Yang, Vigor


    In order to correct the deficiencies of existing models for high-pressure droplet vaporization and combustion, a fundamental investigation into this matter is essential. The objective of this research are: (1) to acquire basic understanding of physical and chemical mechanisms involved in the vaporization and combustion of isolated liquid-propellant droplets in both stagnant and forced-convective environments; (2) to establish droplet vaporization and combustion correlations for the study of liquid-propellant spray combustion and two-phase flowfields in rocket motors; and (3) to investigate the dynamic responses of multicomponent droplet vaporization and combustion to ambient flow oscillations.

  5. The high-pressure behavior of an Al- and Fe-rich natural orthopyroxene

    DEFF Research Database (Denmark)

    Nestola, F.; Boffa Ballaran, T.; Balic Zunic, Tonci


    A single crystal of a natural orthopyroxene with composition M2[Fe2+0.818Mg0.156Ca0.010Mn0.016]M1[Fe2+0.081 Mg0.767Al0.084Fe3+0.068]TA[Si]TB[Si0.848Al0.152]O6 and space group Pbca (sample S95) was investigated at high pressure by X-ray diffraction using a diamond-anvil cell up to 9.56 GPa. No phase...

  6. Microscopic Origins of the Anomalous Melting Behavior of Sodium under High Pressure (United States)

    Eshet, Hagai; Khaliullin, Rustam Z.; Kühne, Thomas D.; Behler, Jörg; Parrinello, Michele


    X-ray diffraction experiments have shown that sodium exhibits a dramatic pressure-induced drop in melting temperature, which extends from 1000 K at ˜30GPa to as low as room temperature at ˜120GPa. Despite significant theoretical effort to understand the anomalous melting, its origins are still debated. In this work, we reconstruct the sodium phase diagram by using an ab initio quality neural-network potential. Furthermore, we demonstrate that the reentrant behavior results from the screening of interionic interactions by conduction electrons, which at high pressure induces a softening in the short-range repulsion.

  7. Stored energy in ultrafine-grained 316L stainless steel processed by high-pressure torsion

    Directory of Open Access Journals (Sweden)

    Moustafa El-Tahawy


    Full Text Available The energy stored in severely deformed ultrafine-grained (UFG 316L stainless steel was investigated by differential scanning calorimetry (DSC. A sample was processed by high-pressure torsion (HPT for N = 10 turns. In the DSC thermogram, two peaks were observed. The first peak was exothermic and related to the annihilation of vacancies and dislocations. During this recovery, the phase composition and the average grain size were practically unchanged. The energy stored in dislocations was calculated and compared with the heat released in the exothermic DSC peak. The difference was related to the annihilation of vacancy-like defects with a concentration of ∼5.2 × 10−4. The second DSC peak was endothermic which was caused by a reversion of α′-martensite into γ-austenite, however in this temperature range dislocation annihilation and a moderate grain growth also occurred. The specific energy of the reverse martensitic phase transformation was determined as about −11.7 J/g. Keywords: High-pressure torsion, Stored energy, Stainless steel, Phase transformation, Thermal stability

  8. Influence of process parameters of high-pressure emulsification method on the properties of pilocarpine-loaded nanoparticles. (United States)

    Yoncheva, K; Vandervoort, J; Ludwig, A


    Poly(lactide-co-glycolide) nanoparticles loaded with pilocarpine hydrochloride were prepared by the high-pressure emulsification-solvent evaporation method. The nanoparticles were produced using polyvinylalcohol (PVA), carbomer (Carbopol 980) or poloxamer (Lutrol F-68) as stabilizers during emulsification. The influence of pressure and number of cycles on the nanoparticle properties was investigated. For comparison, nanoparicles without high-pressure treatment of the emulsion were made. The nanoparticle size, drug loading and release properties depended strongly on the homogenization pressure and number of cycles applied. Nanoparticles obtained without high pressure homogenization showed larger size and high values of polydispersity index, especially when carbopol and poloxamer were used as emulsifiers. Drug loading and encapsulation efficiency of all samples also decreased with pressure. The low drug loading could be due to two reasons. First, the high pressure promoted drug diffusion out of protoparticles during emulsification either by size reduction or shear forces. Secondly, the characteristics of the outer water phase of the emulsion also influenced the nanoparticle drug loading. This was proven by the different drug loadings measured when nanoparticles were made with PVA, carbopol or poloxamer at equal pressures applied. The main factor influencing the release properties of nanoparticles was the pressure used during emulsification. Faster drug release was observed from nanoparticles obtained after high-pressure emulsification compared to those prepared without homogenization of the emulsion.

  9. High-pressure transformations of ortho-xylene probed by combined infrared and Raman spectroscopies (United States)

    Bai, Yanzhi; Li, Nana; Pei, Cuiying; Yan, Zhipeng; Li, Wentao; Wei, Dongqing


    Here, we report high-pressure investigations of ortho-xylene (o-xylene) using combined infrared (IR) and Raman spectral measurements at room temperature and pressures up to 32.1 GPa, respectively. Liquid o-xylene visually crystallized at around 0.4 GPa. Upon compression, the spectra changed; including splitting, disappearing, broadening of modes, and the appearance of new modes. We found four more phase transitions in o-xylene to phases III, IV, V, and VI at around 1.4, 3.9, 12.3, and 16.8 GPa, respectively. The final product recovered from over 20 GPa was preserved at ambient conditions and the mass spectrometry experiment indicated phase transition are polymerization.

  10. Application of calorimetry on a chip to high-pressure materials. (United States)

    Navrotsky, Alexandra; Dorogova, Maria; Hellman, Frances; Cooke, David W; Zink, Barry L; Lesher, Charles E; Boerio-Goates, Juliana; Woodfield, Brian F; Lang, Brian


    Silicon micromachined calorimeters ("calorimeter on a chip") are used to measure heat capacities and phase transition enthalpies for thin film, single crystal, and powder samples (5-500 mug). The technology is thus compatible with the small samples produced in multianvil and large diamond anvil cells. Techniques for handling small samples and attaching them to the calorimetric devices have been developed. Initial data illustrate application to CoO and to Fe(2)SiO(4) olivine and spinel, a quenched high pressure phase metastable at ambient conditions. The calorimetric entropy of the olivine-spinel transition in Fe(2)SiO(4) (-16 +/- 5 J/mol.K) is in good agreement with that calculated from phase equilibrium data (-14 +/- 3 J/mol.K). A magnetic transition in iron silicate spinel, detected previously by Mossbauer spectroscopy, is seen in the calorimetric signal.

  11. High pressure Raman scattering study on Sm2Mo4O15 system (United States)

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


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

  12. Cryogenic x-ray diffraction microscopy utilizing high-pressure cryopreservation (United States)

    Lima, Enju; Chushkin, Yuriy; van der Linden, Peter; Kim, Chae Un; Zontone, Federico; Carpentier, Philippe; Gruner, Sol M.; Pernot, Petra


    We present cryo x-ray diffraction microscopy of high-pressure-cryofixed bacteria and report high-convergence imaging with multiple image reconstructions. Hydrated D. radiodurans cells were cryofixed at 200 MPa pressure into ˜10-μm-thick water layers and their unstained, hydrated cellular environments were imaged by phasing diffraction patterns, reaching sub-30-nm resolutions with hard x-rays. Comparisons were made with conventional ambient-pressure-cryofixed samples, with respect to both coherent small-angle x-ray scattering and the image reconstruction. The results show a correlation between the level of background ice signal and phasing convergence, suggesting that phasing difficulties with frozen-hydrated specimens may be caused by high-background ice scattering.

  13. Analysis, design and testing of high pressure waterjet nozzles (United States)

    Mazzoleni, Andre P.


    The Hydroblast Research Cell at MSFC is both a research and a processing facility. The cell is used to investigate fundamental phenomena associated with waterjets as well as to clean hardware for various NASA and contractor projects. In the area of research, investigations are made regarding the use of high pressure waterjets to strip paint, grease, adhesive and thermal spray coatings from various substrates. Current industrial methods of cleaning often use ozone depleting chemicals (ODC) such as chlorinated solvents, and high pressure waterjet cleaning has proven to be a viable alternative. Standard methods of waterjet cleaning use hand held or robotically controlled nozzles. The nozzles used can be single-stream or multijet nozzles, and the multijet nozzles may be mounted in a rotating head or arranged in a fan-type shape. We consider in this paper the use of a rotating, multijet, high pressure water nozzle which is robotically controlled. This method enables rapid cleaning of a large area, but problems such as incomplete coverage (e.g. the formation of 'islands' of material not cleaned) and damage to the substrate from the waterjet have been observed. In addition, current stripping operations require the nozzle to be placed at a standoff distance of approximately 2 inches in order to achieve adequate performance. This close proximity of the nozzle to the target to be cleaned poses risks to the nozzle and the target in the event of robot error or the striking of unanticipated extrusions on the target surface as the nozzle sweeps past. Two key motivations of this research are to eliminate the formation of 'coating islands' and to increase the allowable standoff distance of the nozzle.

  14. Equilibria of oligomeric proteins under high pressure - A theoretical description. (United States)

    Ingr, Marek; Kutálková, Eva; Hrnčiřík, Josef; Lange, Reinhard


    High pressure methods have become a useful tool for studying protein structure and stability. Using them, various physico-chemical processes including protein unfolding, aggregation, oligomer dissociation or enzyme-activity decrease were studied on many different proteins. Oligomeric protein dissociation is a process that can perfectly utilize the potential of high-pressure techniques, as the high pressure shifts the equilibria to higher concentrations making them better observable by spectroscopic methods. This can be especially useful when the oligomeric form is highly stable at atmospheric pressure. These applications may be, however, hindered by less intensive experimental response as well as interference of the oligomerization equilibria with unfolding or aggregation of the subunits, but also by more complex theoretical description. In this study we develop mathematical models describing different kinds of oligomerization equilibria, both closed (equilibrium of monomer and the highest possible oligomer without any intermediates) and consecutive. Closed homooligomer equilibria are discussed for any oligomerization degree, while the more complex heterooligomer equilibria and the consecutive equilibria in both homo- and heterooligomers are taken into account only for dimers and trimers. In all the cases, fractions of all the relevant forms are evaluated as functions of pressure and concentration. Significant points (inflection points and extremes) of the resulting transition curves, that can be determined experimentally, are evaluated as functions of pressure and/or concentration. These functions can be further used in order to evaluate the thermodynamic parameters of the system, i.e. atmospheric-pressure equilibrium constants and volume changes of the individual steps of the oligomer-dissociation processes. Copyright © 2016 Elsevier Ltd. All rights reserved.

  15. High Pressure Serpentinization Catalysed by Awaruite in Planetary Bodies (United States)

    Neto-Lima, J.; Fernández-Sampedro, M.; Prieto-Ballesteros, O.


    Recent discoveries from planetary missions show that serpentinization process may act significantly on the geological evolution and potential habitability of the icy bodies of the Solar System, like Enceladus or Europa. Here we review the available experimental data so far about methane formation occurring during serpentinization, which is potentially relevant to icy moons, and present our results using awaruite as a catalyst of this process. The efficiency of awaruite and high pressure in the Fischer-Tropsch and Sabatier Type reactions are evaluated here when olivine is incubated.

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

    Energy Technology Data Exchange (ETDEWEB)

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


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

  17. System Study: High-Pressure Coolant Injection 1998-2014

    Energy Technology Data Exchange (ETDEWEB)

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


    This report presents an unreliability evaluation of the high-pressure coolant injection system (HPCI) at 25 U.S. commercial boiling water reactors. Demand, run hours, and failure data from fiscal year 1998 through 2014 for selected components were obtained from the Institute of Nuclear Power Operations (INPO) Consolidated Events Database (ICES). The unreliability results are trended for the most recent 10 year period, while yearly estimates for system unreliability are provided for the entire active period. No statistically significant increasing or decreasing trends were identified in the HPCI results.

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

    Energy Technology Data Exchange (ETDEWEB)

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


    This report presents an unreliability evaluation of the high-pressure safety injection system (HPSI) at 69 U.S. commercial nuclear power plants. Demand, run hours, and failure data from fiscal year 1998 through 2013 for selected components were obtained from the Institute of Nuclear Power Operations (INPO) Consolidated Events Database (ICES). The unreliability results are trended for the most recent 10-year period while yearly estimates for system unreliability are provided for the entire active period. No statistically significant increasing or decreasing trends were identified in the HPSI results.

  19. High pressure CO hydrogenation over bimetallic Pt-Co catalysts

    DEFF Research Database (Denmark)

    Christensen, Jakob Munkholt; Medford, Andrew James; Studt, Felix


    The potential of bimetallic Pt-Co catalysts for production of higher alcohols in high pressure CO hydrogenation has been assessed. Two catalysts (Pt3Co/SiO2 and PtCo/SiO2) were tested, and the existing literature on CO hydrogenation over Pt-Co catalysts was reviewed. It is found that the catalysts...... produce mainly methanol in the Pt-rich composition range andmainly hydrocarbons (and to a modest extent higher alcohols) in the Co-rich composition range. The transition between the two types of behavior occurs in a narrow composition range around a molar Pt:Co ratio of 1:1....

  20. High pressure melting curves of silver, gold and copper

    Directory of Open Access Journals (Sweden)

    Ho Khac Hieu


    Full Text Available In this work, based on the Lindemann's formula of melting and the pressure-dependent Grüneisen parameter, we have investigated the pressure effect on melting temperature of silver, gold and copper metals. The analytical expression of melting temperature as a function of volume compression has been derived. Our results are compared with available experimental data as well as with previous theoretical studies and the good and reasonable agreements are found. We also proposed the potential of this approach on predicting melting of copper at very high pressure.

  1. High pressure melting curves of silver, gold and copper

    Energy Technology Data Exchange (ETDEWEB)

    Hieu, Ho Khac, E-mail: [Research and Development Center for Science and Technology, Duy Tan University, K7/25 Quang Trung, Danang (Viet Nam); Ha, Nguyen Ngoc [VNU-Hanoi University of Science, 334 Nguyen Trai, Hanoi (Viet Nam)


    In this work, based on the Lindemann's formula of melting and the pressure-dependent Grüneisen parameter, we have investigated the pressure effect on melting temperature of silver, gold and copper metals. The analytical expression of melting temperature as a function of volume compression has been derived. Our results are compared with available experimental data as well as with previous theoretical studies and the good and reasonable agreements are found. We also proposed the potential of this approach on predicting melting of copper at very high pressure.

  2. High-pressure-high-temperature treatment of natural diamonds

    CERN Document Server

    Royen, J V


    The results are reported of high-pressure-high-temperature (HPHT) treatment experiments on natural diamonds of different origins and with different impurity contents. The diamonds are annealed in a temperature range up to 2000 sup o C at stabilizing pressures up to 7 GPa. The evolution is studied of different defects in the diamond crystal lattice. The influence of substitutional nitrogen atoms, plastic deformation and the combination of these is discussed. Diamonds are characterized at room and liquid nitrogen temperature using UV-visible spectrophotometry, Fourier transform infrared spectrophotometry and photoluminescence spectrometry. The economic implications of diamond HPHT treatments are discussed.

  3. Finite volume analysis and optimisation of a high pressure homogeniser


    Clarke, Andrew P.


    The homogeniser is a machine that is mostly used to change the appearance and rheological properties of a fluid by means of a high pressure radial gap. It can be implemented to kill off harmful bacteria and organisms as well as reduce the size of individual components or particles to increase the shelf live of many products. The homogeniser can be used to release useful organic materials from within cells or microbes. The homogeniser can be found in small scale production and large scale prod...

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

    Energy Technology Data Exchange (ETDEWEB)

    T. E. Wierman


    This report presents an unreliability evaluation of the high-pressure safety injection system (HPSI) at 69 U.S. commercial nuclear power plants. Demand, run hours, and failure data from fiscal year 1998 through 2012 for selected components were obtained from the Equipment Performance and Information Exchange (EPIX). The unreliability results are trended for the most recent 10 year period while yearly estimates for system unreliability are provided for the entire active period. No statistically significant increasing or decreasing trends were identified in the HPSI results.

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

    Energy Technology Data Exchange (ETDEWEB)

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


    This report presents an unreliability evaluation of the high-pressure core spray (HPCS) at eight U.S. commercial boiling water reactors. Demand, run hours, and failure data from fiscal year 1998 through 2013 for selected components were obtained from the Institute of Nuclear Power Operations (INPO) Consolidated Events Database (ICES). The unreliability results are trended for the most recent 10-year period, while yearly estimates for system unreliability are provided for the entire active period. No statistically significant increasing or decreasing trends were identified in the HPCS results.

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

    Energy Technology Data Exchange (ETDEWEB)

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


    This report presents an unreliability evaluation of the high-pressure coolant injection system (HPCI) at 25 U.S. commercial boiling water reactors. Demand, run hours, and failure data from fiscal year 1998 through 2013 for selected components were obtained from the Institute of Nuclear Power Operations (INPO) Consolidated Events Database (ICES). The unreliability results are trended for the most recent 10-year period, while yearly estimates for system unreliability are provided for the entire active period. No statistically significant increasing or decreasing trends were identified in the HPCI results.

  7. Primary obstructive megaureter: the role of high pressure balloon dilation. (United States)

    Romero, Rosa M; Angulo, Jose Maria; Parente, Alberto; Rivas, Susana; Tardáguila, Ana Rosa


    There is a growing interest in minimally invasive treatment of primary obstructive megaureter (POM) in children. The absence of long-term follow-up data, however, makes it difficult to establish the indication for an endoscopic approach. The aim of our study is to determine the long-term efficacy of endourologic high-pressure balloon dilation of the vesicoureteral junction (VUJ) in children with POM that necessitates surgical treatment. We retrospectively reviewed the clinical records from children with POM who were treated with endourologic high-pressure balloon dilation of the VUJ from March 2003 to April 2010. To determine the long-term, a cohort study was conducted in November 2011. Endourologic dilation of the VUJ was performed with a semicompliant high-pressure balloon (2.7 FG) with a minimum balloon size of 3 mm, followed by placement of a Double-J stent. We have treated 29 (32 renal units, left [n=16], right [n=10] and bilateral [n=3]) children with a diagnosis of POM within this period. The median age at the time of the endourologic treatment was 4.04 months (range 1.6-39 months). In three cases, an open ureteral reimplantation was needed, in two cases because of intraoperative technical failure and postoperative Double-J stent migration in one patient. The 26 children (29 renal units) who had a successful endourologic dilation of the VUJ were followed with ultrasonography and MAG-3-Lasix (furosemide) studies that showed a progressive improvement of both the ureterohydronephrosis and drainage in the first 18 months in 20 patients (23 renal units) (69%). In two patients who were treated with a 3 mm balloon, a further dilation was needed, with an excellent outcome. The cohort study (at a median follow-up of 47 months) showed that in all patients who had a good outcome at the 18-month follow-up after endourologic balloon dilation remained asymptomatic with resolution of ureterohydronephrosis on the US and good drainage on the renogram, in the children

  8. High-pressure effects on intramolecular electron transfer compounds

    CERN Document Server

    He Li Ming; Li Hong; Zhang Bao Wen; Li Yi; Yang Guo Qiang


    We explore the effect of pressure on the fluorescence spectra of the intramolecular electron transfer compound N-(1-pyrenylmethyl), N-methyl-4-methoxyaniline (Py-Am) and its model version, with poly(methyl methacrylate) blended in, at high pressure up to 7 GPa. The emission properties of Py-Am and pyrene show distinct difference with the increase of pressure. This difference indicates the strength of the charge transfer interaction resulting from the adjusting of the conformation of Py-Am with increase of pressure. The relationship between the electronic state of the molecule and pressure is discussed.

  9. A hemispherical high-pressure xenon gamma radiation spectrometer

    CERN Document Server

    Kessick, R


    A prototype hemispherical high-pressure xenon gamma radiation spectrometer was designed, constructed and tested. The detector consists of a pair of concentric hemispherical electrodes contained inside a thin-walled stainless steel pressure dome. Detector performance parameters such as energy resolution, linearity and vibration sensitivity were determined and compared to previous cylindrical and planar designs. Without a Frisch grid, the hemispherical detector provides a total room temperature energy resolution of 6% at 662 keV and is relatively insensitive to acoustic interference.

  10. High pressure water electrolysis for space station EMU recharge (United States)

    Lance, Nick; Puskar, Michael; Moulthrop, Lawrence; Zagaja, John


    A high pressure oxygen recharge system (HPORS), is being developed for application on board the Space Station. This electrolytic system can provide oxygen at up to 6000 psia without a mechanical compressor. The Hamilton standard HPORS based on a solid polymer electrolyte system is an extension of the much larger and succesful 3000 psia system of the U.S. Navy. Cell modules have been successfully tested under conditions beyond which spacecraft may encounter during launch. The control system with double redundancy and mechanical backups for all electronically controlled components is designed to ensure a safe shutdown.

  11. The Effect of pH and High-Pressure Homogenization on Droplet Size

    Directory of Open Access Journals (Sweden)

    Ah Pis Yong


    Full Text Available The aims of this study are to revisit the effect of high pressure on homogenization and the influence of pH on the emulsion droplet sizes. The high-pressure homogenization (HPH involves two stages of processing, where the first stage involves in blending the coarse emulsion by a blender, and the second stage requires disruption of the coarse emulsion into smaller droplets by a high-pressure homogenizer. The pressure range in this review is in between 10-500 MPa. The homogenised droplet sizes can be reduced by increasing the homogenization recirculation, and there is a threshold point beyond that by applying pressure only, the size cannot be further reduced. Normally, homogenised emulsions are classified by their degree of kinetic stability. Dispersed phase present in the form of droplets while continuous phase also known as suspended droplets. With a proper homogenization recirculation and pressure, a more kinetically stable emulsion can be produced. The side effects of increasing homogenization pressure are that it can cause overprocessing of the emulsion droplets where the droplet sizes become larger rather than the expected smaller size. This can cause kinetic instability in the emulsion. The droplet size is usually measured by dynamic light scattering or by laser light scattering technique. The type of samples used in this reviews are such as chocolate and vanilla based powders; mean droplet sizes samples; basil oil; tomato; lupin protein; oil; skim milk, soymilk; coconut milk; tomato homogenate; corn; egg-yolk, rapeseed and sunflower; Poly(4-vinylpyridine/silica; and Complex 1 until complex 4 approaches from author case study. A relationship is developed between emulsion size and pH. Results clearly show that lower pH offers smaller droplet of emulsion and the opposite occurs when the pH is increased.

  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 (United States)

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


    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. High-pressure study on borides, nanocrystals and negative thermal expansion materials (United States)

    Chen, Bin


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

  14. Optical properties of V1-xCrxO2 compounds under high pressure (United States)

    Marini, C.; Arcangeletti, E.; di Castro, D.; Baldassare, L.; Perucchi, A.; Lupi, S.; Malavasi, L.; Boeri, L.; Pomjakushina, E.; Conder, K.; Postorino, P.


    Raman and infrared transmission and reflectivity measurements were carried out at room temperature and high pressure (0-15 GPa) on V1-xCrxO2 compounds. Raman spectra were collected at ambient conditions on the x=0.007 and 0.025 materials, which are characterized by different insulating monoclinic phases ( M3 and M2 , respectively), while infrared spectra were collected on the x=0.025 sample only. The present data were compared with companion results on undoped VO2 [E. Arcangeletti , Phys. Rev. Lett. 98, 196406 (2007)], which is found at ambient conditions in a different, third insulating monoclinic phase, named M1 . This comparison allowed us to investigate the effects of different extents of structural distortions (Peierls distortion) on the lattice dynamics and the electronic properties of this family of compounds. The pressure dependence of the Raman spectrum of VO2 and Cr-doped samples shows that all the systems retain the monoclinic structure up to the highest explored pressure, regardless the specific monoclinic structure ( M1 , M2 , and M3 ) at ambient condition. Moreover, the Raman spectra of the two Cr-doped samples, which exhibit an anomalous behavior over the low-pressure range (P<8GPa) , merge into that of VO2 in the high-pressure regime and are all found into a common monoclinic phase (a possible fourth kind phase). Combining Raman and infrared results on both the VO2 and the present data, we found that a common metallic monoclinic phase appears accessible in the high-pressure regime at room temperature for both undoped and Cr-doped samples independently of the different extents of Peierls distortion at ambient conditions. This finding differs from the behavior observed at ambient pressure, where the metallic phase is found only in conjunction with the rutile structure. The whole of these results suggests a major role of the electron correlations, rather than of the Peierls distortion, in driving the metal-insulator transition in vanadium dioxide

  15. Thermodynamic properties of liquid sodium under high pressure (United States)

    Li, Huaming; Zhang, Xiaoxiao; Sun, Yongli; Li, Mo


    Acquiring reliable thermodynamic properties in liquid metals at high pressure and temperature is still a challenge in both experiment and theory. Equation of state (EoS) offers an alternative approach free of many of the difficulties. Here using the EoS of a power law form we obtained the thermodynamic properties of liquid sodium under pressure along the isothermal lines, including isothermal buck modulus, thermal expansion coefficient, Grüneisen parameter, and Anderson-Grüneisen parameter. The results are in excellent agreement with available experimental data measured by a piezometer at high temperature and high pressure and sound velocity measurement with pulse-echo technique. We found that the pressure derivative of the isothermal bulk modulus at zero pressure is a monotonic function of temperature and has a value around 4. In addition, unexpected crossing points were found in the isobaric thermal expansion coefficient and Grüneisen parameter; and a minimum in the isobaric heat under isothermal compression was also observed. While some of these detailed predictions are yet to be confirmed by further experiment, our results suggest that the power law form may be a more suitable choice for the EoS of liquids metals.

  16. Fabrication of Bulk Glassy Alloy Foams by High Pressure Hydrogen (United States)

    Wada, Takeshi; Inoue, Akihisa

    Porous Pd42.5Cu30Ni7.5P20 bulk glassy alloy rods with porosities of up to 70% were successfully prepared by high pressure hydrogen of 15 MPa. The melt of Pd42.5Cu30Ni7.5P20 alloy kept under high pressure hydrogen absorbs hydrogen and subsequent water quenching of the melt causes the homogeneous dispersion of hydrogen bubbles, which was resulted from the decrease of hydrogen solubility with decrease of pressure. Annealing the hydrogen bubble containing sample at a supercooled liquid state under vacuum, the bubbles are allowed to expand due to the decrease of viscosity of metallic glass matrix. Pores expansion continues until glassy matrix crystallizes or the equilibration among pressure of the pores, pressure of the atmosphere and surface tension is achieved. By utilizing these phenomena, pores up to 80 m in diameters are homogeneously distributed over the whole cross-sectional area of a fully glassy matrix. Under compressive deformation, the porous alloys with porosities exceeding 40% did not show macroscopic fracture in a wide compressive strain range up to 0.6 whereas the non-porous alloy fractures instantly after elastic limit of about 0.02. Porous bulk glassy alloys exhibit higher plateau stress, lower Young‧s modulus and higher energy absorption capacity compared with the conventional crystalline metal foams.

  17. High Pressure Angle Gears: Comparison to Typical Gear Designs (United States)

    Handschuh, Robert F.; Zabrajsek, Andrew J.


    A preliminary study has been completed to determine the feasibility of using high-pressure angle gears in aeronautic and space applications. Tests were conducted in the NASA Glenn Research Center (GRC) Spur Gear Test Facility at speeds up to 10,000 rpm and 73 N*m (648 in.*lb) for 3.18, 2.12, and 1.59 module gears (8, 12, and 16 diametral pitch gears), all designed to operate in the same test facility. The 3.18 module (8-diametral pitch), 28 tooth, 20deg pressure angle gears are the GRC baseline test specimen. Also, 2.12 module (12-diametral pitch), 42 tooth, 25deg pressure angle gears were tested. Finally 1.59 module (16-diametral pitch), 56 tooth, 35deg pressure angle gears were tested. The high-pressure angle gears were the most efficient when operated in the high-speed aerospace mode (10,000 rpm, lubricated with a synthetic turbine engine oil), and produced the lowest wear rates when tested with a perfluoroether-based grease. The grease tests were conducted at 150 rpm and 71 N*m (630 in.*lb).

  18. Iron Catalyst Chemistry in High Pressure Carbon Monoxide Nanotube Reactor (United States)

    Scott, Carl D.; Povitsky, Alexander; Dateo, Christopher; Gokcen, Tahir; Smalley, Richard E.


    The high-pressure carbon monoxide (HiPco) technique for producing single wall carbon nanotubes (SWNT) is analyzed using a chemical reaction model coupled with properties calculated along streamlines. Streamline properties for mixing jets are calculated by the FLUENT code using the k-e turbulent model for pure carbon monixide. The HiPco process introduces cold iron pentacarbonyl diluted in CO, or alternatively nitrogen, at high pressure, ca. 30 atmospheres into a conical mixing zone. Hot CO is also introduced via three jets at angles with respect to the axis of the reactor. Hot CO decomposes the Fe(CO)5 to release atomic Fe. Cluster reaction rates are from Krestinin, et aI., based on shock tube measurements. Another model is from classical cluster theory given by Girshick's team. The calculations are performed on streamlines that assume that a cold mixture of Fe(CO)5 in CO is introduced along the reactor axis. Then iron forms clusters that catalyze the formation of SWNTs from the Boudouard reaction on Fe-containing clusters by reaction with CO. To simulate the chemical process along streamlines that were calculated by the fluid dynamics code FLUENT, a time history of temperature and dilution are determined along streamlines. Alternative catalyst injection schemes are also evaluated.

  19. Inactivation of a Norovirus by High-Pressure Processing▿ (United States)

    Kingsley, David H.; Holliman, Daniel R.; Calci, Kevin R.; Chen, Haiqiang; Flick, George J.


    Murine norovirus (strain MNV-1), a propagable norovirus, was evaluated for susceptibility to high-pressure processing. Experiments with virus stocks in Dulbecco's modified Eagle medium demonstrated that at room temperature (20°C) the virus was inactivated over a pressure range of 350 to 450 MPa, with a 5-min, 450-MPa treatment being sufficient to inactivate 6.85 log10 PFU of MNV-1. The inactivation of MNV-1 was enhanced when pressure was applied at an initial temperature of 5°C; a 5-min pressure treatment of 350 MPa at 30°C inactivated 1.15 log10 PFU of virus, while the same treatment at 5°C resulted in a reduction of 5.56 log10 PFU. Evaluation of virus inactivation as a function of treatment times ranging from 0 to 150 s and 0 to 900 s at 5°C and 20°C, respectively, indicated that a decreasing rate of inactivation with time was consistent with Weibull or log-logistic inactivation kinetics. The inactivation of MNV-1 directly within oyster tissues was demonstrated; a 5-min, 400-MPa treatment at 5°C was sufficient to inactivate 4.05 log10 PFU. This work is the first demonstration that norovirus can be inactivated by high pressure and suggests good prospects for inactivation of nonpropagable human norovirus strains in foods. PMID:17142353

  20. Photoconductivity studies of the ferrocyanide ion under high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Finston, M. I.


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

  1. Ultrasonic level sensors for liquids under high pressure (United States)

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


    An ultrasonic level sensor of novel design continuously measures the level of a liquid subjected to a high pressure (up to about 40 MPa), as is sometimes required for the effective transfer of the liquid. The sensor operates as a composite resonator fabricated from a standard high-pressure plug. A flat-bottom hole is machined into the plug along its center line. An ultrasonic transducer is bonded rigidly to the interior surface of the bottom wall, while the exterior surface is in contact with the liquid. Although the bottom wall is designed to satisfy the pressure code, it is still sufficiently thin to permit ready excitation of the axisymmetric plate modes of vibration. The liquid level is measured by a conventional pulse-echo technique. A prototype sensor was tested successfully in a 2300-l water vessel at pressures up to about 37 MPa. A spectral analysis of the transmitted pulse reveals that the flexural, extensional, thickness-shear, and radial plate modes are excited into vibration, but none of these appears to be significantly affected by the pressurization of the liquid.

  2. Strong environmental tolerance of moss Venturiella under very high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Ono, F; Mori, Y; Takarabe, K [Department of Applied Science, Okayama University of Science, 1-1 Ridaicho, Okayama 700-0005 (Japan); Nishihira, N; Shindo, A [Okayama Ichinomiya High School, Okayama 700-0005 (Japan); Saigusa, M [Department of Biology, Okayama University, 3-1-1 Tsushima-Naka, Okayama 700-8530 (Japan); Matsushima, Y [Department of Physics, Okayama University, 3-1-1 Tsushima-Naka, Okayama 700-8530 (Japan); Saini, N L [Dipartimento di Fisica, Universita di Roma ' La Sapienza' , Piazzale Aldo Moro 2, 00185 Rome (Italy); Yamashita, M, E-mail: [Aerospace Exploration Agency, 3-1-1 Yoshinodai, Sagamihara, Kanagawa 229-8510 (Japan)


    It was shown by the present authors group that tardigrade can survive under high pressure of 7.5 GPa. In the case of land plants, however, no result of such experiment has been reported. We have extended our experiments to moss searching for lives under very high pressure. Spore placentas of moss Venturiella were sealed in a small Teflon capsule together with a liquid pressure medium. The capsule was put in the center of a pyrophillite cube, and the maximum pressure of 7.5 GPa was applied using a two-stage cubic anvil press. The pressure was kept constant at the maximum pressure for12, 24, 72 and 144 hours. After the pressure was released, the spores were seeded on a ager medium, and incubated for one week and more longer at 25{sup 0}C with white light of 2000 lux. It was proved that 70-90% of the spores were alive and germinated after exposed to the maximum pressure of 7.5 GPa for up to 72 hours. However, after exposed to 7.5 GPa for 6 days, only 4 individuals in a hundred were germinated. The pressure tolerance of moss Venturiella is found to be stronger than a small animal, tardigrade.

  3. Pulsed laser kinetic studies of liquids under high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Eyring, E.M.


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

  4. Thermal and high pressure inactivation kinetics of blueberry peroxidase. (United States)

    Terefe, Netsanet Shiferaw; Delon, Antoine; Versteeg, Cornelis


    This study for the first time investigated the stability and inactivation kinetics of blueberry peroxidase in model systems (McIlvaine buffer, pH=3.6, the typical pH of blueberry juice) during thermal (40-80°C) and combined high pressure-thermal processing (0.1-690MPa, 30-90°C). At 70-80°C, the thermal inactivation kinetics was best described by a biphasic model with ∼61% labile and ∼39% stable fractions at temperature between 70 and 75°C. High pressure inhibited the inactivation of the enzyme with no inactivation at pressures as high as 690MPa and temperatures less than 50°C. The inactivation kinetics of the enzyme at 60-70°C, and pressures higher than 500MPa was best described by a first order biphasic model with ∼25% labile fraction and 75% stable fraction. The activation energy values at atmospheric pressure were 548.6kJ/mol and 324.5kJ/mol respectively for the stable and the labile fractions. Crown Copyright © 2017. Published by Elsevier Ltd. All rights reserved.

  5. Microbial Evolution at High Pressure: Deep Sea and Laboratory Studies (United States)

    Bartlett, D. H.


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

  6. Microhole High-Pressure Jet Drill for Coiled Tubing

    Energy Technology Data Exchange (ETDEWEB)

    Ken Theimer; Jack Kolle


    Tempress Small Mechanically-Assisted High-Pressure Waterjet Drilling Tool project centered on the development of a downhole intensifier (DHI) to boost the hydraulic pressure available from conventional coiled tubing to the level required for high-pressure jet erosion of rock. We reviewed two techniques for implementing this technology (1) pure high-pressure jet drilling and (2) mechanically-assisted jet drilling. Due to the difficulties associated with modifying a downhole motor for mechanically-assisted jet drilling, it was determined that the pure high-pressure jet drilling tool was the best candidate for development and commercialization. It was also determined that this tool needs to run on commingled nitrogen and water to provide adequate downhole differential pressure and to facilitate controlled pressure drilling and descaling applications in low pressure wells. The resulting Microhole jet drilling bottomhole assembly (BHA) drills a 3.625-inch diameter hole with 2-inch coil tubing. The BHA consists of a self-rotating multi-nozzle drilling head, a high-pressure rotary seal/bearing section, an intensifier and a gas separator. Commingled nitrogen and water are separated into two streams in the gas separator. The water stream is pressurized to 3 times the inlet pressure by the downhole intensifier and discharged through nozzles in the drilling head. The energy in the gas-rich stream is used to power the intensifier. Gas-rich exhaust from the intensifier is conducted to the nozzle head where it is used to shroud the jets, increasing their effective range. The prototype BHA was tested at operational pressures and flows in a test chamber and on the end of conventional coiled tubing in a test well. During instrumented runs at downhole conditions, the BHA developed downhole differential pressures of 74 MPa (11,000 psi, median) and 90 MPa (13,000 psi, peaks). The median output differential pressure was nearly 3 times the input differential pressure available from the

  7. Extraction of vanadium from vanadium slag by high pressure oxidative acid leaching (United States)

    Zhang, Guo-quan; Zhang, Ting-an; Lü, Guo-zhi; Zhang, Ying; Liu, Yan; Liu, Zhuo-lin


    To extract vanadium in an environment friendly manner, this study focuses on the process of leaching vanadium from vanadium slag by high pressure oxidative acid leaching. Characterizations of the raw slag, mineralogy transformation, and the form of leach residues were made by X-ray diffraction, scanning electron microscopy, and energy dispersive X-ray spectroscopy. The result shows that the vanadium slag is composed of major phases of fayalite, titanomagnetite, and spinel. During the high pressure oxidative acid leaching process, the fayalite and spinel phases are gradually decomposed by sulfuric acid, causing the release of vanadium and iron in the solution. Meanwhile, unreacted silicon and titanium are enriched in the leach residues. With the initial concentration of sulfuric acid at 250 g·L-1, a leaching temperature of 140°C, a leaching time of 50 min, a liquid-solid ratio of 10:1 mL·g-1, and oxygen pressure at 0.2 MPa, the leaching rate of vanadium reaches 97.69%.

  8. The mechanical, electronic and optical properties of KH under high pressure: a density functional theory study (United States)

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


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

  9. Insulator-metal transitions and superconductivity in solids at high pressures (United States)

    Dias, Ranga


    Under high pressure, simple molecular solids transform into non-molecular (extended) solids as compression energies approach the energies of strong covalent bonds in constituent chemical species. As a result, it is common to observe the transformation of molecular solids into more compact extended structures with more itinerant electrons, which softens repulsive interatomic interactions at high density. This allows exotic properties to be tuned, such as mechanical strength, nonlinear second harmonic optical properties, electric and optical conductivites, and magnetic properties of condensed-matter systems. Carbon dioxide, for example, exhibits a richness of high-pressure polymorphs with a great diversity in intermolecular interaction, chemical bonding, and crystal structures. Thus, group IV sulfides, in comparison with their chemical analog CO2, provide opportunities to exploit the relationship between the structural phase transition, electronic metallization, and superconductivity. We present integrated spectral, structural, resistance, and theoretical evidence for several systems of simple molecular group IV sulfides that undergo pressure-induced electronic phase transitions to novel metallic, magnetically ordered, and/or superconducting states. The work has been performed in support of NSF-DMR (Grant No. 0854618 and 1203834).

  10. Recent advances in high pressure neutron scattering at the Spallation Neutron Source at Oak Ridge National Laboratory (United States)

    Tulk, C.; dos Santos, A.; Klug, D.; Guthrie, M.; Machida, S.; Molaison, J.


    There have been significant improvements in the operation of the high pressure diffractometer, SNAP, at the Spallation Neutron Source over the past two years. This talk will highlight the current capacities which include low temperature systems, high temperature systems, and the introduction of new pressure cell technology that is based on supported diamond anvils and, with advances in software, is particularly suited for powder diffraction. Specific examples of our recent research will focus on high pressure transitions in hydrogen bonded systems such as methane and CO2 hydrate. The high pressure hexagonal phase of methane hydrate is studied to determine the nature of the hydrate cage loading, this provides detailed experimental data that will lead to better intermolecular potentials for methane - methane interactions, particularly when methane molecules are in close contact and strongly repelling. The high pressure structural systematics of carbon dioxide hydrate is reported. While the structural transformation sequence of most hydrates progress from sI (or sII) to the hexagonal form then to a flied ice structure, CO2 hydrate is an example of a system that skips the hexagonal phase and transforms directly into the filled ice structure. Finally examples of using SNAP to study disorder in amorphous systems will be given. Particularly amorphous vapor co-deposits of water, known as amorphous solid water, and clathrate forming molecules such as CO2, and the structural response of these systems to increased pressure at low temperature.

  11. Structural polymorphism in multiferroic BiMnO{sub 3} at high pressures and temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Kozlenko, D.P. [Frank Laboratory of Neutron Physics, JINR, 141980 Dubna (Russian Federation); Dang, N.T. [Frank Laboratory of Neutron Physics, JINR, 141980 Dubna (Russian Federation); Tula State University, Department of Natural Sciences, 300600 Tula (Russian Federation); Jabarov, S.H. [Frank Laboratory of Neutron Physics, JINR, 141980 Dubna (Russian Federation); Institute of Physics, ANAS, Baku, AZ 1143 (Azerbaijan); Belik, A.A. [International Center for Materials Nanoarchitectonics (MANA), National Institute for Materials Science (NIMS), 1-1 Namiki, Tsukuba, Ibaraki 305-0044 (Japan); Kichanov, S.E., E-mail: [Frank Laboratory of Neutron Physics, JINR, 141980 Dubna (Russian Federation); Lukin, E.V. [Frank Laboratory of Neutron Physics, JINR, 141980 Dubna (Russian Federation); Lathe, C. [Helmholtz Centre Potsdam, Telegrafenberg, 14473 Potsdam (Germany); Dubrovinsky, L.S. [Bayerisches Geoinstitute, University Bayreuth, D-95440 Bayreuth (Germany); Kazimirov, V.Yu. [Frank Laboratory of Neutron Physics, JINR, 141980 Dubna (Russian Federation); Smirnov, M.B. [Saint-Petersburg State University, Department of Physics, 194508 St-Petersburg (Russian Federation); Savenko, B.N. [Frank Laboratory of Neutron Physics, JINR, 141980 Dubna (Russian Federation); Mammadov, A.I. [Institute of Physics, ANAS, Baku, AZ 1143 (Azerbaijan); Takayama-Muromachi, E. [International Center for Materials Nanoarchitectonics (MANA), National Institute for Materials Science (NIMS), 1-1 Namiki, Tsukuba, Ibaraki 305-0044 (Japan); Khiem, L.H. [Institute of Physics, Vietnam Academy of Science and Technology, 10000 Hanoi (Viet Nam)


    Highlights: • The detailed P–T phase diagram of BiMnO{sub 3} was established. • We found three monoclinic modifications of BiMnO{sub 3} at pressure and temperature. • A suppression of monoclinic C2/c phase have been observed under pressure. • We found a new orthorhombic Imma phase of BiMnO{sub 3} at P > 20 GPa. -- Abstract: Structural phase transitions in BiMnO{sub 3} were studied by means of energy-dispersive X-ray diffraction in the pressure 0–4 GPa and temperature 300–900 K ranges, and also by means of angle-dispersive X-ray diffraction and Raman spectroscopy at high pressures up to 50 GPa and ambient temperature. The P–T phase diagram of BiMnO{sub 3} was constructed. A suppression of the transition temperatures between monoclinic C2/c and orthorhombic Pnma phases was observed under pressure. The temperature and pressure dependencies of lattice parameters were obtained. A new orthorhombic Imma phase was observed at P > 20 GPa. The lattice dynamics calculations were performed for the analysis of the Raman spectra of BiMnO{sub 3}.

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

    Directory of Open Access Journals (Sweden)

    Qun Wei


    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.

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

    Energy Technology Data Exchange (ETDEWEB)

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


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

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

    Energy Technology Data Exchange (ETDEWEB)

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


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

  15. High pressure stability of the monosilicides of cobalt and the platinum group elements

    Energy Technology Data Exchange (ETDEWEB)

    Hernandez, J.A., E-mail: [Laboratoire de géologie de Lyon, CNRS UMR 5276, École Normale Supérieure de Lyon, Université Claude Bernard Lyon 1, 46 Allée d’Italie, 69364 Lyon Cedex 07 (France); Vočadlo, L.; Wood, I.G. [Department of Earth Sciences, University College London, WC1E 6BT (United Kingdom)


    Highlights: • We model the high-pressure phases of cobalt- and platinum-group-monosilicides. • CoSi, RuSi, OsSi transform with pressure from the ε-FeSi to the CsCl structure. • RhSi and IrSi transform with pressure from the MnP structure to the ε-FeSi structure. • PdSi and PtSi transform with pressure from the MnP structure to the CuTi structure. - Abstract: The high pressure stability of CoSi, RuSi, RhSi, PdSi, OsSi, IrSi and PtSi was investigated by static first-principles calculations up to 300 GPa at 0 K. As found experimentally, at atmospheric pressure, CoSi, RuSi and OsSi were found to adopt the cubic ε-FeSi structure (P2{sub 1}3) whereas RhSi, PdSi, IrSi and PtSi were found to adopt the orthorhombic MnP (Pnma) structure. At high pressure, CoSi, RuSi and OsSi show a phase transition to the CsCl structure (Pm3{sup ¯}m) structure at 270 GPa, 7 GPa and 6 GPa respectively. RhSi and IrSi were found to transform to an ε-FeSi structure at 10 GPa and 25 GPa. For PdSi and PtSi, a transformation from the MnP structure to the tetragonal CuTi structure (P4/nmm) occurs at 13 GPa and 20 GPa. The pressure dependence of the electronic density of states reveals that RuSi and OsSi are semiconductors in the ε-FeSi structure and become metallic in the CsCl structure. RhSi and IrSi are metals in the MnP structure and become semimetals in their high pressure ε-FeSi form. CoSi in the ε-FeSi configuration is a semimetal. PdSi and PtSi remain metallic throughout up to 300 GPa.

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

    Energy Technology Data Exchange (ETDEWEB)

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


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

  17. High-pressure Raman study of microcrystalline WO3 tungsten oxide (United States)

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


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

  18. Electrical resistance measurement in lithium under high pressure and low temperature

    CERN Document Server

    Shimizu, K; Amaya, K


    Lithium is known as a 'simple metal' and the lightest alkaline metal in the periodic table. At ambient pressure lithium forms a body-centred-cubic structure and the conduction electrons are considered to be almost free from interaction with the atomic core. However, Neaton and Ashcroft (Neaton J B and Ashcroft N W 1999 Nature 400 141) predicted that dense lithium at around 100 GPa will be found to transform to a low-symmetry phase and show a semi-metallic behaviour, in their calculation. Recently Hanfland et al (Hanfland M, Syassen K, Christensen N E and Novikov D L 2000 Nature 408 174) reported the experimental behaviour of the existence of new high-pressure phase of lithium above 40 GPa which tends towards symmetry-breaking transitions. Here we report electrical resistance measurements on lithium performed at pressures up to 35 GPa at the temperature of 80 K.

  19. Electrical resistance measurement in lithium under high pressure and low temperature

    Energy Technology Data Exchange (ETDEWEB)

    Shimizu, K [Graduate School of Engineering Science, Osaka University, Toyonaka, Osaka 560-8531 (Japan); Ishikawa, H [Graduate School of Engineering Science, Osaka University, Toyonaka, Osaka 560-8531 (Japan); Amaya, K [Graduate School of Engineering Science, Osaka University, Toyonaka, Osaka 560-8531 (Japan)


    Lithium is known as a 'simple metal' and the lightest alkaline metal in the periodic table. At ambient pressure lithium forms a body-centred-cubic structure and the conduction electrons are considered to be almost free from interaction with the atomic core. However, Neaton and Ashcroft (Neaton J B and Ashcroft N W 1999 Nature 400 141) predicted that dense lithium at around 100 GPa will be found to transform to a low-symmetry phase and show a semi-metallic behaviour, in their calculation. Recently Hanfland et al (Hanfland M, Syassen K, Christensen N E and Novikov D L 2000 Nature 408 174) reported the experimental behaviour of the existence of new high-pressure phase of lithium above 40 GPa which tends towards symmetry-breaking transitions. Here we report electrical resistance measurements on lithium performed at pressures up to 35 GPa at the temperature of 80 K.

  20. Topological Dirac line nodes and superconductivity coexist in SnSe at high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Xuliang; Lu, Pengchao; Wang, Xuefei; Zhou, Yonghui; An, Chao; Zhou, Ying; Xian, Cong; Gao, Hao; Guo, Zhaopeng; Park, Changyong; Hou, Binyang; Peng, Kunling; Zhou, Xiaoyuan; Sun, Jian; Xiong, Yimin; Yang, Zhaorong; Xing, Dingyu; Zhang, Yuheng


    We report on the discovery of a pressure-induced topological and superconducting phase of SnSe, a material which attracts much attention recently due to its superior thermoelectric properties. In situ high-pressure electrical transport and synchrotron x-ray diffraction measurements show that the superconductivity emerges along with the formation of a CsCl-type structural phase of SnSe above around 27 GPa, with a maximum critical temperature of 3.2 K at 39 GPa. Based on ab initio calculations, this CsCl-type SnSe is predicted to be a Dirac line-node (DLN) semimetal in the absence of spin-orbit coupling, whose DLN states are protected by the coexistence of time-reversal and inversion symmetries. These results make CsCl-type SnSe an interesting model platform with simple crystal symmetry to study the interplay of topological physics and superconductivity.