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Sample records for high-pressure superconducting polymorph

  1. High pressure studies of superconductivity

    NASA Astrophysics Data System (ADS)

    Hillier, Narelle Jayne

    Superconductivity has been studied extensively since it was first discovered over 100 years ago. High pressure studies, in particular, have been vital in furthering our understanding of the superconducting state. Pressure allows researchers to enhance the properties of existing superconductors, to find new superconductors, and to test the validity of theoretical models. This thesis presents a series of high pressure measurements performed in both He-gas and diamond anvil cell systems on various superconductors and on materials in which pressure-induced superconductivity has been predicted. Under pressure the alkali metals undergo a radical departure from the nearly-free electron model. In Li this leads to a superconducting transition temperature that is among the highest of the elements. All alkali metals have been predicted to become superconducting under pressure. Pursuant to this, a search for superconductivity has been conducted in the alkali metals Na and K. In addition, the effect of increasing electron concentration on Li1-xMgx alloys has been studied. Metallic hydrogen and hydrogen-rich compounds are believed to be good candidates for high temperature superconductivity. High pressure optical studies of benzene (C6H6) have been performed to 2 Mbar to search for pressure-induced metallization. Finally, cuprate and iron-based materials are considered high-Tc superconductors. These layered compounds exhibit anisotropic behavior under pressure. Precise hydrostatic measurements of dTc/dP on HgBa2CuO 4+delta have been carried out in conjunction with uniaxial pressure experiments by another group. The results obtained provide insight into the effect of each of the lattice parameters on Tc. Finally, a series of hydrostatic and non-hydrostatic measurements on LnFePO (Ln = La, Pr, Nd) reveal startling evidence that the superconducting state in the iron-based superconductors is highly sensitive to lattice strain.

  2. Magnetic and Superconducting Materials at High Pressures

    SciTech Connect

    Struzhkin, Viktor V.

    2015-03-24

    The work concentrates on few important tasks in enabling techniques for search of superconducting compressed hydrogen compounds and pure hydrogen, investigation of mechanisms of high-Tc superconductivity, and exploring new superconducting materials. Along that route we performed several challenging tasks, including discovery of new forms of polyhydrides of alkali metal Na at very high pressures. These experiments help us to establish the experimental environment that will provide important information on the high-pressure properties of hydrogen-rich compounds. Our recent progress in RIXS measurements opens a whole field of strongly correlated 3d materials. We have developed a systematic approach to measure major electronic parameters, like Hubbard energy U, and charge transfer energy Δ, as function of pressure. This technique will enable also RIXS studies of magnetic excitations in iridates and other 5d materials at the L edge, which attract a lot of interest recently. We have developed new magnetic sensing technique based on optically detected magnetic resonance from NV centers in diamond. The technique can be applied to study superconductivity in high-TC materials, to search for magnetic transitions in strongly correlated and itinerant magnetic materials under pressure. Summary of Project Activities; development of high-pressure experimentation platform for exploration of new potential superconductors, metal polyhydrides (including newly discovered alkali metal polyhydrides), and already known superconductors at the limit of static high-pressure techniques; investigation of special classes of superconducting compounds (high-Tc superconductors, new superconducting materials), that may provide new fundamental knowledge and may prove important for application as high-temperature/high-critical parameter superconductors; investigation of the pressure dependence of superconductivity and magnetic/phase transformations in 3d transition metal compounds, including

  3. Superconducting high-pressure phases of disilane.

    PubMed

    Jin, Xilian; Meng, Xing; He, Zhi; Ma, Yanming; Liu, Bingbing; Cui, Tian; Zou, Guangtian; Mao, Ho-Kwang

    2010-06-01

    High-pressure structures of disilane (Si(2)H(6)) are investigated extensively by means of first-principles density functional theory and a random structure-searching method. Three metallic structures with P-1, Pm-3m, and C2/c symmetries are found, which are more stable than those of XY(3)-type candidates under high pressure. Enthalpy calculations suggest a remarkably wide decomposition (Si and H(2)) pressure range below 135 GPa, above which three metallic structures are stable. Perturbative linear-response calculations for Pm-3m disilane at 275 GPa show a large electron-phonon coupling parameter lambda of 1.397 and the resulting superconducting critical temperature beyond the order of 10(2) K. PMID:20479272

  4. Superconducting high-pressure phases of disilane

    PubMed Central

    Jin, Xilian; Meng, Xing; He, Zhi; Ma, Yanming; Liu, Bingbing; Cui, Tian; Zou, Guangtian; Mao, Ho-kwang

    2010-01-01

    High-pressure structures of disilane (Si2H6) are investigated extensively by means of first-principles density functional theory and a random structure-searching method. Three metallic structures with P-1, Pm-3m, and C2/c symmetries are found, which are more stable than those of XY3-type candidates under high pressure. Enthalpy calculations suggest a remarkably wide decomposition (Si and H2) pressure range below 135 GPa, above which three metallic structures are stable. Perturbative linear-response calculations for Pm-3m disilane at 275 GPa show a large electron-phonon coupling parameter λ of 1.397 and the resulting superconducting critical temperature beyond the order of 102 K. PMID:20479272

  5. High pressure superconducting radial magnetic bearing

    NASA Technical Reports Server (NTRS)

    Eyssa, Y. M.; Huang, X.

    1990-01-01

    In a conventional radial magnetic bearing, the rotor (soft magnetic material) can only have attraction force from one of the electromagnets in the stator. The stator electromagnets consist of small copper windings with a soft magnetic material iron yoke. The maximum pressure obtainable is about 200 N/sq cm. It is shown that replacing the stator copper winding by a superconducting winding in the above configuration can increase the pressure to about 1000 N/sq cm. It is also shown that replacing the iron in the rotor by a group of superconducting windings in persistent mode and using a group of saddle coils in the stator can produce a pressure in excess of 2000 N/sq cm.

  6. Superconductivity in the metallic elements at high pressures

    NASA Astrophysics Data System (ADS)

    Hamlin, J. J.

    2015-07-01

    Although the highest superconducting critical temperature, Tc , found in an elemental solid at ambient pressure is 9.2 K (niobium), under the application of ultra-high pressures, several elements exhibit Tc values near or above 20 K. This review includes a survey of the occurrence and understanding of pressure-induced superconductivity in the subset of elements that are metallic at ambient pressure. A particular focus is directed towards those elements that display the highest superconducting critical temperatures or exhibit substantial increases in Tc with pressure. A separate article in this issue by Shimizu will cover pressure-induced superconductivity in elements that are insulating at ambient pressure.

  7. High-pressure polymorphism of acetylsalicylic acid (aspirin): Raman spectroscopy

    NASA Astrophysics Data System (ADS)

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

    2015-02-01

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

  8. Superconductive sodalite-like clathrate calcium hydride at high pressures

    PubMed Central

    Wang, Hui; Tse, John S.; Tanaka, Kaori; Iitaka, Toshiaki; Ma, Yanming

    2012-01-01

    Hydrogen-rich compounds hold promise as high-temperature superconductors under high pressures. Recent theoretical hydride structures on achieving high-pressure superconductivity are composed mainly of H2 fragments. Through a systematic investigation of Ca hydrides with different hydrogen contents using particle-swam optimization structural search, we show that in the stoichiometry CaH6 a body-centered cubic structure with hydrogen that forms unusual “sodalite” cages containing enclathrated Ca stabilizes above pressure 150 GPa. The stability of this structure is derived from the acceptance by two H2 of electrons donated by Ca forming an “H4” unit as the building block in the construction of the three-dimensional sodalite cage. This unique structure has a partial occupation of the degenerated orbitals at the zone center. The resultant dynamic Jahn–Teller effect helps to enhance electron–phonon coupling and leads to superconductivity of CaH6. A superconducting critical temperature (Tc) of 220–235 K at 150 GPa obtained from the solution of the Eliashberg equations is the highest among all hydrides studied thus far. PMID:22492976

  9. Density and elasticity of superconducting niobium nitride under high pressure

    NASA Astrophysics Data System (ADS)

    Zou, Y.; Li, B.; Wang, X.; Chen, T.

    2013-12-01

    Hard superconducting materials are of considerable interest for specific electronic applications. Transition-metal (TM) nitrides have increasingly attracted attention because of their outstanding mechanical, optoelectronic, thermal, magnetic and/or superconducting properties and potential usage in a variety of technological areas, such as NbN exploited in superconducting and high hardness coatings. Previous hardness measurements on NbN by Vickers indentation method reported a Vickers hardness about 20 GPa and its bulk modulus was found close to that of cubic boron nitride. In addition, experimental studies and first-principles calculations have investigated the equation-of-state (EOS) for B1 structured NbN and provided important insights into the origin of its outstanding mechanical properties. In spite of its importance, to date, the high-pressure behavior and elastic properties of NbN are not well studied experimentally, in particular for the shear properties under pressure. In this study, we hot-pressed high quality (well-sintered, free of cracks, small grain size and homogeneous) polycrystalline NbN specimens and performed simultaneous measurements of compressional and shear wave travel times using ultrasonic interferometry techniques up to ~12 GPa at room temperature in a large-volume high-pressure apparatus. By fitting these experimental data to finite strain equations, the compressional and shear wave velocities, density, and the bulk and shear moduli as a function of pressure are all obtained. These new data not only allow us to compare with previous EOS data on NbN and those of other transition metal nitrides, but also enable us to further explore the constitutive relations between elastic moduli and hardness in these nitrides.

  10. High-pressure structures of disilane and their superconducting properties.

    PubMed

    Flores-Livas, José A; Amsler, Maximilian; Lenosky, Thomas J; Lehtovaara, Lauri; Botti, Silvana; Marques, Miguel A L; Goedecker, Stefan

    2012-03-16

    A systematic ab initio search for low-enthalpy phases of disilane (Si2H6) at high pressures was performed based on the minima hopping method. We found a novel metallic phase of disilane with Cmcm symmetry, which is enthalpically more favorable than the recently proposed structures of disilane up to 280 GPa, but revealing compositional instability below 190 GPa. The Cmcm phase has a moderate electron-phonon coupling yielding a superconducting transition temperature T(c) of around 20 K at 100 GPa, decreasing to 13 K at 220 GPa. These values are significantly smaller than previously predicted T(c))s for disilane at equivalent pressure. This shows that similar but different crystalline structures of a material can result in dramatically different T(c)'s and stresses the need for a systematic search for a crystalline ground state. PMID:22540502

  11. High-Pressure Structures of Disilane and Their Superconducting Properties

    NASA Astrophysics Data System (ADS)

    Flores-Livas, José A.; Amsler, Maximilian; Lenosky, Thomas J.; Lehtovaara, Lauri; Botti, Silvana; Marques, Miguel A. L.; Goedecker, Stefan

    2012-03-01

    A systematic ab initio search for low-enthalpy phases of disilane (Si2H6) at high pressures was performed based on the minima hopping method. We found a novel metallic phase of disilane with Cmcm symmetry, which is enthalpically more favorable than the recently proposed structures of disilane up to 280 GPa, but revealing compositional instability below 190 GPa. The Cmcm phase has a moderate electron-phonon coupling yielding a superconducting transition temperature Tc of around 20 K at 100 GPa, decreasing to 13 K at 220 GPa. These values are significantly smaller than previously predicted Tc’s for disilane at equivalent pressure. This shows that similar but different crystalline structures of a material can result in dramatically different Tc’s and stresses the need for a systematic search for a crystalline ground state.

  12. Water in Olivine and its High-Pressure Polymorphs

    NASA Astrophysics Data System (ADS)

    Thomas, S. M.; Jacobsen, S. D.; Bina, C. R.; Reichart, P.; Moser, M.; Dollinger, G.; Hauri, E. H.

    2014-12-01

    Theory and high-pressure experiments imply a significant water storage capacity of nominally anhydrous minerals (NAMs), such as olivine, wadsleyite and ringwoodite, composing the Earth's upper mantle and transition zone to a depth of 660 km. The presence of water, dissolved as OH into such nominally anhydrous high-pressure silicates, notably influences phase relations, melting behavior, conductivity, elasticity, viscosity and rheology. The first direct evidence for hydration of the transition zone has recently been reported by Pearson et al. (2014) and Schmandt et al. (2014). Knowledge of absolute water contents in NAMs is essential for modeling the Earth's interior water cycle. To take advantage of IR spectroscopy as highly sensitive water quantification tool, mineral-specific absorption coefficients are required. Such calibration constants can be derived from hydrogen concentrations determined by independent techniques, such as secondary ion mass spectrometry (SIMS), Raman spectroscopy or proton-proton(pp)-scattering. Broad beam pp-scattering has been performed on double-polished mm-sized mineral platelets (Thomas et al. 2008), but until recently analysis was not feasible for smaller samples synthetized in high-pressure apparati. Here we present first results from pp-scattering microscopy studies on μm-sized single crystals of hydrous olivine, wadsleyite and ringwoodite, which were synthesized at various pressure-temperature conditions in a multi-anvil press. The method allows us to quantify 3D distributions of atomic hydrogen in μm dimensions. These self-calibrating measurements were carried out at the nuclear microprobe SNAKE at the Munich tandem accelerator lab using a 25 MeV proton microbeam. We provide hydrogen depth-profiles, hydrogen maps and H2O concentrations. Pp-scattering data and results from independent Raman and SIMS analyses are in good agreement. Water contents for a set of high-pressure polymorphs with varying Fe-concentrations range from 0

  13. High-Pressure Polymorph of NaBiO3.

    PubMed

    Naa, Octavianti; Kumada, Nobuhiro; Miura, Akira; Takei, Takahiro; Azuma, Masaki; Kusano, Yoshihiro; Oka, Kengo

    2016-06-20

    A new high-pressure polymorph of NaBiO3 (hereafter β-NaBiO3) was synthesized under the conditions of 6 GPa and 600 °C. The powder X-ray diffraction pattern of this new phase was indexed with a hexagonal cell of a = 9.968(1) Å and c = 3.2933(4) Å. Crystal structure refinement using synchrotron powder X-ray diffraction data led to RWP = 8.53% and RP = 5.55%, and the crystal structure was closely related with that of Ba2SrY6O12. No photocatalytic activity for phenol decomposition was observed under visible-light irradiation in spite of a good performance for its mother compound, NaBiO3. The optical band-gap energy of β-NaBiO3 was narrower than that of NaBiO3, which was confirmed with density of states curves simulated by first-principles density functional theory calculation. PMID:27243818

  14. On the high-pressure superconducting phase in platinum hydride

    NASA Astrophysics Data System (ADS)

    Szczȩśniak, D.; Zemła, T. P.

    2015-08-01

    Motivated by the ambiguous experimental data for the superconducting phase in silane (SiH4), which may originate from platinum hydride (PtH), we provide a theoretical study of the superconducting state in the latter alloy. The quantitative estimates of the thermodynamics of PtH at 100 GPa are given for a wide range of Coulomb pseudopotential values ({μ }*) within the Eliashberg formalism. The obtained critical temperature value ({T}{{C}}\\in < 12.94,20.01> for {μ }*\\in < 0.05,0.15> ) agrees well with the experimental TC for SiH4, which may be ascribed to PtH. Moreover, the calculated characteristic thermodynamic ratios exceed the predictions of the Bardeen-Cooper-Schrieffer theory, implying the occurrence of strong-coupling and retardation effects in PtH. We note that our results may be of high relevance for future theoretical and experimental studies on hydrides.

  15. Superconducting state in bromium halide at high pressure

    NASA Astrophysics Data System (ADS)

    Szczȩśniak, R.; Zemła, T. P.; Szczȩśniak, D.

    2016-08-01

    The thermodynamic properties of the superconducting state in bromium halide (HBr) compound have been analyzed in the framework of the Eliashberg formalism. In particular, for the range of the pressure (p) from 140 GPa to 200 GPa, it has been shown that the critical temperature increases significantly: TC(p) ∈ < 28.8 , 55.1 > K, whereas the Coulomb pseudopotential (μ⋆) is equal to 0.1. Together with the increase of p, the values of the thermodynamic parameters such as: the ratio of the energy gap at the temperature of zero Kelvin to the critical temperature (RΔ ≡ 2 Δ (0) /kB TC), the ratio of the specific heat jump at the critical temperature to the electronic specific heat of the normal state (RC ≡ ΔC (TC) /CN (TC)), and the ratio related to the thermodynamic critical field (RH ≡TC CN (TC) / HC2 (0)) increasingly deviate from the predictions of the BCS model: RΔ(p) ∈ < 3.79 , 4.05 >, RC(p) ∈ < 1.94 , 2.27 >, and RH(p) ∈ < 0.157 , 0.147 >. It should be noted that the increase of μ⋆ visibly lowers TC and significantly reduces the difference between the results of the Eliashberg and BCS theory.

  16. Combined crystal structure prediction and high-pressure crystallization in rational pharmaceutical polymorph screening

    NASA Astrophysics Data System (ADS)

    Neumann, M. A.; van de Streek, J.; Fabbiani, F. P. A.; Hidber, P.; Grassmann, O.

    2015-07-01

    Organic molecules, such as pharmaceuticals, agro-chemicals and pigments, frequently form several crystal polymorphs with different physicochemical properties. Finding polymorphs has long been a purely experimental game of trial-and-error. Here we utilize in silico polymorph screening in combination with rationally planned crystallization experiments to study the polymorphism of the pharmaceutical compound Dalcetrapib, with 10 torsional degrees of freedom one of the most flexible molecules ever studied computationally. The experimental crystal polymorphs are found at the bottom of the calculated lattice energy landscape, and two predicted structures are identified as candidates for a missing, thermodynamically more stable polymorph. Pressure-dependent stability calculations suggested high pressure as a means to bring these polymorphs into existence. Subsequently, one of them could indeed be crystallized in the 0.02 to 0.50 GPa pressure range and was found to be metastable at ambient pressure, effectively derisking the appearance of a more stable polymorph during late-stage development of Dalcetrapib.

  17. Anomalous anisotropic compression behavior of superconducting CrAs under high pressure

    PubMed Central

    Yu, Zhenhai; Wu, Wei; Hu, Qingyang; Zhao, Jinggeng; Li, Chunyu; Yang, Ke; Cheng, Jinguang; Luo, Jianlin; Wang, Lin; Mao, Ho-kwang

    2015-01-01

    CrAs was observed to possess the bulk superconductivity under high-pressure conditions. To understand the superconducting mechanism and explore the correlation between the structure and superconductivity, the high-pressure structural evolution of CrAs was investigated using the angle-dispersive X-ray diffraction (XRD) method. The structure of CrAs remains stable up to 1.8 GPa, whereas the lattice parameters exhibit anomalous compression behaviors. With increasing pressure, the lattice parameters a and c both demonstrate a nonmonotonic change, and the lattice parameter b undergoes a rapid contraction at ∼0.18−0.35 GPa, which suggests that a pressure-induced isostructural phase transition occurs in CrAs. Above the phase transition pressure, the axial compressibilities of CrAs present remarkable anisotropy. A schematic band model was used to address the anomalous compression behavior of CrAs. The present results shed light on the structural and related electronic responses to high pressure, which play a key role toward understanding the superconductivity of CrAs. PMID:26627230

  18. High pressure polymorphs and amorphization of upconversion host material NaY(WO4)2

    NASA Astrophysics Data System (ADS)

    Hong, Fang; Yue, Binbin; Cheng, Zhenxiang; Kunz, Martin; Chen, Bin; Mao, Ho-Kwang

    2016-07-01

    The pressure effect on the structural change of upconversion host material NaY(WO4)2 was studied by using in-situ synchrotron X-ray diffraction. A transition from the initial scheelite phase to the M-fergusonite phase occurs near 10 GPa, and another phase transition is found near 27.5 GPa, which could be an isostructural transition without symmetry change. The sample becomes amorphous when the pressure is fully released from high pressure. This work demonstrates the possibility of synthesizing various polymorph structures for non-linear optical applications with a high pressure, chemical doping, or strained thin-film nanostructure process.

  19. Combined crystal structure prediction and high-pressure crystallization in rational pharmaceutical polymorph screening.

    PubMed

    Neumann, M A; van de Streek, J; Fabbiani, F P A; Hidber, P; Grassmann, O

    2015-01-01

    Organic molecules, such as pharmaceuticals, agro-chemicals and pigments, frequently form several crystal polymorphs with different physicochemical properties. Finding polymorphs has long been a purely experimental game of trial-and-error. Here we utilize in silico polymorph screening in combination with rationally planned crystallization experiments to study the polymorphism of the pharmaceutical compound Dalcetrapib, with 10 torsional degrees of freedom one of the most flexible molecules ever studied computationally. The experimental crystal polymorphs are found at the bottom of the calculated lattice energy landscape, and two predicted structures are identified as candidates for a missing, thermodynamically more stable polymorph. Pressure-dependent stability calculations suggested high pressure as a means to bring these polymorphs into existence. Subsequently, one of them could indeed be crystallized in the 0.02 to 0.50 GPa pressure range and was found to be metastable at ambient pressure, effectively derisking the appearance of a more stable polymorph during late-stage development of Dalcetrapib. PMID:26198974

  20. Combined crystal structure prediction and high-pressure crystallization in rational pharmaceutical polymorph screening

    PubMed Central

    Neumann, M. A.; van de Streek, J.; Fabbiani, F. P. A.; Hidber, P.; Grassmann, O.

    2015-01-01

    Organic molecules, such as pharmaceuticals, agro-chemicals and pigments, frequently form several crystal polymorphs with different physicochemical properties. Finding polymorphs has long been a purely experimental game of trial-and-error. Here we utilize in silico polymorph screening in combination with rationally planned crystallization experiments to study the polymorphism of the pharmaceutical compound Dalcetrapib, with 10 torsional degrees of freedom one of the most flexible molecules ever studied computationally. The experimental crystal polymorphs are found at the bottom of the calculated lattice energy landscape, and two predicted structures are identified as candidates for a missing, thermodynamically more stable polymorph. Pressure-dependent stability calculations suggested high pressure as a means to bring these polymorphs into existence. Subsequently, one of them could indeed be crystallized in the 0.02 to 0.50 GPa pressure range and was found to be metastable at ambient pressure, effectively derisking the appearance of a more stable polymorph during late-stage development of Dalcetrapib. PMID:26198974

  1. Superconducting H5S2 phase in sulfur-hydrogen system under high-pressure.

    PubMed

    Ishikawa, Takahiro; Nakanishi, Akitaka; Shimizu, Katsuya; Katayama-Yoshida, Hiroshi; Oda, Tatsuki; Suzuki, Naoshi

    2016-01-01

    Recently, hydrogen sulfide was experimentally found to show the high superconducting critical temperature (Tc) under high-pressure. The superconducting Tc shows 30-70 K in pressure range of 100-170 GPa (low-Tc phase) and increases to 203 K, which sets a record for the highest Tc in all materials, for the samples annealed by heating it to room temperature at pressures above 150 GPa (high-Tc phase). Here we present a solid H5S2 phase predicted as the low-Tc phase by the application of the genetic algorithm technique for crystal structure searching and first-principles calculations to sulfur-hydrogen system under high-pressure. The H5S2 phase is thermodynamically stabilized at 110 GPa, in which asymmetric hydrogen bonds are formed between H2S and H3S molecules. Calculated Tc values show 50-70 K in pressure range of 100-150 GPa within the harmonic approximation, which can reproduce the experimentally observed low-Tc phase. These findings give a new aspect of the excellent superconductivity in compressed sulfur-hydrogen system. PMID:26983593

  2. Superconducting H5S2 phase in sulfur-hydrogen system under high-pressure

    NASA Astrophysics Data System (ADS)

    Ishikawa, Takahiro; Nakanishi, Akitaka; Shimizu, Katsuya; Katayama-Yoshida, Hiroshi; Oda, Tatsuki; Suzuki, Naoshi

    2016-03-01

    Recently, hydrogen sulfide was experimentally found to show the high superconducting critical temperature (Tc) under high-pressure. The superconducting Tc shows 30–70 K in pressure range of 100–170 GPa (low-Tc phase) and increases to 203 K, which sets a record for the highest Tc in all materials, for the samples annealed by heating it to room temperature at pressures above 150 GPa (high-Tc phase). Here we present a solid H5S2 phase predicted as the low-Tc phase by the application of the genetic algorithm technique for crystal structure searching and first-principles calculations to sulfur-hydrogen system under high-pressure. The H5S2 phase is thermodynamically stabilized at 110 GPa, in which asymmetric hydrogen bonds are formed between H2S and H3S molecules. Calculated Tc values show 50–70 K in pressure range of 100–150 GPa within the harmonic approximation, which can reproduce the experimentally observed low-Tc phase. These findings give a new aspect of the excellent superconductivity in compressed sulfur-hydrogen system.

  3. Superconducting H5S2 phase in sulfur-hydrogen system under high-pressure

    PubMed Central

    Ishikawa, Takahiro; Nakanishi, Akitaka; Shimizu, Katsuya; Katayama-Yoshida, Hiroshi; Oda, Tatsuki; Suzuki, Naoshi

    2016-01-01

    Recently, hydrogen sulfide was experimentally found to show the high superconducting critical temperature (Tc) under high-pressure. The superconducting Tc shows 30–70 K in pressure range of 100–170 GPa (low-Tc phase) and increases to 203 K, which sets a record for the highest Tc in all materials, for the samples annealed by heating it to room temperature at pressures above 150 GPa (high-Tc phase). Here we present a solid H5S2 phase predicted as the low-Tc phase by the application of the genetic algorithm technique for crystal structure searching and first-principles calculations to sulfur-hydrogen system under high-pressure. The H5S2 phase is thermodynamically stabilized at 110 GPa, in which asymmetric hydrogen bonds are formed between H2S and H3S molecules. Calculated Tc values show 50–70 K in pressure range of 100–150 GPa within the harmonic approximation, which can reproduce the experimentally observed low-Tc phase. These findings give a new aspect of the excellent superconductivity in compressed sulfur-hydrogen system. PMID:26983593

  4. High-pressure structure, decomposition, and superconductivity of MoS2

    NASA Astrophysics Data System (ADS)

    Kohulák, Oto; MartoÅák, Roman; Tosatti, Erio

    2015-04-01

    The high pressure structural and electronic evolution of bulk MoS2, an important transition metal layered dichalchogenide, is currently under active investigation, particularly in search of superconductivity. Recent theoretical and experimental work predicted and verified a 2 Hc→2 Ha layer sliding structural transition at 20 GPa and a band overlap semiconductor-semimetal transition in the same pressure range. The poorly metallic and nonsuperconducting 2 Ha structure is known to persist up to a pressure of 81 GPa, but properties at higher pressures remain experimentally unknown. Here we predict, with a first-principles evolutionary search, that major structural and electronic transformations should take place in equilibrium at higher pressures near 130-140 GPa. The main motif is a decomposition into MoS + S, also heralded in a small bimolecular cell by the appearance of a metastable nonlayered metallic MoS2 structure with space group P 4 /m m m . Unlike semimetallic 2 Ha -MoS2, the new high pressure phases are expected to be fully metallic and superconducting with higher critical temperatures than even alkali-intercalated MoS2.

  5. High-Pressure Polymorphism of 1,1-Diamino-2,2-dinitroethene (FOX-7)

    NASA Astrophysics Data System (ADS)

    Dreger, Zbigniew; Tao, Yuchuan; Gupta, Yogendra

    2015-06-01

    Understanding the polymorphic response of energetic crystals is important for understanding their initiation and reactive behavior. Here, we report on the high-pressure polymorphism of the energetic crystal FOX-7 [C2(NO2)2(NH2)2]; the low sensitivity to initiation has attracted considerable research interest in this crystal. Micro-Raman spectroscopy and synchrotron x-ray diffraction measurements were used to gain insight into the mechanisms of polymorphic transformations, and their role in the high-pressure structural stability of FOX-7. Experiments were performed on single crystals compressed statically to 40 GPa (Raman) and to 12 GPa (x-ray). Two instances of spectral changes were detected at 2 and 4.5 GPa with Raman spectroscopy. Different experimental approaches, including isotope substitution (H/D), nonhydrostatic compression and laser radiation were used to understand the molecular processes associated with the observed spectral changes. The x-ray diffraction results demonstrated that the same space group, P21/n, is maintained to 4.5 GPa, the β angle reduces to almost 900, and the crystal shows anisotropic compression. Preliminary structure refinement results indicate that changes at 2 GPa can result from the amino groups twist out of the molecular plane. The structural changes at 4.5 GPa indicate the reconstructive character of the phase transition at this pressure. Work supported by DOE/NNSA and ONR.

  6. Conventional superconductivity at 203 kelvin at high pressures in the sulfur hydride system

    NASA Astrophysics Data System (ADS)

    Drozdov, A. P.; Eremets, M. I.; Troyan, I. A.; Ksenofontov, V.; Shylin, S. I.

    2015-09-01

    A superconductor is a material that can conduct electricity without resistance below a superconducting transition temperature, Tc. The highest Tc that has been achieved to date is in the copper oxide system: 133 kelvin at ambient pressure and 164 kelvin at high pressures. As the nature of superconductivity in these materials is still not fully understood (they are not conventional superconductors), the prospects for achieving still higher transition temperatures by this route are not clear. In contrast, the Bardeen-Cooper-Schrieffer theory of conventional superconductivity gives a guide for achieving high Tc with no theoretical upper bound--all that is needed is a favourable combination of high-frequency phonons, strong electron-phonon coupling, and a high density of states. These conditions can in principle be fulfilled for metallic hydrogen and covalent compounds dominated by hydrogen, as hydrogen atoms provide the necessary high-frequency phonon modes as well as the strong electron-phonon coupling. Numerous calculations support this idea and have predicted transition temperatures in the range 50-235 kelvin for many hydrides, but only a moderate Tc of 17 kelvin has been observed experimentally. Here we investigate sulfur hydride, where a Tc of 80 kelvin has been predicted. We find that this system transforms to a metal at a pressure of approximately 90 gigapascals. On cooling, we see signatures of superconductivity: a sharp drop of the resistivity to zero and a decrease of the transition temperature with magnetic field, with magnetic susceptibility measurements confirming a Tc of 203 kelvin. Moreover, a pronounced isotope shift of Tc in sulfur deuteride is suggestive of an electron-phonon mechanism of superconductivity that is consistent with the Bardeen-Cooper-Schrieffer scenario. We argue that the phase responsible for high-Tc superconductivity in this system is likely to be H3S, formed from H2S by decomposition under pressure. These findings raise hope for the

  7. Isotope effect in the superconducting high-pressure simple cubic phase of calcium from first principles

    NASA Astrophysics Data System (ADS)

    Errea, Ion; Rousseau, Bruno; Bergara, Aitor

    2012-06-01

    It has been recently shown [I. Errea, B. Rousseau, and A. Bergara, Phys. Rev. Lett. 106, 165501 (2011)] that the phonons of the high-pressure simple cubic phase of calcium are stabilized by strong quantum anharmonic effects. This was obtained by a fully ab initio implementation of the self-consistent harmonic approximation including explicitly anharmonic coefficients up to fourth order. The renormalized anharmonic phonons make possible to estimate the superconducting transition temperature in this system, and a sharp agreement with experiments is found. In this work, this analysis is extended in order to study the effect of anharmonicity in the isotope effect. According to our calculations, despite the huge anharmonicity in the system, the isotope coefficient is predicted to be 0.45, close to the 0.5 value expected for a harmonic BCS superconductor.

  8. Structure, stability, and superconductivity of new Xe–H compounds under high pressure

    SciTech Connect

    Yan, Xiaozhen; Chen, Yangmei; Kuang, Xiaoyu; Xiang, Shikai

    2015-09-28

    Application of high pressure can substantially enhance the chemical reactivity of xenon and has recently extended the Xe-compounds to unexpected elements such as Fe and H. Using unbiased structure searching techniques combined with first-principles calculations, we predict novel compounds of stable XeH{sub 2} and XeH{sub 4}, and metastable XeH, XeH{sub 3}, XeH{sub 5}, XeH{sub 6}, XeH{sub 7}, and XeH{sub 8} under high pressure. Rather than van der Waals complexes, these are weakly covalent or ionic compounds stabilized by a pressure-induced increase in charge transfer from Xe to H atoms. The calculated electronic structures with hybrid exchange-correlation functionals reveal that only XeH and XeH{sub 2} are metalized under 300 GPa. For the metallic XeH and XeH{sub 2} at certain pressures, the superconducting critical temperatures are finally studied, by using Allen-Dynes modified McMillan equation combined with the calculated electron-phonon coupling parameter.

  9. High Pressure - High Temperature Polymorphism in Ta: Resolving an Ongoing Experimental Controversy

    SciTech Connect

    Burkovsky, L; Chen, S P; Preston, D L; Belonoshko, A B; Rosengren, A; Mikhaylushkin, A S; Simak, S I; Moriarty, J A

    2010-04-07

    Phase diagrams of refractory metals remain essentially unknown. Moreover, there is an ongoing controversy over the high pressure (P) melting temperatures of these metals: results of diamond anvil cell (DAC) and shock wave experiments differ by at least a factor of two. From an extensive ab initio study on tantalum we discovered that the body-centered cubic phase, its physical phase at ambient conditions, transforms to another solid phase, possibly hexagonal omega phase, at high temperature (T). Hence the sample motion observed in DAC experiments is not due to melting but internal stresses accompanying a solid-solid transformation, as explained in more detail in our work. In view of our results on tantalum and previous work on molybdenum, as well as other published data, it is highly plausible that high-PT polymorphism is a general feature of Groups V and VI refractory metals.

  10. High pressure structural, electronic, and optical properties of polymorphic InVO4 phases

    NASA Astrophysics Data System (ADS)

    Mondal, S.; Appalakondaiah, S.; Vaitheeswaran, G.

    2016-02-01

    In the present work, we report a detailed density functional theory calculation on polymorphic InVO4 phases by means of projector augmented wave method. The computed first-order structural phase transformation from orthorhombic (Cmcm) to monoclinic (P2/c) structure is found to occur around 5.6 GPa along with a large volume collapse of 16.6%, which is consistent with previously reported experimental data. This transformation also leads to an increase in the coordination number of vanadium atom from 4 to 6. The computed equilibrium and high pressure structural properties of both InVO4 phases, including unit cell parameters, equation of state, and bulk moduli, are in good agreement with the available experimental data. In addition, compressibility is found to be highly anisotropic and the b-axis being more compressible than the other for both the structures. Electronic band structures for both the phases were calculated, and the band gaps for orthorhombic and monoclinic InVO4 are found to be 4.02 and 1.67 eV, respectively, within the Tran-Blaha Modified Becke-Johnson potential as implemented in linearized augmented planewave method. We further examined the optical properties such as dielectric function, refractive index, and absorption spectra for both the structures. From the implications of these results, it can be proposed that the high pressure InVO4 phase can be more useful than orthorhombic phase for photo catalytic applications.

  11. High pressure effects on the superconductivity in rare-earth-doped CaFe2As2

    NASA Astrophysics Data System (ADS)

    Uhoya, Walter; Cargill, Daniel; Gofryk, Krzysztof; Tsoi, Georgiy M.; Vohra, Yogesh K.; Sefat, Athena S.; Weir, S. T.

    2014-01-01

    High pressure superconductivity in a rare-earth-doped Ca0.86Pr0.14Fe2As2 single-crystalline sample has been studied up to 12 GPa and temperatures down to 11 K using the designer diamond anvil cell under a quasi-hydrostatic pressure medium. The electrical resistance measurements were complemented by high pressure and low-temperature X-ray diffraction studies at a synchrotron source. The electrical resistance measurements show an intriguing observation of superconductivity under pressure, with Tc as high as ∼51 K at 1.9 GPa, presenting the highest Tc reported in the intermetallic class of 122 iron-based superconductors. The resistive transition observed suggests a possible existence of two superconducting phases at low pressures of 0.5 GPa: one phase starting at Tc1 ∼ 48 K and the other starts at Tc2 ∼ 16 K. The two superconducting transitions show distinct variations with increasing pressure. High pressure and low-temperature structural studies indicate that the superconducting phase is a collapsed tetragonal ThCr2Si2-type (122) crystal structure.

  12. High pressure-temperature polymorphism of 1,1-diamino-2,2-dinitroethylene

    SciTech Connect

    Bishop, M. M.; Chellappa, R. S.; Liu, Z.; Preston, D. N.; Sandstrom, M. M.; Dattelbaum, D. M.; Vohra, Y. K.; Velisavljevic, N.

    2014-05-07

    Here, 1,1-diamino-2,2-dinitroethylene (FOX-7) is a low sensitivity 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 pressure-temperature stability of FOX-7 polymorphs using synchrotron mid-infrared (MIR) spectroscopy. At ambient pressure, our MIR spectra and corresponding differential scanning calorimetry (DSC) measurements confirmed the known α → β (~110 °C) and β → γ (~160 °C) structural phase transitions; as well as, indicated an additional transition γ → δ (~210 °C), with the δ phase being stable up to ~251 degree C prior to decomposition. In situ MIR spectra obtained during isobaric heating at 0.9 GPa, revealed a potential α → β transition that could occur as early as 180 degree C, while β → β+δ phase transition shifted to ~300 °C with suppression of γ phase. Decomposition was observed slightly above 325 °C at 0.9 GPa..

  13. High pressure-temperature polymorphism of 1,1-diamino-2,2-dinitroethylene

    NASA Astrophysics Data System (ADS)

    Bishop, M. M.; Chellappa, R. S.; Liu, Z.; Preston, D. N.; Sandstrom, M. M.; Dattelbaum, D. M.; Vohra, Y. K.; Velisavljevic, N.

    2014-05-01

    1,1-diamino-2,2-dinitroethylene (FOX-7) is a low sensitivity 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 pressure-temperature stability of FOX-7 polymorphs using synchrotron mid-infrared (MIR) spectroscopy. At ambient pressure, our MIR spectra and corresponding differential scanning calorimetry (DSC) measurements confirmed the known α → β (~110 °C) and α → β (~160 °C) structural phase transitions; as well as, indicated an additional transition γ → (~210 °C), with the δ phase being stable up to ~251 °C prior to decomposition. In situ MIR spectra obtained during isobaric heating at 0.9 GPa, revealed a potential α → β transition that could occur as early as 180 °C, while β → β+δ phase transition shifted to ~300 °C with suppression of γ phase. Decomposition was observed slightly above 325 °C at 0.9 GPa.

  14. High pressure-temperature polymorphism of 1,1-diamino-2,2-dinitroethylene

    DOE PAGESBeta

    Bishop, M. M.; Chellappa, R. S.; Liu, Z.; Preston, D. N.; Sandstrom, M. M.; Dattelbaum, D. M.; Vohra, Y. K.; Velisavljevic, N.

    2014-05-07

    Here, 1,1-diamino-2,2-dinitroethylene (FOX-7) is a low sensitivity 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 pressure-temperature stability of FOX-7 polymorphs using synchrotron mid-infrared (MIR) spectroscopy. At ambient pressure, our MIR spectra and corresponding differential scanning calorimetry (DSC) measurements confirmed the known α → β (~110 °C) and β → γ (~160 °C) structural phase transitions; as well as, indicated an additional transition γ → δ (~210 °C),more » with the δ phase being stable up to ~251 degree C prior to decomposition. In situ MIR spectra obtained during isobaric heating at 0.9 GPa, revealed a potential α → β transition that could occur as early as 180 degree C, while β → β+δ phase transition shifted to ~300 °C with suppression of γ phase. Decomposition was observed slightly above 325 °C at 0.9 GPa..« less

  15. Turnbuckle diamond anvil cell for high-pressure measurements in a superconducting quantum interference device magnetometer.

    PubMed

    Giriat, Gaétan; Wang, Weiwei; Attfield, J Paul; Huxley, Andrew D; Kamenev, Konstantin V

    2010-07-01

    We have developed a miniature diamond anvil cell for magnetization measurements in a widely used magnetic property measurement system commercial magnetometer built around a superconducting quantum interference device. The design of the pressure cell is based on the turnbuckle principle in which force can be created and maintained by rotating the body of the device while restricting the counterthreaded end-nuts to translational movement. The load on the opposed diamond anvils and the sample between them is generated using a hydraulic press. The load is then locked by rotating the body of the cell with respect to the end-nuts. The dimensions of the pressure cell have been optimized by use of finite element analysis. The cell is approximately a cylinder 7 mm long and 7 mm in diameter and weighs only 1.5 g. Due to its small size the cell thermalizes rapidly. It is capable of achieving pressures in excess of 10 GPa while allowing measurements to be performed with the maximum sensitivity of the magnetometer. The performance of the pressure cell is illustrated by a high pressure magnetic study of Mn(3)[Cr(CN)(6)](2) x xH(2)O Prussian blue analog up to 10.3 GPa. PMID:20687740

  16. Turnbuckle diamond anvil cell for high-pressure measurements in a superconducting quantum interference device magnetometer

    NASA Astrophysics Data System (ADS)

    Giriat, Gaétan; Wang, Weiwei; Attfield, J. Paul; Huxley, Andrew D.; Kamenev, Konstantin V.

    2010-07-01

    We have developed a miniature diamond anvil cell for magnetization measurements in a widely used magnetic property measurement system commercial magnetometer built around a superconducting quantum interference device. The design of the pressure cell is based on the turnbuckle principle in which force can be created and maintained by rotating the body of the device while restricting the counterthreaded end-nuts to translational movement. The load on the opposed diamond anvils and the sample between them is generated using a hydraulic press. The load is then locked by rotating the body of the cell with respect to the end-nuts. The dimensions of the pressure cell have been optimized by use of finite element analysis. The cell is approximately a cylinder 7 mm long and 7 mm in diameter and weighs only 1.5 g. Due to its small size the cell thermalizes rapidly. It is capable of achieving pressures in excess of 10 GPa while allowing measurements to be performed with the maximum sensitivity of the magnetometer. The performance of the pressure cell is illustrated by a high pressure magnetic study of Mn3[Cr(CN)6]2ṡxH2O Prussian blue analog up to 10.3 GPa.

  17. High-pressure infrared and Raman studies of polymorphism in pharmaceutical compounds: Spironolactone, Forms I and II

    NASA Astrophysics Data System (ADS)

    Pisegna, Gisia L.; Gilson, Denis F. R.; Butler, Ian S.

    2014-12-01

    The infrared and Raman spectra of the two polymorphic forms, I and II, of the synthetic steroid spironolactone (C24H32O4S) have been examined under high pressures up to about 50 kbar with the aid of a diamond-anvil cell. While the differences in peak wavenumbers between the two polymorphs are small, the difference in the pressure dependence is dramatic. Both forms undergo structural transformations under pressure, but over different pressure ranges.

  18. Miniature ceramic-anvil high-pressure cell for magnetic measurements in a commercial superconducting quantum interference device magnetometer.

    PubMed

    Tateiwa, Naoyuki; Haga, Yoshinori; Fisk, Zachary; Ōnuki, Yoshichika

    2011-05-01

    A miniature opposed-anvil high-pressure cell has been developed for magnetic measurement in a commercial superconducting quantum interference device magnetometer. Non-magnetic anvils made of composite ceramic material were used to generate high-pressure with a Cu-Be gasket. We have examined anvils with different culet sizes (1.8, 1.6, 1.4, 1.2, 1.0, 0.8, and 0.6 mm). The pressure generated at low temperature was determined by the pressure dependence of the superconducting transition of lead (Pb). The maximum pressure P(max) depends on the culet size of the anvil: the values of P(max) are 2.4 and 7.6 GPa for 1.8 and 0.6 mm culet anvils, respectively. We revealed that the composite ceramic anvil has potential to generate high-pressure above 5 GPa. The background magnetization of the Cu-Be gasket is generally two orders of magnitude smaller than the Ni-Cr-Al gasket for the indenter cell. The present cell can be used not only with ferromagnetic and superconducting materials with large magnetization but also with antiferromagnetic compounds with smaller magnetization. The production cost of the present pressure cell is about one tenth of that of a diamond anvil cell. The anvil alignment mechanism is not necessary in the present pressure cell because of the strong fracture toughness (6.5 MPa m(1∕2)) of the composite ceramic anvil. The simplified pressure cell is easy-to-use for researchers who are not familiar with high-pressure technology. Representative results on the magnetization of superconducting MgB(2) and antiferromagnet CePd(5)Al(2) are reported. PMID:21639517

  19. High-pressure superconducting phase diagram of 6Li: Isotope effects in dense lithium

    PubMed Central

    Schaeffer, Anne Marie; Temple, Scott R.; Bishop, Jasmine K.; Deemyad, Shanti

    2015-01-01

    We measured the superconducting transition temperature of 6Li between 16 and 26 GPa, and report the lightest system to exhibit superconductivity to date. The superconducting phase diagram of 6Li is compared with that of 7Li through simultaneous measurement in a diamond anvil cell (DAC). Below 21 GPa, Li exhibits a direct (the superconducting coefficient, α, Tc∝M−α, is positive), but unusually large isotope effect, whereas between 21 and 26 GPa, lithium shows an inverse superconducting isotope effect. The unusual dependence of the superconducting phase diagram of lithium on its atomic mass opens up the question of whether the lattice quantum dynamic effects dominate the low-temperature properties of dense lithium. PMID:25538300

  20. A first-principles study on new high-pressure metastable polymorphs of MoO2

    NASA Astrophysics Data System (ADS)

    Becker, Nils; Dronskowski, Richard

    2016-05-01

    The pressure-dependence of the stabilities of several MoO2 phases has been investigated by density-functional theory (GGA/PBE/PAW). Out of a set of 15 MX2 structures, the [SnO2(II)], [α-PbO2], and a modified rutile structure type were identified as possible metastable MoO2 polymorphs based on the analysis of thermodynamic properties and dynamic stability. High-pressure calculations suggest an orthorhombic TiO2 structure, dubbed [ortho-TiO2], as a high-pressure polymorph at around 25 GPa. Furthermore, we find that the previously reported rutile-type MoO2 may be understood as a modified rutile type similar to the [VO2] structure.

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

    NASA Astrophysics Data System (ADS)

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

    2014-01-01

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

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

    SciTech Connect

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

    2005-06-30

    A new facility for high-pressure diffraction andspectroscopy using diamond anvil high-pressure cells has been built atthe Advanced Light Source on Beamline 12.2.2. This beamline benefits fromthe hard X-radiation generated by a 6 Tesla superconducting bendingmagnet (superbend). Useful x-ray flux is available between 5 keV and 35keV. The radiation is transferred from the superbend to the experimentalenclosure by the brightness preserving optics of the beamline. Theseoptics are comprised of: a plane parabola collimating mirror (M1),followed by a Kohzu monochromator vessel with a Si(111) crystals (E/DE ~;7000) and a W/B4C multilayers (E/DE ~; 100), and then a toroidal focusingmirror (M2) with variable focusing distance. The experimental enclosurecontains an automated beam positioning system, a set of slits, ionchambers, the sample positioning goniometry and area detectors (CCD orimage-plate detector). Future developments aim at the installation of asecond end station dedicated for in situ laser-heating on one hand and adedicated high-pressure single-crystal station, applying bothmonochromatic as well as polychromatic techniques.

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

    PubMed

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

    2005-09-01

    A new facility for high-pressure diffraction and spectroscopy using diamond anvil high-pressure cells has been built at the Advanced Light Source on beamline 12.2.2. This beamline benefits from the hard X-radiation generated by a 6 T superconducting bending magnet (superbend). Useful X-ray flux is available between 5 keV and 35 keV. The radiation is transferred from the superbend to the experimental enclosure by the brightness-preserving optics of the beamline. These optics are comprised of a plane parabola collimating mirror, followed by a Kohzu monochromator vessel with Si(111) crystals (E/DeltaE approximately equal 7000) and W/B4C multilayers (E/DeltaE approximately equal 100), and then a toroidal focusing mirror with variable focusing distance. The experimental enclosure contains an automated beam-positioning system, a set of slits, ion chambers, the sample positioning goniometry and area detector (CCD or image-plate detector). Future developments aim at the installation of a second endstation dedicated to in situ laser heating and a dedicated high-pressure single-crystal station, applying both monochromatic and polychromatic techniques. PMID:16120990

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

    SciTech Connect

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

    2005-04-19

    A new facility for high-pressure diffraction and spectroscopy using diamond anvil high-pressure cells has been built at the Advanced Light Source on Beamline 12.2.2. This beamline benefits from the hard X-radiation generated by a 6 Tesla superconducting bending magnet (superbend). Useful x-ray flux is available between 5 keV and 35 keV. The radiation is transferred from the superbend to the experimental enclosure by the brightness preserving optics of the beamline. These optics are comprised of: a plane parabola collimating mirror (M1), followed by a Kohzu monochromator vessel with a Si(111) crystals (E/{Delta}E {approx} 7000) and a W/B{sub 4}C multilayer (E/{Delta}E {approx} 100), and then a toroidal focusing mirror (M2) with variable focusing distance. The experimental enclosure contains an automated beam positioning system, a set of slits, ion chambers, the sample positioning goniometry and area detectors (CCD or image-plate detector). Future developments aim at the installation of a second end station dedicated for in situ laser-heating on one hand and a dedicated high-pressure single-crystal station, applying both monochromatic as well as polychromatic techniques.

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

    SciTech Connect

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

    2005-06-30

    A new facility for high-pressure diffraction and spectroscopy using diamond anvil high-pressure cells has been built at the Advanced Light Source on Beamline 12.2.2. This beamline benefits from the hard X-radiation generated by a 6 Tesla superconducting bending magnet (superbend). Useful x-ray flux is available between 5 keV and 35 keV. The radiation is transferred from the superbend to the experimental enclosure by the brightness preserving optics of the beamline. These optics are comprised of: a plane parabola collimating mirror (M1), followed by a Kohzu monochromator vessel with a Si(111) crystals (E/DE {approx}7000) and a W/B4C multilayers (E/DE {approx} 100), and then a toroidal focusing mirror (M2) with variable focusing distance. The experimental enclosure contains an automated beam positioning system, a set of slits, ion chambers, the sample positioning goniometry and area detectors (CCD or image-plate detector). Future developments aim at the installation of a second end station dedicated for in situ laser-heating on one hand and a dedicated high-pressure single-crystal station, applying both monochromatic as well as polychromatic techniques.

  6. High temperature superconductivity in sulfur and selenium hydrides at high pressure

    NASA Astrophysics Data System (ADS)

    Flores-Livas, José A.; Sanna, Antonio; Gross, E. K. U.

    2016-03-01

    Due to its low atomic mass, hydrogen is the most promising element to search for high-temperature phononic superconductors. However, metallic phases of hydrogen are only expected at extreme pressures (400 GPa or higher). The measurement of the record superconducting critical temperature of 203 K in a hydrogen-sulfur compound at 160 GPa of pressure [A.P. Drozdov, M.I. Eremets, I.A. Troyan, arXiv:1412.0460 [cond-mat.supr-con] (2014); A.P. Drozdov, M.I. Eremets, I.A. Troyan, V. Ksenofontov, S.I. Shylin, Nature 525, 73 (2015)], shows that metallization of hydrogen can be reached at significantly lower pressure by inserting it in the matrix of other elements. In this work we investigate the phase diagram and the superconducting properties of the H-S systems by means of minima hopping method for structure prediction and density functional theory for superconductors. We also show that Se-H has a similar phase diagram as its sulfur counterpart as well as high superconducting critical temperature. We predict H3Se to exceed 120 K superconductivity at 100 GPa. We show that both H3Se and H3S, due to the critical temperature and peculiar electronic structure, present rather unusual superconducting properties. Supplementary material in the form of one pdf file available from the Journal web page at: http://dx.doi.org/10.1140/epjb/e2016-70020-0

  7. Dome-shaped magnetic order competing with high-temperature superconductivity at high pressures in FeSe

    PubMed Central

    Sun, J. P.; Matsuura, K.; Ye, G. Z.; Mizukami, Y.; Shimozawa, M.; Matsubayashi, K.; Yamashita, M.; Watashige, T.; Kasahara, S.; Matsuda, Y.; Yan, J. -Q.; Sales, B. C.; Uwatoko, Y.; Cheng, J. -G.; Shibauchi, T.

    2016-01-01

    The coexistence and competition between superconductivity and electronic orders, such as spin or charge density waves, have been a central issue in high transition-temperature (Tc) superconductors. Unlike other iron-based superconductors, FeSe exhibits nematic ordering without magnetism whose relationship with its superconductivity remains unclear. Moreover, a pressure-induced fourfold increase of Tc has been reported, which poses a profound mystery. Here we report high-pressure magnetotransport measurements in FeSe up to ∼15 GPa, which uncover the dome shape of magnetic phase superseding the nematic order. Above ∼6 GPa the sudden enhancement of superconductivity (Tc≤38.3 K) accompanies a suppression of magnetic order, demonstrating their competing nature with very similar energy scales. Above the magnetic dome, we find anomalous transport properties suggesting a possible pseudogap formation, whereas linear-in-temperature resistivity is observed in the normal states of the high-Tc phase above 6 GPa. The obtained phase diagram highlights unique features of FeSe among iron-based superconductors, but bears some resemblance to that of high-Tc cuprates. PMID:27431724

  8. Dome-shaped magnetic order competing with high-temperature superconductivity at high pressures in FeSe

    NASA Astrophysics Data System (ADS)

    Sun, J. P.; Matsuura, K.; Ye, G. Z.; Mizukami, Y.; Shimozawa, M.; Matsubayashi, K.; Yamashita, M.; Watashige, T.; Kasahara, S.; Matsuda, Y.; Yan, J.-Q.; Sales, B. C.; Uwatoko, Y.; Cheng, J.-G.; Shibauchi, T.

    2016-07-01

    The coexistence and competition between superconductivity and electronic orders, such as spin or charge density waves, have been a central issue in high transition-temperature (Tc) superconductors. Unlike other iron-based superconductors, FeSe exhibits nematic ordering without magnetism whose relationship with its superconductivity remains unclear. Moreover, a pressure-induced fourfold increase of Tc has been reported, which poses a profound mystery. Here we report high-pressure magnetotransport measurements in FeSe up to ~15 GPa, which uncover the dome shape of magnetic phase superseding the nematic order. Above ~6 GPa the sudden enhancement of superconductivity (Tc<=38.3 K) accompanies a suppression of magnetic order, demonstrating their competing nature with very similar energy scales. Above the magnetic dome, we find anomalous transport properties suggesting a possible pseudogap formation, whereas linear-in-temperature resistivity is observed in the normal states of the high-Tc phase above 6 GPa. The obtained phase diagram highlights unique features of FeSe among iron-based superconductors, but bears some resemblance to that of high-Tc cuprates.

  9. Dome-shaped magnetic order competing with high-temperature superconductivity at high pressures in FeSe.

    PubMed

    Sun, J P; Matsuura, K; Ye, G Z; Mizukami, Y; Shimozawa, M; Matsubayashi, K; Yamashita, M; Watashige, T; Kasahara, S; Matsuda, Y; Yan, J-Q; Sales, B C; Uwatoko, Y; Cheng, J-G; Shibauchi, T

    2016-01-01

    The coexistence and competition between superconductivity and electronic orders, such as spin or charge density waves, have been a central issue in high transition-temperature (Tc) superconductors. Unlike other iron-based superconductors, FeSe exhibits nematic ordering without magnetism whose relationship with its superconductivity remains unclear. Moreover, a pressure-induced fourfold increase of Tc has been reported, which poses a profound mystery. Here we report high-pressure magnetotransport measurements in FeSe up to ∼15 GPa, which uncover the dome shape of magnetic phase superseding the nematic order. Above ∼6 GPa the sudden enhancement of superconductivity (Tc≤38.3 K) accompanies a suppression of magnetic order, demonstrating their competing nature with very similar energy scales. Above the magnetic dome, we find anomalous transport properties suggesting a possible pseudogap formation, whereas linear-in-temperature resistivity is observed in the normal states of the high-Tc phase above 6 GPa. The obtained phase diagram highlights unique features of FeSe among iron-based superconductors, but bears some resemblance to that of high-Tc cuprates. PMID:27431724

  10. Dynamic high pressure process for fabricating superconducting and permanent magnetic materials

    DOEpatents

    Nellis, William J.; Geballe, Theodore H.; Maple, M. Brian

    1990-01-01

    Shock wave formation of thin layers of materials with improved superconducting and permanent magnetic properties and improved microstructures. The material fabrication system includes a sandwiched structure including a powder material placed between two solid members to enable explosive shock consolidation. The two solid members are precooled to about 80.degree.-100.degree. K. to reduce the residual temperatures attained as a result of the shock wave treatment, and thereby increase the quench rate of the consolidated powder.

  11. Dynamic high pressure process for fabricating superconducting and permanent magnetic materials

    DOEpatents

    Nellis, W.J.; Geballe, T.H.; Maple, M.B.

    1990-03-13

    Shock wave formation of thin layers of materials with improved superconducting and permanent magnetic properties and improved microstructures is disclosed. The material fabrication system includes a sandwiched structure including a powder material placed between two solid members to enable explosive shock consolidation. The two solid members are precooled to about 80--100 K to reduce the residual temperatures attained as a result of the shock wave treatment, and thereby increase the quench rate of the consolidated powder. 9 figs.

  12. Synthesis and magnetic properties of the high-pressure scheelite-type GdCrO{sub 4} polymorph

    SciTech Connect

    Dos santos-Garcia, A.J.; Climent-Pascual, E.; Gallardo-Amores, J.M.; Rabie, M.G.; Doi, Y.; Romero de Paz, J.; Beuneu, B.

    2012-10-15

    The scheelite-type polymorph of GdCrO{sub 4} has been obtained from the corresponding zircon-type compound under high pressure and temperature conditions, namely 4 GPa and 803 K. The crystal structure has been determined by X-ray powder diffraction. This GdCrO{sub 4} scheelite crystallizes in a tetragonal symmetry with space group I4{sub 1}/a (No. 88, Z=4), a=5.0501(1) A, c=11.4533(2) A and V=292.099(7) A{sup 3}. The thermal decomposition leads to the formation of the zircon-polymorph as intermediate phase at 773 K to end in the corresponding GdCrO{sub 3} distorted perovskite-structure at higher temperatures. Magnetic susceptibility and magnetization measurements suggest the existence of long-range antiferromagnetic interactions which have been also confirmed from specific heat measurements. Neutron powder diffraction data reveal the simultaneous antiferromagnetic Gd{sup 3+} and Cr{sup 5+} ordering in the scheelite-type GdCrO{sub 4} with a T{sub N}{approx}20 K. The magnetic propagation vector was found to be k=(0 0 0). Combined with group theory analysis, the best neutron powder diffraction fit was obtained with a collinear antiferromagnetic coupling in which the m{sub Cr{sup 5}{sup +}} and m{sub Gd{sup 3}{sup +}} magnetic moments are confined in the tetragonal basal plane according to the mixed representation {Gamma}{sub 6} Circled-Plus {Gamma}{sub 8}. Thermal decomposition of the GdCrO{sub 4} high pressure polymorph, from the scheelite-type through the zircon-type structure as intermediate to end in the GdCrO{sub 3} perovskite. Highlights: Black-Right-Pointing-Pointer New high pressure GdCrO{sub 4} polymorph crystallizing in the scheelite type structure. Black-Right-Pointing-Pointer It is an antiferromagnet with a metamagnetic transition at low magnetic fields. Black-Right-Pointing-Pointer We have determined its magnetic structure from powder neutron diffraction data. Black-Right-Pointing-Pointer Otherwise, the room pressure zircon-polymorph is a ferromagnet

  13. Superconductivity of BCC Zr and Zr-Nb alloys at high pressures

    NASA Astrophysics Data System (ADS)

    Ponyatovsky, E. G.; Bashkin, I. O.; Tissen, V. G.; Nefedova, M. V.

    2009-09-01

    The superconducting transition temperature T c of bcc Zr is measured at pressures to 64 GPa. The T c value gradually decreases as pressure is increased. For the Zr-Nb alloys, there are found anomalies in the T c ( P) dependences at rather low pressures. The anomalies are discussed within the available theoretical models. We assume on the basis of the T c ( P) experimental data for the Zr-Nb alloys that the T c ( P) curve for bcc zirconium has a maximum in the metastability region.

  14. Metallization and superconductivity of BeH2 under high pressure

    NASA Astrophysics Data System (ADS)

    Wang, Ziwei; Yao, Yansun; Zhu, Li; Liu, Hanyu; Iitaka, Toshiaki; Wang, Hui; Ma, Yanming

    2014-03-01

    Pressure-induced metallization and potential superconductivity of BeH2 has been a topic of interest. In the present study, we extensively explored the crystal structures of BeH2 in a wide pressure range of 0-300 GPa using an unbiased structure searching method coupled with first-principles density functional calculations. A series of pressure-induced structural transformations are predicted for BeH2, as Ibam (α phase) → P-3m1 (phase II) → R-3m (phase III) → Cmcm (phase IV). Calculated pressures of phase transition are 25, 140, and 202 GPa, respectively. The phase II is isostructural to the well-known 1T structure of transition metal dichalcogenides, which is composed of covalent bonded BeH2 slabs stacked along the perpendicular direction by van der Waals forces. The phase III is constructed by the same BeH2 slabs, but differs from the phase II in the stacking sequence. The α phase, phase II, and phase III all have insulating electronic states while their band gaps decrease as pressure increases. We predicted that BeH2 reaches a metallic state by a III → IV phase transition, instead of a direct band gap closure in phase III. The phase IV has a three-dimensional extended Be-H network formed by edge-sharing BeH8 polyhedrons with delocalized electrons. Electron-phonon coupling calculations implemented using linear response theory on the metallic BeH2 predict a large electron-phonon coupling parameter of 0.63, leading to an estimation of superconducting transition temperature (Tc) of ˜38 K at 250 GPa.

  15. Theoretical predictions of novel superconducting phases of BaGe3 stable at atmospheric and high pressures.

    PubMed

    Zurek, Eva; Yao, Yansun

    2015-03-16

    A series of new superconducting binary silicides and germanides have recently been synthesized under high-pressure high-temperature conditions. A representative member of this group, BaGe3, was theoretically investigated using evolutionary structure searches coupled with structural analogies in the pressure range from 1 atm to 250 GPa, where three new phases were discovered. At 1 atm, in addition to the synthesized P63/mmc phase, we predicted two new phases, I4/mmm and Amm2, to be dynamically stable. The Amm2 structure comprises Ge clusters and triangular prisms intercalated with Ba and Ge atoms, a unique structural motif unknown to this group. The I4/mmm structure has been previously synthesized in binary silicides and is calculated to be thermodynamically stable in BaGe3 between 15.6 and 35.4 GPa. Above 35.4 GPa, two new phases of P6̅m2 and R3̅m symmetry become the global minima and remain so up to the highest pressure considered. These two phases have very similar enthalpies, and both feature layers of double Kagome nets of Ge intercalated with Ba-Ge layers. The predicted phases are suggested to be metallic with itinerant electrons and to be potentially superconducting from the considerable electron-phonon coupling strength. Density functional perturbation calculations combined with the Allen-Dynes-modified McMillan formula were used to estimate the superconducting critical temperatures (Tc) for these new phases, which, with slight pressure variations, are comparable to the experimental Tc measured for the P63/mmc phase. PMID:25731906

  16. Hydrostatic High-Pressure Studies to 25 GPA on the Model Superconducting Pnictide LaRu2P2

    NASA Astrophysics Data System (ADS)

    Lim, Jinhyuk; Forouzani, Neda; Schilling, James; Fotovat, Roxanna; Zheng, Chong; Hoffmann, Roald

    2014-03-01

    Prior to the discovery of the Fe-pnictides in 2008, the ruthenium phosphide LaRu2P2 possessed the highest value of the su- perconducting transition temperature, Tc ~ 4 K, in the entire pnictide family. Recently, there has been renewed interest in this compound in an effort to better understand why the Fe-pnictides have much higher values of Tc. In related phosphides superconductivity appears to only be present if the separation be- tween the phosphor ions dp-p in neigh- boring Ru2P2 planes is greater than the critical value 2.8 Å, too great for a P-P covalent bond to be formed. For example, in superconducting LaRu2P2, the value of dp-p is 3.0 Å. To test these ideas directly, we have carried out hydro- static high-pressure studies on single-crystalline LaRu2P2 in a diamond-anvil cell using He pressure medium to pres- sures as high as 25 GPa and temperatures as low as 1.5 K. We find that Tc initially increases under pressure, but suddenly disappears above 2.1 GPa. Since dp-p decreases under pressure, the sudden disappearance of superconductivity is likely due to the formation of a covalent P-P bond between adjacent Ru2P2 planes and a possible structural phase transition. Work at Washington University is supported by the NSF through Grant No. DMR-1104742 and by the Carnegie/DOE through NNSA/DOE Grant No. DE-FC52-08NA28554.

  17. Band structure, Fermi surface, superconductivity, and resistivity of actinium under high pressure

    SciTech Connect

    Dakshinamoorthy, M.; Iyakutti, K.

    1984-12-15

    The electronic band structures of fcc actinium (Ac) have been calculated for a wide range of pressures by reducing the unit-cell volume from 1.0V/sub 0/ to 0.5V/sub 0/ with use of the relativistic augmented-plane-wave method. The density of states and Fermi-surface cross sections corresponding to various volumes are obtained. Calculations for the band-structure-related quantities such as electron-phonon mass enhancement factor lambda, superconducting transition temperature T/sub c/, and resistivity rho corresponding to different volumes are performed. It is seen that T/sub c/ increases with pressure, i.e., with decreasing volume. A new empirical relation for the volume dependence of T/sub c/ is proposed and its validity is checked using the T/sub c/ values obtained from the above band-structure results. The resistivity rho first increases with increasing pressure (i.e., with decreasing volume) and then decreases for higher pressures (i.e., for smaller volumes).

  18. High-pressure polymorphism of the electrochemically active organic molecule tetrahydroxy-p-benzoquinone

    NASA Astrophysics Data System (ADS)

    Ciezak-Jenkins, Jennifer A.

    2016-09-01

    The structural and chemical response of tetrahydroxy-p-benzoquinone to isothermal compression to near 20 GPa have been studied using powder x-ray diffraction and vibrational spectroscopy. Compression beyond 11.5 GPa resulted in the appearance of several new peaks in the x-ray patterns, changes in the peak distribution and intensities, as well as the disappearance of features observed at lower pressures, which when coupled with concomitant changes in the infrared spectrum are indicative of a phase transition. Further analysis of the infrared spectra suggest this phase transition results in an increase in the anharmonicity of the system. Raman spectroscopic experiments indicate the high-pressure phase to be highly photosensitive and easily polymerized.

  19. High-pressure polymorphism of Pb F2 to 75 GPa

    NASA Astrophysics Data System (ADS)

    Stan, Camelia V.; Dutta, Rajkrishna; White, Claire E.; Prakapenka, Vitali; Duffy, Thomas S.

    2016-07-01

    Lead fluoride, Pb F2 , was investigated experimentally in the laser-heated diamond anvil cell by x-ray diffraction to pressures of 75 GPa at room temperature and to 64.5 GPa and 2430 K, as well as through first-principles density functional theory calculations up to 70 GPa. During room temperature compression, no discontinuous changes in the x-ray diffraction pattern or volume were observed, but the lattice parameters displayed highly anomalous trends between 10-22 GPa with enhanced compressibility along the a direction and reduced or even negative compressibility along b and c . Theoretical calculations of valence electron densities at 22 GPa showed that α -Pb F2 underwent a pressure-induced isosymmetric phase transition to a postcotunnite C o2Si structure and also revealed the detailed atomic rearrangements associated with the development of an extra Pb-F bond in the high-pressure phase. Our x-ray results and theoretical calculations are consistent with an isosymmetric phase transition smoothly occurring over 10-22 GPa rather than abruptly as previously suggested. The characteristic values for the cell constants a /c and (a +c )/b , which are used to distinguish among cotunnite-, C o2Si -, and N i2In -type phases, require modification based on our results. An equation of state fit yields a bulk modulus, K0, of 72(3) GPa for the cotunnite-type, and an ambient-pressure volume, V0, of 182 (2 ) Å3 , and K0=81 (4 ) GPa for the C o2Si -type phase when fixing the pressure derivative of the bulk modulus, K0 '=4 . Upon heating above 1200 K at pressures at or above 25.9 GPa, Pb F2 partially transformed to the hexagonal N i2In -type phase but wholly or partially reverted back to C o2Si -type phase upon temperature quench. From 43-65 GPa, nearly complete transformation to the N i2In -type Pb F2 was observed at high temperature, but the material partially transformed back to the orthorhombic phase upon temperature quench. Our results show that high-pressure behavior of Pb F

  20. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex.

    PubMed

    Tidey, Jeremiah P; Wong, Henry L S; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J

    2016-06-01

    The three reported phases of the mononuclear macrocyclic Pd(II) complex [PdCl2([9]aneS2O)] [(1); [9]aneS2O = 1-oxa-4,7-dithiacyclononane] were each studied up to pressures exceeding 9 GPa using high-pressure single-crystal X-ray diffraction. The α- and γ-phases both exhibit smooth compression of the unit-cell parameters with third-order Birch-Murnaghan bulk moduli of 14.4 (8) and 7.6 (6) GPa, respectively. Between 6.81 and 6.87 GPa β-[PdCl2([9]aneS2O)] was found to undergo a reversible transition to a phase denoted as β' and characterized by a tripling of the unit-cell volume. Across the phase transition, rearrangement of the conformation of the bound macrocycle at two of the resulting three unique sites gives rise to an extensively disordered structure. PMID:27240767

  1. Phase diagram of the La-Si binary system under high pressure and the structures of superconducting LaSi{sub 5} and LaSi{sub 10}

    SciTech Connect

    Yamanaka, Shoji; Izumi, Satoshi; Maekawa, Shoichi; Umemoto, Keita

    2009-08-15

    The La-Si binary phase diagram under a high pressure of 13.5 GPa was experimentally constructed. New superconducting silicides LaSi{sub 5} and LaSi{sub 10} were found, which have peritectic decomposition temperatures at 1000 and 750 deg. C, respectively. The single crystal X-ray structural analysis revealed that there are two polymorphs in LaSi{sub 5}. The alpha-form obtained by heating a molar mixture of LaSi{sub 2} and 3 Si at about 700 deg. C or by a rapid cooling from 1000 deg. C under pressure crystallizes with the space group C2/m and the lattice parameters a=15.11(3), b=4.032(6), c=8.26(1) A, and beta=109.11(1){sup o}. The beta-form obtained by a slow cooling from 800-950 deg. C to 600 deg. C under pressure has the same space group but with slightly different lattice parameters, a=14.922(7), b=3.906(2), c=8.807(4) A, and beta=107.19(1){sup o}. The beta-form is formed during the incomplete transformation of the alpha-form on cooling, and has always been obtained as a mixture with the alpha-form. The compound can be characterized as a Zintl phase with a polyanionic framework {sub i}nfinity{sup 3}[Si{sub 5}]{sup 3-} with large tunnels running along the b axis hosting lanthanum ions. In the beta-form, three of the five Si sites are disordered. The two polymorphs contain one dimensional sila-polyacene ribbons, Si ladder polymer, running along the b axis. The alpha-form showed superconductivity with the transition temperature T{sub c} of 11.5 K. LaSi{sub 10} crystallizes with the space group 6{sub 3}/mmc and the lattice parameters a=9.623(4), c=4.723(3) A. It is composed of La containing Si{sub 18} polyhedra (La-Si{sub 18}) of hexagonal beer-barrel shape, which form straight columns by stacking along the c-axis via face sharing. One-dimensional columns of La-Si{sub 18} barrels are edge-shared, and bundled with infinite Si trigonal bipyramid chains via corner sharing. The Si atoms in the straight chains have a five-fold coordination. LaSi{sub 10} became a

  2. Elasticity of Fayalite and Spinel Polymorph of Fe2SiO4 at High Pressure and Temperature

    NASA Astrophysics Data System (ADS)

    Liu, Q.; Liu, W.; Wang, L.; Li, B.; Lindsley, D.

    2007-12-01

    Fayalite is the iron end-member of the olivine solid solution series. Although there is an extensive set of accurate data about the elastic properties of forsterite, the elasticity data for fayalite end-member is sparse, especially at both high pressure and temperature conditions. In this study, elastic wave velocity measurements on polycrystalline fayalite and its high pressure polymorph spinel at high pressure and temperature were carried out using simultaneous X-ray diffraction, X-ray radiography, and ultrasonic interferometry. The experiment was conducted in a DIA-type cubic anvil apparatus (SAM85) installed at the superwiggler beamline X17B2 in Brookhaven National Laboratory. Ultrasonic data were acquired using a dual mode lithium niobate transducer (10 degree Y-cut, 30 MHz for S wave and 50 MHz for P wave). Boron epoxy cube was used as pressure transmitting medium. The sample was placed in the center of the cube with NaCl and BN as surrounding material. Double polished alumina rod was used as buffer rod. Energy-dispersive X-ray diffraction data for the sample and NaCl were collected for phase identification, density determination, and pressure calculation. Sample length was monitored by X-ray radiographic imaging. Travel time, sample length, and cell parameters were collected along multiple heating/cooling cycles up to 4 GPa and 673 K for fayalite and 7.5 GPa and 1173 K for spinel, from which compressional and shear wave velocities, elastic bulk and shear moduli for both phases can be derived. These results are important in studying the effect of iron on the physical properties of the solid solutions of Mg and Fe end-members at upper mantle and transition zone conditions.

  3. High-pressure polymorph of LuFe2O4 with room-temperature antiferromagnetic order

    NASA Astrophysics Data System (ADS)

    Damay, F.; Poienar, M.; Hervieu, M.; Guesdon, A.; Bourgeois, J.; Hansen, T.; Elkaïm, E.; Haines, J.; Hermet, P.; Konczewicz, L.; Hammouda, T.; Rouquette, J.; Martin, C.

    2015-06-01

    Branded for its potential electronic ferroelectricity, charge-ordered LuF e2O4 has a layered Fe triangular framework, whose topology is a source of degeneracy, both at the charge and spin levels. Here we present an in-depth characterization of LuF e2O4-h p , the high-pressure (h p ) polymorph of LuF e2O4 , using electron, x-ray, and neutron diffraction, combined with transport and magnetization measurements. We show that LuF e2O4-h p is characterized by a misfit-related monoclinic structure, accommodating a buckled triangular [Lu] ∞ layer and two shifted adjacent rectangular [Fe] ∞ planes belonging to a distorted rock salt-type layer. The release of the geometric frustration of the Fe magnetic lattice in the h p form leads to collinear antiferromagnetic ordering at TN=380 K . Possible coexistence of charge and magnetic orders in this material opens research pathways for the design of tunable multifunctional devices using high-pressure techniques.

  4. CoBi3-the first binary compound of cobalt with bismuth: high-pressure synthesis and superconductivity

    NASA Astrophysics Data System (ADS)

    Tencé, S.; Janson, O.; Krellner, C.; Rosner, H.; Schwarz, U.; Grin, Y.; Steglich, F.

    2014-10-01

    The first compound in the cobalt bismuth system was synthesized by high-pressure high-temperature synthesis at 5 GPa and 450 °C. CoBi3 crystallizes in space group Pnma (no. 62) with lattice parameters of a = 8.8464(7) Å, b = 4.0697(4) Å and c = 11.5604(9) Å adopting a NiBi3-type crystal structure. CoBi3 undergoes a superconducting transition at Tc = 0.48(3) K as evidenced by electrical-resistivity and specific-heat measurements. Based on the anomaly of the specific heat at Tc and considering the estimated electron-phonon coupling, the new Bi-rich compound can be classified as a Bardeen-Cooper-Schrieffer-type superconductor with weak electron-phonon coupling. Density-functional theory calculations disclose a sizable influence of the spin-orbit coupling to the valence states and proximity to a magnetic instability, which accounts for a significantly enhanced Sommerfeld coefficient.

  5. First-principles study of high-pressure stability, structure, and elasticity of FeS2 polymorphs

    NASA Astrophysics Data System (ADS)

    Liu, Shanqi; Li, Yongbing; Yang, Junli; Tian, Huiquan; Zhu, Bojing; Shi, Yaolin

    2014-03-01

    The pressure-dependent elastic properties of the Fe-S system are important to understand the dynamic properties of the Earth's interior. We have therefore undertaken a first-principles study of the structural and elastic properties of FeS2 polymorphs under high pressure using a method based on plane-wave pseudopotential density function theory. The lattice constants, elastic constants, zero-pressure bulk modulus, and its pressure derivative of pyrite are in good agreement with the previous experiments and theoretical approaches; the lattice constants of marcasite are also consistent with the available experimental data. Calculations of the elastic constants of pyrite and marcasite have been determined from 0 to 200 GPa. Based on the relationship between the calculated elastic constants and the pressure, which can provide the stability of mineral, it would appear that pyrite is stable, whereas marcasite is unstable when the pressure rises above 130 GPa. Static lattice energy calculations predict the marcasite-to-pyrite phase transition to occur at 5.4 GPa at 0 K.

  6. Novel high pressure monoclinic Fe2O3 polymorph revealed by single-crystal synchrotron X-ray diffraction studies

    NASA Astrophysics Data System (ADS)

    Bykova, Elena; Bykov, Maxim; Prakapenka, Vitali; Konôpková, Zuzana; Liermann, Hanns-Peter; Dubrovinskaia, Natalia; Dubrovinsky, Leonid

    2013-08-01

    A novel high pressure polymorph of iron sesquioxide, m-Fe2O3, has been identified by means of single-crystal synchrotron X-ray diffraction (XRD). Upon compression of a single crystal of hematite, α-Fe2O3, in a diamond anvil cell, the transition occurs at pressure of about 54 GPa and results in ∼10% volume reduction. The crystal structure of the new phase was solved by the direct method (monoclinic space group P21/n, a=4.588(3), b=4.945(2), c=6.679(7) Å and β=91.31(9)°) and refined to R1 ∼11%. It belongs to the cryolite double-perovskite structure type and consists of corner-linked FeO6 octahedra and FeO6 trigonal prisms filling the free space between the octahedra. Upon compression up to ∼71 GPa at ambient temperature no further phase transitions were observed. Laser heating to ∼ 2100±100 K promotes a transition to the Cmcm CaIrO3-type (post-perovskite (PPv)) phase. The PPv-Fe2O3 crystal structure was refined by means of single-crystal XRD at ∼65 GPa. On decompression the PPv-Fe2O3 phase fully transforms back to hematite at pressures between ∼25 and 15 GPa.

  7. Polymorph selectivity of superconducting CuSe₂ through kinetic control of solid-state metathesis.

    PubMed

    Martinolich, Andrew J; Kurzman, Joshua A; Neilson, James R

    2015-03-25

    Rational preparation of materials by design is a major goal of inorganic, solid-state, and materials chemists alike. Oftentimes, the use of nonmetallurgical reactions (e.g., chalcogenide fluxes, hydrothermal syntheses, and in this case solid-state metathesis) alters the thermodynamic driving force of the reaction and allows new, refractory, or otherwise energetically unfavorable materials to form under softer conditions. Taking this a step further, alteration of a metathesis reaction pathway can result in either the formation of the equilibrium marcasite polymorph (by stringent exclusion of air) or the kinetically controlled formation of the high-pressure pyrite polymorph of CuSe2 (by exposure to air). From analysis of the reaction coordinate with in situ synchrotron X-ray diffraction and pair distribution function analysis as well as differential scanning calorimetry, it is clear that the air-exposed reaction proceeds via slight, endothermic rearrangements of crystalline intermediates to form pyrite, which is attributed to partial solvation of the reaction from atmospheric humidity. In contrast, the air-free reaction proceeds via a significant exothermic process to form marcasite. Decoupling the formation of NaCl from the formation of CuSe2 enables kinetic control to be exercised over the resulting polymorph of these superconducting metal dichalcogenides. PMID:25746853

  8. High-Pressure Synthesis and Superconductivity of Ag-Doped Topological Crystalline Insulator SnTe (Sn1-xAgxTe with x = 0-0.5)

    NASA Astrophysics Data System (ADS)

    Mizuguchi, Yoshikazu; Miura, Osuke

    2016-05-01

    We have synthesized single-phase polycrystalline samples of Sn1-xAgxTe, i.e., the Ag-doped topological crystalline insulator SnTe, with a range of x ≤ 0.5 by a high-pressure synthesis method. The crystal structure of Sn1-xAgxTe at room temperature is a cubic NaCl type structure, which does not vary upon Ag substitution. Bulk superconductivity with a transition temperature of 2.4 K was observed for x = 0.15-0.25, and the optimal Ag content was x = 0.2. The Sn1-xAgxTe superconducting phase will be useful for understanding the superconductive nature and mechanisms of the carrier-doped SnTe system.

  9. Chemical Substitution and High Pressure Effects on Superconductivity in the LnOBiS2 (Ln = La-Nd) System

    NASA Astrophysics Data System (ADS)

    Fang, Y.; Wolowiec, C. T.; Yazici, D.; Maple, M. B.

    2015-12-01

    A large number of compounds which contain BiS2 layers exhibit enhanced superconductivity upon electron doping. Much interest and research effort has been focused on BiS2-based compounds which provide new opportunities for exploring the nature of superconductivity. Important to the study of BiS2-based superconductors is the relation between structure and superconductivity. By modifying either the superconducting BiS2 layers or the blocking layers in these layered compounds, one can effectively tune the lattice parameters, local atomic environment, electronic structure, and other physical properties of these materials. In this article, we will review some of the recent progress on research of the effects of chemical substitution in BiS2-based compounds, with special attention given to the compounds in the LnOBiS2 (Ln = La-Nd) system. Strategieswhich are reported to be essential in optimizing superconductivity of these materials will also be discussed.

  10. Collapse of CuO Double Chains and Suppression of Superconductivity in High-Pressure Phase of YBa2Cu4O8

    NASA Astrophysics Data System (ADS)

    Nakayama, Atsuko; Onda, Yusuke; Yamada, Shuhei; Fujihisa, Hiroshi; Sakata, Masafumi; Nakamoto, Yuki; Shimizu, Katsuya; Nakano, Satoshi; Ohmura, Ayako; Ishikawa, Fumihiro; Yamada, Yuh

    2014-09-01

    The crystal structure and electrical resistivity of YBa2Cu4O8 (Y124) were studied under high pressure up to 18 GPa using diamond-anvil cells, respectively, in order to clarify its conduction mechanism. Y124 causes the first-order phase-transition into the orthorhombic Immm at pressure around 11 GPa. The high-pressure phase (HPP) also shows the superconductivity, while the manner of temperature dependence of electrical resistance and the pressure dependence of transition temperature, Tc, drastically change above 11 GPa. The CuO2 plane persists in HPP but the CuO double chains collapse with the phase transition and transform into three-dimensional Cu-O network, resulting in the renewal of conduction system.

  11. Effects of cold high pressure densification on Cu sheathed Ba0.6K0.4Fe2As2 superconducting wire

    NASA Astrophysics Data System (ADS)

    Ding, Y.; Li, G. Z.; Yang, Y.; Kovacs, C. J.; Susner, M. A.; Sumption, M. D.; Sun, Y.; Zhuang, J. C.; Shi, Z. X.; Majoros, M.; Collings, E. W.

    2012-12-01

    Cu sheathed polycrystalline Ba0.6K0.4Fe2As2 superconducting wire was prepared by a two-step powder-in-tube method. A pressure of 2 GPa was applied to a short sample before heat treatment. Magnetization and transport measurements were performed to investigate the effects of cold high pressure densification on the microstructure and superconductivity. The cold pressed sample shows an improved self-field transport critical current density of 2.8 × 104 A/cm2 (Ic = 83 A) at 4.2 K, which is nearly as twice as the unpressed sample. However, both samples manifest pronounced weak-link behavior, suggesting the technique need to be further optimized. The comparison of properties between pressed and unpressed sample and related mechanism was discussed.

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

    NASA Astrophysics Data System (ADS)

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

    2016-05-01

    Three isotypic crystals, SiO2 (α-cristobalite), ɛ-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.

  13. High-pressure polymorphism of Fe[subscript 2]P and its implications for meteorites and Earth's core

    SciTech Connect

    Dera, P.; Lavina, B.; Borkowski, L.A.; Prakapenka, V.B.; Sutton, S.R.; Rivers, M.L.; Downs, R.T.; Boctor, N.Z.; Prewitt, C.T.

    2008-05-19

    Minerals with composition (Fe,Ni){sub 2}P, are rare, though important accessory phases in iron and chondritic meteorites. The occurrence of these minerals in meteorites is believed to originate either from the equilibrium condensation of protoplanetary materials in solar nebulae or from the later accretion and condensation processes in the cores of parent bodies. Fe-Ni phosphides are considered a possible candidate for a minor phase present in the Earth's core, and at least partially responsible for the observed density deficit with respect to pure iron. We report results of high-pressure high-temperature X-ray diffraction experiments with synthetic barringerite (Fe{sub 2}P) up to 40 GPa and 1400 K. A new phase transition to the Co{sub 2}Si-type structure has been found at 8.0 GPa, upon heating. The high-pressure phase can be metastably quenched to ambient conditions at room temperature, and then, if heated again, transforms back to barringerite, providing an important constraint on the thermodynamic history of meteorite.

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

    NASA Astrophysics Data System (ADS)

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

    2015-05-01

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

  15. Atomistic and Ab initio modeling of CaAl2O4 high-pressure polymorphs under Earth's mantle conditions

    NASA Astrophysics Data System (ADS)

    Eremin, N. N.; Grechanovsky, A. E.; Marchenko, E. I.

    2016-05-01

    Semi-empirical and ab initio theoretical investigation of crystal structure geometry, interatomic distances, phase densities and elastic properties for some CaAl2O4 phases under pressures up to 200 GPa was performed. Two independent simulation methods predicted the appearance of a still unknown super-dense CaAl2O4 modification. In this structure, the Al coordination polyhedron might be described as distorted one with seven vertices. Ca atoms were situated inside polyhedra with ten vertices and Ca-O distances from 1.96 to 2.49 Å. It became the densest modification under pressures of 170 GPa (density functional theory prediction) or 150 GPa (semi-empirical prediction). Both approaches indicated that this super-dense CaAl2O4 modification with a "stuffed α-PbO2" type structure could be a probable candidate for mutual accumulation of Ca and Al in the lower mantle. The existence of this phase can be verified experimentally using high pressure techniques.

  16. Experimental Investigation of Magnetic Superconducting and other Phase Transitions in Novel f-Electron Materials at Ultra-high Pressures using Designer Diamond Anvils

    SciTech Connect

    Maple, M. Brian; Jeffries, Jason R.; Ho, Pei-Chun; Butch, Nicholas P.

    2004-09-01

    Pressure is often used as a controlled parameter for the investigation of condensed matter systems. In particular, pressure experiments can provide valuable information into the nature of superconductivity, magnetism, and the coexistence of these two phenomena. Some f-electron, heavy-fermion materials display interesting and novel behavior at moderately low pressures achievable with conventional experimental techniques; however, a growing number of condensed matter systems require ultrahigh pressure techniques, techniques that generate significantly higher pressures than conventional methods, to sufficiently explore their important properties. To that end, we have been funded to develop an ultrahigh pressure diamond anvil cell facility at the University of California, San Diego (UCSD) in order to investigate superconductivity, magnetism, non-Fermi liquid behavior, and other phenomena. Our goals for the first year of this grant were as follows: (a) set up and test a suitable refrigerator; (b) set up a laser and spectrometer fluorescence system to determine the pressure within the diamond anvil cell; (c) perform initial resistivity measurements at moderate pressures from room temperature to liquid helium temperatures ({approx}1K); (d) investigate f-electron materials within our current pressure capabilities to find candidate materials for high-pressure studies. During the past year, we have ordered almost all the components required to set up a diamond anvil cell facility at UCSD, we have received and implemented many of the components that have been ordered, we have performed low pressure research on several materials, and we have engaged in a collaborative effort with Sam Weir at Lawrence Livermore National Lab (LLNL) to investigate Au4V under ultrahigh pressure in a designer diamond anvil cell (dDAC). This report serves to highlight the progress we have made towards developing an ultrahigh pressure research facility at UCSD, the research performed in the past year

  17. Polymorphism of iron at high pressure: A 3D phase-field model for displacive transitions with finite elastoplastic deformations

    NASA Astrophysics Data System (ADS)

    Vattré, A.; Denoual, C.

    2016-07-01

    A thermodynamically consistent framework for combining nonlinear elastoplasticity and multivariant phase-field theory is formulated at large strains. In accordance with the Clausius-Duhem inequality, the Helmholtz free energy and time-dependent constitutive relations give rise to displacive driving forces for pressure-induced martensitic phase transitions in materials. Inelastic forces are obtained by using a representation of the energy landscape that involves the concept of reaction pathways with respect to the point group symmetry operations of crystal lattices. On the other hand, additional elastic forces are derived for the most general case of large strains and rotations, as well as nonlinear, anisotropic, and different elastic pressure-dependent properties of phases. The phase-field formalism coupled with finite elastoplastic deformations is implemented into a three-dimensional Lagrangian finite element approach and is applied to analyze the iron body-centered cubic (α-Fe) into hexagonal close-packed (ɛ-Fe) phase transitions under high hydrostatic compression. The simulations exhibit the major role played by the plastic deformation in the morphological and microstructure evolution processes. Due to the strong long-range elastic interactions between variants without plasticity, a forward α → ɛ transition is energetically unfavorable and remains incomplete. However, plastic dissipation releases considerably the stored strain energy, leading to the α ↔ ɛ ↔α‧ (forward and reverse) polymorphic phase transformations with an unexpected selection of variants.

  18. Exploring the high-pressure behavior of the three known polymorphs of BiPO{sub 4}: Discovery of a new polymorph

    SciTech Connect

    Errandonea, D. García-Domene, B.; Santamaría-Perez, D.; Muñoz, A.; Rodríguez-Hernández, P.; Achary, S. N.; Tyagi, A. K.; Popescu, C.

    2015-03-14

    We have studied the structural behavior of bismuth phosphate under compression. We performed x-ray powder diffraction measurements up to 31.5 GPa and ab initio calculations. Experiments were carried out on different polymorphs: trigonal (phase I) and monoclinic (phases II and III). Phases I and III, at low pressure (P < 0.2–0.8 GPa), transform into phase II, which has a monazite-type structure. At room temperature, this polymorph is stable up to 31.5 GPa. Calculations support these findings and predict the occurrence of an additional transition from the monoclinic monazite-type to a tetragonal scheelite-type structure (phase IV). This transition was experimentally found after the simultaneous application of pressure (28 GPa) and temperature (1500 K), suggesting that at room temperature the transition might by hindered by kinetic barriers. Calculations also predict an additional phase transition at 52 GPa, which exceeds the maximum pressure achieved in the experiments. This transition is from phase IV to an orthorhombic barite-type structure (phase V). We also studied the axial and bulk compressibility of BiPO{sub 4}. Room-temperature pressure-volume equations of state are reported. BiPO{sub 4} was found to be more compressible than isomorphic rare-earth phosphates. The discovered phase IV was determined to be the less compressible polymorph of BiPO{sub 4}. On the other hand, the theoretically predicted phase V has a bulk modulus comparable with that of monazite-type BiPO{sub 4}. Finally, the isothermal compressibility tensor for the monazite-type structure is reported at 2.4 GPa showing that the direction of maximum compressibility is in the (0 1 0) plane at approximately 15° (21°) to the a axis for the case of our experimental (theoretical) study.

  19. Exploring the high-pressure behavior of the three known polymorphs of BiPO4: Discovery of a new polymorph

    NASA Astrophysics Data System (ADS)

    Errandonea, D.; Gomis, O.; Santamaría-Perez, D.; García-Domene, B.; Muñoz, A.; Rodríguez-Hernández, P.; Achary, S. N.; Tyagi, A. K.; Popescu, C.

    2015-03-01

    We have studied the structural behavior of bismuth phosphate under compression. We performed x-ray powder diffraction measurements up to 31.5 GPa and ab initio calculations. Experiments were carried out on different polymorphs: trigonal (phase I) and monoclinic (phases II and III). Phases I and III, at low pressure (P < 0.2-0.8 GPa), transform into phase II, which has a monazite-type structure. At room temperature, this polymorph is stable up to 31.5 GPa. Calculations support these findings and predict the occurrence of an additional transition from the monoclinic monazite-type to a tetragonal scheelite-type structure (phase IV). This transition was experimentally found after the simultaneous application of pressure (28 GPa) and temperature (1500 K), suggesting that at room temperature the transition might by hindered by kinetic barriers. Calculations also predict an additional phase transition at 52 GPa, which exceeds the maximum pressure achieved in the experiments. This transition is from phase IV to an orthorhombic barite-type structure (phase V). We also studied the axial and bulk compressibility of BiPO4. Room-temperature pressure-volume equations of state are reported. BiPO4 was found to be more compressible than isomorphic rare-earth phosphates. The discovered phase IV was determined to be the less compressible polymorph of BiPO4. On the other hand, the theoretically predicted phase V has a bulk modulus comparable with that of monazite-type BiPO4. Finally, the isothermal compressibility tensor for the monazite-type structure is reported at 2.4 GPa showing that the direction of maximum compressibility is in the (0 1 0) plane at approximately 15° (21°) to the a axis for the case of our experimental (theoretical) study.

  20. Superconductivity in Potassium-Doped Metallic Polymorphs of MoS2.

    PubMed

    Zhang, Renyan; Tsai, I-Ling; Chapman, James; Khestanova, Ekaterina; Waters, John; Grigorieva, Irina V

    2016-01-13

    Superconducting layered transition metal dichalcogenides (TMDs) stand out among other superconductors due to the tunable nature of the superconducting transition, coexistence with other collective electronic excitations (charge density waves), and strong intrinsic spin-orbit coupling. Molybdenum disulfide (MoS2) is the most studied representative of this family of materials, especially since the recent demonstration of the possibility to tune its critical temperature, Tc, by electric-field doping. However, just one of its polymorphs, band-insulator 2H-MoS2, has so far been explored for its potential to host superconductivity. We have investigated the possibility to induce superconductivity in metallic polytypes, 1T- and 1T'-MoS2, by potassium (K) intercalation. We demonstrate that at doping levels significantly higher than that required to induce superconductivity in 2H-MoS2, both 1T and 1T' phases become superconducting with Tc = 2.8 and 4.6 K, respectively. Unusually, K intercalation in this case is responsible both for the structural and superconducting phase transitions. By adding new members to the family of superconducting TMDs, our findings open the way to further manipulate and enhance the electronic properties of these technologically important materials. PMID:26612060

  1. Experimental Investigation of Magnetic Superconducting, and other Phase Transitions in Novel f-Electron Materials at Ultra-high Pressures Using Designer Diamond Anvils

    SciTech Connect

    Maple, M. Brian

    2005-09-13

    Pressure is a powerful control parameter, owing to its ability to affect crystal and electronic structure without introducing defects, for the investigation of condensed matter systems. Some f-electron, heavy-fermion materials display interesting and novel behavior when exposed to pressures achievable with conventional experimental techniques; however, a growing number of condensed matter systems require extreme conditions such as ultrahigh pressures, high magnetic fields, and ultralow temperatures to sufficiently explore the important properties. To that end, we have been funded to develop an ultrahigh pressure facility at the University of California, San Diego (UCSD) in order to investigate superconductivity, magnetism, non-Fermi liquid behavior, and other phenomena under extreme conditions. Our goals for the second year of this grant were as follows: (a) perform electrical resistivity measurements on novel samples at a myriad of pressures using conventional piston-cylinder techniques, Bridgman anvil techniques, and diamond anvil cell technology; (b) install, commission, and operate an Oxford Kelvinox MX-100 dilution refrigerator for access to ultralow temperatures and high magnetic fields. (c) continue the development of diamond anvil cell (DAC) technology. During the past year, we have successfully installed the Oxford Kelvinox MX-100 dilution refrigerator and verified its operability down to 12 mK. We have begun an experimental program to systematically investigate the f-electron compound URu2Si2 under pressure and in the presence of magnetic fields. We have also continued our collaborative work with Sam Weir at Lawrence Livermore National Laboratory (LLNL) on Au4V and implemented a new corollary study on Au1-xVx using ultrahigh pressures. We have continued developing our DAC facility by designing and constructing an apparatus for in situ pressure measurement as well as designing high pressure cells. This report serves to highlight the progress we have made

  2. Polytypism, polymorphism, and superconductivity in TaSe(2-x)Te(x).

    PubMed

    Luo, Huixia; Xie, Weiwei; Tao, Jing; Inoue, Hiroyuki; Gyenis, András; Krizan, Jason W; Yazdani, Ali; Zhu, Yimei; Cava, Robert Joseph

    2015-03-17

    Polymorphism in materials often leads to significantly different physical properties--the rutile and anatase polymorphs of TiO2 are a prime example. Polytypism is a special type of polymorphism, occurring in layered materials when the geometry of a repeating structural layer is maintained but the layer-stacking sequence of the overall crystal structure can be varied; SiC is an example of a material with many polytypes. Although polymorphs can have radically different physical properties, it is much rarer for polytypism to impact physical properties in a dramatic fashion. Here we study the effects of polytypism and polymorphism on the superconductivity of TaSe2, one of the archetypal members of the large family of layered dichalcogenides. We show that it is possible to access two stable polytypes and two stable polymorphs in the TaSe(2-x)Te(x) solid solution and find that the 3R polytype shows a superconducting transition temperature that is between 6 and 17 times higher than that of the much more commonly found 2H polytype. The reason for this dramatic change is not apparent, but we propose that it arises either from a remarkable dependence of Tc on subtle differences in the characteristics of the single layers present or from a surprising effect of the layer-stacking sequence on electronic properties that are typically expected to be dominated by the properties of a single layer in materials of this kind. PMID:25737540

  3. Structural and electrical properties under high pressure for the superconducting spin-ladder system Sr{sub 0.4}Ca{sub 13.6}Cu{sub 24}O{sub 41+{delta}}

    SciTech Connect

    Isobe, M.; Ohta, T.; Onoda, M.; Izumi, F.; Nakano, S.; Li, J.Q.; Matsui, Y.; Takayama-Muromachi, E.; Matsumoto, T.; Hayakawa, H.

    1998-01-01

    We studied structural and electrical properties under high pressure and low temperature for a S=1/2 Heisenberg two-leg ladder compound Sr{sub 0.4}Ca{sub 13.6}Cu{sub 24}O{sub 41+{delta}}. It showed a superconducting transition above 3 GPa with a maximum T{sub c} of 13 K. The Sr{sub 0.4}Ca{sub 13.6}Cu{sub 24}O{sub 41+{delta}} phase survives at least up to 9 GPa and down to 7 K without decomposition or phase transition, indicating that it is responsible for the observed superconductivity. The most important role of high pressure for realizing superconductivity is enhancement of the interaction between the Cu{sub 2}O{sub 3} ladder and the one-dimensional CuO{sub 2} chain which accelerates redistribution of holes via locally formed Cu{sub ladder}-O{sub chain} hybrid orbitals. Electrical property of the normal state is affected by the carrier density, dimensionality, random potential, and spin scattering which are related to structural modification under high pressure. {copyright} {ital 1998} {ital The American Physical Society}

  4. Polytypism, polymorphism, and superconductivity in TaSe2–xTex

    DOE PAGESBeta

    Luo, Huixia; Xie, Weiwei; Tao, Jing; Inoue, Hiroyuki; Gyenis, András; Krizan, Jason W.; Yazdani, Ali; Zhu, Yimei; Cava, Robert Joseph

    2015-03-03

    Polymorphism in materials often leads to significantly different physical properties - the rutile and anatase polymorphs of TiO₂ are a prime example. Polytypism is a special type of polymorphism, occurring in layered materials when the geometry of a repeating structural layer is maintained but the layer stacking sequence of the overall crystal structure can be varied; SiC is an example of a material with many polytypes. Although polymorphs can have radically different physical properties, it is much rarer for polytypism to impact physical properties in a dramatic fashion. Here we study the effects of polytypism and polymorphism on the superconductivitymore » of TaSe₂, one of the archetypal members of the large family of layered dichalcogenides. We show that it is possible to access 2 stable polytypes and 2 stable polymorphs in the TaSe2-xTex solid solution, and find that the 3R polytype shows a superconducting transition temperature that is between 6 and 17 times higher than that of the much more commonly found 2H polytype. Thus, the reason for this dramatic change is not apparent, but we propose that it arises either from a remarkable dependence of Tc on subtle differences in the characteristics of the single layers present, or from a surprising effect of the layer stacking sequence on electronic properties that instead are expected to be dominated by the properties of a single layer in materials of this kind.« less

  5. Spin-liquid polymorphism in a correlated electron system on the threshold of superconductivity

    PubMed Central

    Zaliznyak, Igor; Savici, Andrei T.; Lumsden, Mark; Tsvelik, Alexei; Hu, Rongwei; Petrovic, Cedomir

    2015-01-01

    We report neutron scattering measurements which reveal spin-liquid polymorphism in an “11” iron chalcogenide superconductor. It occurs when a poorly metallic magnetic state of FeTe is tuned toward superconductivity by substitution of a small amount of tellurium with isoelectronic sulfur. We observe a liquid-like magnetic response, which is described by the coexistence of two disordered magnetic phases with different local structures whose relative abundance depends on temperature. One is the ferromagnetic (FM) plaquette phase observed in undoped, nonsuperconducting FeTe, which preserves the C4 symmetry of the underlying square lattice and is favored at high temperatures, whereas the other is the antiferromagnetic plaquette phase with broken C4 symmetry, which emerges with doping and is predominant at low temperatures. These findings suggest the coexistence of and competition between two distinct liquid states, and a liquid–liquid phase transformation between these states, in the electronic spin system of FeTe1−x(S,Se)x. We have thus discovered the remarkable physics of competing spin-liquid polymorphs in a correlated electron system approaching superconductivity. Our results facilitate an understanding of large swaths of recent experimental data in unconventional superconductors. In particular, the phase with lower C2 local symmetry, whose emergence precedes superconductivity, naturally accounts for a propensity for forming electronic nematic states which have been observed experimentally, in cuprate and iron-based superconductors alike. PMID:26240327

  6. High pressure rinsing system comparison

    SciTech Connect

    D. Sertore; M. Fusetti; P. Michelato; Carlo Pagani; Toshiyasu Higo; Jin-Seok Hong; K. Saito; G. Ciovati; T. Rothgeb

    2007-06-01

    High pressure rinsing (HPR) is a key process for the surface preparation of high field superconducting cavities. A portable apparatus for the water jet characterization, based on the transferred momentum between the water jet and a load cell, has been used in different laboratories. This apparatus allows to collected quantitative parameters that characterize the HPR water jet. In this paper, we present a quantitative comparison of the different water jet produced by various nozzles routinely used in different laboratories for the HPR process

  7. Effect of atomic disorder and Ce doping on superconductivity of Ca3Rh4Sn13 : Electric transport properties under high pressure

    NASA Astrophysics Data System (ADS)

    Ślebarski, A.; Goraus, J.; Maśka, M. M.; Witas, P.; Fijałkowski, M.; Wolowiec, C. T.; Fang, Y.; Maple, M. B.

    2016-06-01

    We report the observation of a superconducting state below ˜8 K coexistent with a spin-glass state caused by atomic disorder in Ce substituted Ca3Rh4Sn13 . Measurements of specific heat, resistivity, and magnetism reveal the existence of inhomogeneous superconductivity in samples doped with Ce with superconducting critical temperatures Tc higher than those observed in the parent compound. For Ca3Rh4Sn13 , the negative value of the change in resistivity ρ with pressure P , d ρ /d P correlates well with the calculated decrease in the density of states (DOS) at the Fermi energy with P . Based on band-structure calculations performed under pressure, we demonstrate how the change in DOS would affect Tc of Ca3Rh4Sn13 under negative lattice pressure in samples that are strongly defected by quenching.

  8. Electrical Transport Experiments at High Pressure

    SciTech Connect

    Weir, S

    2009-02-11

    High-pressure electrical measurements have a long history of use in the study of materials under ultra-high pressures. In recent years, electrical transport experiments have played a key role in the study of many interesting high pressure phenomena including pressure-induced superconductivity, insulator-to-metal transitions, and quantum critical behavior. High-pressure electrical transport experiments also play an important function in geophysics and the study of the Earth's interior. Besides electrical conductivity measurements, electrical transport experiments also encompass techniques for the study of the optoelectronic and thermoelectric properties of materials under high pressures. In addition, electrical transport techniques, i.e., the ability to extend electrically conductive wires from outside instrumentation into the high pressure sample chamber have been utilized to perform other types of experiments as well, such as high-pressure magnetic susceptibility and de Haas-van Alphen Fermi surface experiments. Finally, electrical transport techniques have also been utilized for delivering significant amounts of electrical power to high pressure samples, for the purpose of performing high-pressure and -temperature experiments. Thus, not only do high-pressure electrical transport experiments provide much interesting and valuable data on the physical properties of materials extreme compression, but the underlying high-pressure electrical transport techniques can be used in a number of ways to develop additional diagnostic techniques and to advance high pressure capabilities.

  9. Effects of drawing and high-pressure sintering on the superconducting properties of (Ba,K)Fe2As2 powder-in-tube wires

    NASA Astrophysics Data System (ADS)

    Pyon, Sunseng; Yamasaki, Yuji; Kajitani, Hideki; Koizumi, Norikiyo; Tsuchiya, Yuji; Awaji, Satoshi; Watanabe, Kazuo; Tamegai, Tsuyoshi

    2015-12-01

    The evolution of the superconducting properties of round wires of (Ba,K)Fe2As2 fabricated by the powder-in-tube (PIT) method is systematically studied. After establishing the method to obtain the largest transport critical current density (J c) in round wires using the hot isostatic press technique, we investigated how the transition temperature (T c), J c, and microstructures change at each step of the wire fabrication. Unexpectedly, we find that superconducting properties of the wire core are significantly damaged by the drawing process. Systematic measurements of J c and T c of the core superconductor after each drawing and sintering process clarified the evolution of degradation by the drawing process and recovery by heat treatment.

  10. Strong enhancement of superconductivity at high pressures within the charge-density-wave states of 2 H -TaS2 and 2 H -TaSe2

    NASA Astrophysics Data System (ADS)

    Freitas, D. C.; Rodière, P.; Osorio, M. R.; Navarro-Moratalla, E.; Nemes, N. M.; Tissen, V. G.; Cario, L.; Coronado, E.; García-Hernández, M.; Vieira, S.; Núñez-Regueiro, M.; Suderow, H.

    2016-05-01

    We present measurements of the superconducting and charge-density-wave (CDW) critical temperatures (Tc and TCDW) as a function of pressure in the transition metal dichalchogenides 2 H -TaSe2 and 2 H -TaS2 . Resistance and susceptibility measurements show that Tc increases from temperatures below 1 K up to 8.5 K at 9.5 GPa in 2 H -TaS2 and 8.2 K at 23 GPa in 2 H -TaSe2 . We observe a kink in the pressure dependence of TCDW at about 4 GPa that we attribute to the lock-in transition from incommensurate CDW to commensurate CDW. Above this pressure, the commensurate TCDW slowly decreases, coexisting with superconductivity within our full pressure range.

  11. Superconductivity in Ternary Pnictide SrPd2Sb2 Polymorphs

    NASA Astrophysics Data System (ADS)

    Kase, Naoki; Suzuki, Harufumi; Tsukamoto, Takenori; Nakano, Tomohito; Takeda, Naoya

    2016-04-01

    Superconductivity was observed in SrPd2Sb2 polymorphs: a primitive tetragonal CaBe2Ge2-type (low-temperature phase, LT-SrPd2Sb2) structure and body-centered ThCr2Si2-type (high-temperature phase, HT-SrPd2Sb2) structure. The superconducting transition was observed at Tc = 1.95 (LT) and 0.6 K (HT). The specific heat C(T) showed a clear anomaly at Tc = 1.85 (LT) and 0.6 K (HT); thus, the superconductivity was of a bulk nature. The agreement with the Bardeen-Cooper-Schrieffer (BCS) curve indicated that the LT-SrPd2Sb2 superconductor was fully gapped. The values of electron-phonon coupling λep and density of state at Fermi level N(EF) in 122 compounds with the CaBe2Ge2-type and its related structure were evaluated to reveal the main factor that determines Tc. From our systematic analysis, Tc of this family can be explained by λep rather than N(EF).

  12. Correlation between superconductivity and structural properties under high pressure of iron pnictide superconductor Ce[subscript 0.6]Y[subscript 0.4]FeAsO[subscript 0.8]F[subscript 0.2

    SciTech Connect

    Kanagaraj, M.; Arumugam, S.; Kumar, Ravhi S.; Selvan, N.R. Tamil; Muthu, S. Esakki; Prakash, J.; Thakur, Gohil S.; Yoshino, H.; Murata, K.; Matsubayashi, K.; Uwatoko, Y.; Sinogeikin, S.; Cornelius, Andrew; Ganguli, A.K.; Zhao, Yusheng

    2012-02-28

    We report here the pressure dependence of the electrical resistivity and magnetic susceptibility of polycrystalline Ce{sub 0.6}Y{sub 0.4}FeAsO{sub 0.8}F{sub 0.2} superconductor in the temperature range 4 K to 300 K up to 8 GPa. In-situ high pressure-low temperature x-ray diffraction was performed at 8 K up to 32 GPa using synchrotron x-rays with helium pressure medium. The results show that the applied pressure slightly increases the T{sub c} up to 1 GPa and then it decreases on further pressure increase. The reduction of superconducting transition temperature occurs with a transition to a collapsed tetragonal phase and may be associated with a possible valence change of Ce.

  13. LETTER TO THE EDITOR: Metal (M) dopant centred local structures, high-pressure synthesis and bulk superconductivity in ?: M = Fe, Co, Ni

    NASA Astrophysics Data System (ADS)

    Shi, F.; Harris, R.; Bresser, W. J.; McDaniel, D.; Boolchand, P.

    1997-05-01

    Depression of 0953-8984/9/21/001/img9 by the dopants Fe or Co, but not Ni, is spectacularly reversed by synthesis of the titled cuprates at high P instead of ambient P of oxygen with 0953-8984/9/21/001/img9 enhanced from 32 to 82 K for M = Fe at x = 0.10. With Fe dopant, Mössbauer spectroscopy reveals a conversion of a tetrahedral (A) into a trigonal bipyramidal coordinated (C) Fe chain site by oxygen addition in the chains upon high-P processing. The A 0953-8984/9/21/001/img11 C site transformation is elucidated and extended to the case of Co dopant, and its consequences for superconducting behaviour discussed.

  14. Polytypism, polymorphism, and superconductivity in TaSe2–xTex

    SciTech Connect

    Luo, Huixia; Xie, Weiwei; Tao, Jing; Inoue, Hiroyuki; Gyenis, András; Krizan, Jason W.; Yazdani, Ali; Zhu, Yimei; Cava, Robert Joseph

    2015-03-03

    Polymorphism in materials often leads to significantly different physical properties - the rutile and anatase polymorphs of TiO₂ are a prime example. Polytypism is a special type of polymorphism, occurring in layered materials when the geometry of a repeating structural layer is maintained but the layer stacking sequence of the overall crystal structure can be varied; SiC is an example of a material with many polytypes. Although polymorphs can have radically different physical properties, it is much rarer for polytypism to impact physical properties in a dramatic fashion. Here we study the effects of polytypism and polymorphism on the superconductivity of TaSe₂, one of the archetypal members of the large family of layered dichalcogenides. We show that it is possible to access 2 stable polytypes and 2 stable polymorphs in the TaSe2-xTex solid solution, and find that the 3R polytype shows a superconducting transition temperature that is between 6 and 17 times higher than that of the much more commonly found 2H polytype. Thus, the reason for this dramatic change is not apparent, but we propose that it arises either from a remarkable dependence of Tc on subtle differences in the characteristics of the single layers present, or from a surprising effect of the layer stacking sequence on electronic properties that instead are expected to be dominated by the properties of a single layer in materials of this kind.

  15. Tunable high pressure lasers

    NASA Technical Reports Server (NTRS)

    Hess, R. V.

    1976-01-01

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

  16. Experimental Investigation of Magnetic, Superconducting, and other Phase Transitions in novel F-Electron Materials at Ultra-high Pressures - Final Progress Report

    SciTech Connect

    Maple, Brian; Jeffires, Jason

    2006-07-28

    This grant, entitled “Experimental investigation of magnetic, superconducting and other phase transitions in novel f-electron materials at ultrahigh pressures,” spanned the funding period from May 1st, 2003 until April 30th, 2006. The major goal of this grant was to develop and utilize an ultrahigh pressure facility—capable of achieving very low temperatures, high magnetic fields, and extreme pressures as well as providing electrical resistivity, ac susceptibility, and magnetization measurement capabilities under pressure—for the exploration of magnetic, electronic, and structural phases and any corresponding interactions between these states in novel f-electron materials. Realizing this goal required the acquisition, development, fabrication, and implementation of essential equipment, apparatuses, and techniques. The following sections of this report detail the establishment of an ultrahigh pressure facility (Section 1) and measurements performed during the funding period (Section 2), as well as summarize the research project (Section 3), project participants and their levels of support (Section 4), and publications and presentations (Section 5).

  17. The New Superconductor tP-SrPd2Bi2: Structural Polymorphism and Superconductivity in Intermetallics.

    PubMed

    Xie, Weiwei; Seibel, Elizabeth M; Cava, Robert J

    2016-04-01

    We consider a system where structural polymorphism suggests the possible existence of superconductivity through the implied structural instability. SrPd2Bi2 has two polymorphs, which can be controlled by the synthesis temperature: a tetragonal form (CaBe2Ge2-type) and a monoclinic form (BaAu2Sb2-type). Although the crystallographic difference between the two forms may, at first, seem trivial, we show that tetragonal SrPd2Bi2 is superconducting at 2.0 K, whereas monoclinic SrPd2Bi2 is not. We rationalize this finding and place it in context with other 1-2-2 phases. PMID:27010099

  18. Superconductivity

    SciTech Connect

    Langone, J.

    1989-01-01

    This book explains the theoretical background of superconductivity. Includes discussion of electricity, material fabrication, maglev trains, the superconducting supercollider, and Japanese-US competition. The authors reports the latest discoveries.

  19. High-pressure microfluidics

    NASA Astrophysics Data System (ADS)

    Hjort, K.

    2015-03-01

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

  20. High pressure furnace

    DOEpatents

    Morris, D.E.

    1993-09-14

    A high temperature high pressure furnace has a hybrid partially externally heated construction. A metallic vessel fabricated from an alloy having a composition of at least 45% nickel, 15% chrome, and 10% tungsten is utilized (the preferred alloy including 55% nickel, 22% chrome, 14% tungsten, 2% molybdenum, 3% iron (maximum) and 5% cobalt (maximum)). The disclosed alloy is fabricated into 11/4 or 2 inch, 32 mm or 50 mm bar stock and has a length of about 22 inches, 56 cm. This bar stock has an aperture formed therein to define a closed high temperature, high pressure oxygen chamber. The opposite and closed end of the vessel is provided with a small blind aperture into which a thermocouple can be inserted. The closed end of the vessel is inserted into an oven, preferably heated by standard nickel chrome electrical elements and having a heavily insulated exterior. 19 figures.

  1. High pressure furnace

    DOEpatents

    Morris, Donald E.

    1993-01-01

    A high temperature high pressure furnace has a hybrid partially externally heated construction. A metallic vessel fabricated from an alloy having a composition of at least 45% nickel, 15% chrome, and 10% tungsten is utilized (the preferred alloy including 55% nickel, 22% chrome, 14% tungsten, 2% molybdenum, 3% iron (maximum) and 5% cobalt (maximum). The disclosed alloy is fabricated into 11/4 or 2 inch, 32 mm or 50 mm bar stock and has a length of about 22 inches, 56 cm. This bar stock has an aperture formed therein to define a closed high temperature, high pressure oxygen chamber. The opposite and closed end of the vessel is provided with a small blind aperture into which a thermocouple can be inserted. The closed end of the vessel is inserted into an oven, preferably heated by standard nickel chrome electrical elements and having a heavily insulated exterior.

  2. High pressure oxygen furnace

    DOEpatents

    Morris, Donald E.

    1992-01-01

    A high temperature high pressure oxygen furnace having a hybrid partially externally heated construction is disclosed. A metallic bar fabricated from an alloy having a composition of at least 45% nickel, 15% chrome, and 10% tungsten is utilized (the preferred alloy including 55% nickel, 22% chrome, 14% tungsten, 2% molybdenum, 3% iron (maximum) and 5% cobalt (maximum). The disclosed alloy is fabricated into 11/4 inch bar stock and has a length of about 17 inches. This bar stock is gun drilled for over 16 inches of its length with 0.400 inch aperture to define a closed high temperature, high pressure oxygen chamber. The opposite and closed end of the bar is provided with a small support aperture into which both a support and a thermocouple can be inserted. The closed end of the gun drilled bar is inserted into an oven, preferably heated by standard nickel chrome electrical elements and having a heavily insulated exterior.

  3. High pressure oxygen furnace

    DOEpatents

    Morris, D.E.

    1992-07-14

    A high temperature high pressure oxygen furnace having a hybrid partially externally heated construction is disclosed. A metallic bar fabricated from an alloy having a composition of at least 45% nickel, 15% chrome, and 10% tungsten is utilized, the preferred alloy including 55% nickel, 22% chrome, 14% tungsten, 2% molybdenum, 3% iron (maximum) and 5% cobalt (maximum). The disclosed alloy is fabricated into 11/4 inch bar stock and has a length of about 17 inches. This bar stock is gun drilled for over 16 inches of its length with 0.400 inch aperture to define a closed high temperature, high pressure oxygen chamber. The opposite and closed end of the bar is provided with a small support aperture into which both a support and a thermocouple can be inserted. The closed end of the gun drilled bar is inserted into an oven, preferably heated by standard nickel chrome electrical elements and having a heavily insulated exterior. 5 figs.

  4. High pressure gas target

    NASA Astrophysics Data System (ADS)

    Gelbart, W.; Johnson, R. R.; Abeysekera, B.

    2012-12-01

    Compact, high pressure, high current gas target features all metal construction and semi-automatic window assembly change. The unique aspect of this target is the domed-shaped window. The Havar alloy window is electron beam welded to a metal ring, thus forming one, interchangeable assembly. The window assembly is sealed by knife-edges locked by a pneumatic toggle allowing a quick, in situ window change.

  5. Superconductivity

    NASA Astrophysics Data System (ADS)

    Yeo, Yung K.

    Many potential high-temperature superconductivity (HTS) military applications have been demonstrated by low-temperature superconductivity systems; they encompass high efficiency electric drives for naval vessels, airborne electric generators, energy storage systems for directed-energy weapons, electromechanical launchers, magnetic and electromagnetic shields, and cavity resonators for microwave and mm-wave generation. Further HST applications in militarily relevant fields include EM sensors, IR focal plane arrays, SQUIDs, magnetic gradiometers, high-power sonar sources, and superconducting antennas and inertial navigation systems. The development of SQUID sensors will furnish novel magnetic anomaly detection methods for ASW.

  6. High-pressure phase transitions of strontianite

    NASA Astrophysics Data System (ADS)

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

    2015-12-01

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

  7. HIGH PRESSURE DIES

    DOEpatents

    Wilson, W.B.

    1960-05-31

    A press was invented for subjecting specimens of bismuth, urania, yttria, or thoria to high pressures and temperatures. The press comprises die parts enclosing a space in which is placed an electric heater thermally insulated from the die parts so as not to damage them by heat. The die parts comprise two opposed inner frustoconical parts and an outer part having a double frustoconical recess receiving the inner parts. The die space decreases in size as the inner die parts move toward one another against the outer part and the inner parts, though very hard, do not fracture because of the mode of support provided by the outer part.

  8. HIGH PRESSURE GAS REGULATOR

    DOEpatents

    Ramage, R.W.

    1962-05-01

    A gas regulator operating on the piston and feedback principle is described. The device is particularly suitable for the delicate regulation of high pressure, i.e., 10,000 psi and above, gas sources, as well as being perfectly adaptable for use on gas supplies as low as 50 psi. The piston is adjustably connected to a needle valve and the movement of the piston regulates the flow of gas from the needle valve. The gas output is obtained from the needle valve. Output pressure is sampled by a piston feedback means which, in turn, regulates the movement of the main piston. When the output is other than the desired value, the feedback system initiates movement of the main piston to allow the output pressure to be corrected or to remain constant. (AEC)

  9. High pressure nitriding

    SciTech Connect

    Jung, M.; Hoffmann, F.T.; Mayr, P.; Minarski, P.

    1995-12-31

    The aim of the presented research project is the development of a new high pressure nitriding process, which avoids disadvantages of conventional nitriding processes and allows for new applications. Up to now, a nitriding furnace has been constructed and several investigations have been made in order to characterize the influence of pressure on the nitriding process. In this paper, connections between pressure in the range of 2 to 12 atm and the corresponding nitride layer formation for the steel grades AISI 1045, H11 and a nitriding steel are discussed. Results of the nitride layer formation are presented. For all steel grades, a growth of nitride layers with increasing pressure was obtained. Steels with passive layers, as the warm working steel H11, showed a better nitriding behavior at elevated pressure.

  10. High pressure mechanical seal

    NASA Technical Reports Server (NTRS)

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

    1996-01-01

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

  11. High pressure mechanical seal

    NASA Technical Reports Server (NTRS)

    Babel, Henry W. (Inventor); Fuson, Phillip L. (Inventor); Chickles, Colin D. (Inventor); Jones, Cherie A. (Inventor); Anderson, Raymond H. (Inventor)

    1995-01-01

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

  12. Chromium at High Pressure

    NASA Astrophysics Data System (ADS)

    Jaramillo, Rafael

    2012-02-01

    Chromium has long served as the archetype of spin density wave magnetism. Recently, Jaramillo and collaborators have shown that Cr also serves as an archetype of magnetic quantum criticality. Using a combination of x-ray diffraction and electrical transport measurements at high pressures and cryogenic temperatures in a diamond anvil cell, they have demonstrated that the N'eel transition (TN) can be continuously suppressed to zero, with no sign of a concurrent structural transition. The order parameter undergoes a broad regime of exponential suppression, consistent with the weak coupling paradigm, before deviating from a BCS-like ground state within a narrow but accessible quantum critical regime. The quantum criticality is characterized by mean field scaling of TN and non mean field scaling of the transport coefficients, which points to a fluctuation-induced reconstruction of the critical Fermi surface. A comparison between pressure and chemical doping as means to suppress TN sheds light on different routes to the quantum critical point and the relevance of Fermi surface nesting and disorder at this quantum phase transition. The work by Jaramillo et al. is broadly relevant to the study of magnetic quantum criticality in a physically pure and theoretically tractable system that balances elements of weak and strong coupling. [4pt] [1] R. Jaramillo, Y. Feng, J. Wang & T. F. Rosenbaum. Signatures of quantum criticality in pure Cr at high pressure. Proc. Natl. Acad. Sci. USA 107, 13631 (2010). [0pt] [2] R. Jaramillo, Y. Feng, J. C. Lang, Z. Islam, G. Srajer, P. B. Littlewood, D. B. McWhan & T. F. Rosenbaum. Breakdown of the Bardeen-Cooper-Schrieffer ground state at a quantum phase transition. Nature 459, 405 (2009).

  13. Superconductivity:

    NASA Astrophysics Data System (ADS)

    Sacchetti, N.

    In this paper a short historical account of the discovery of superconductivity and of its gradual development is given. The physical interpretation of its various aspects took about forty years (from 1911 to 1957) to reach a successful description of this phenomenon in terms of a microscopic theory At the very end it seemed that more or less everything could be reasonably interpreted even if modifications and refinements of the original theory were necessary. In 1986 the situation changed abruptly when a cautious but revolutionary paper appeared showing that superconductivity was found in certain ceramic oxides at temperatures above those up to then known. A rush of frantic experimental activity started world-wide and in less than one year it was shown that superconductivity is a much more widespread phenomenon than deemed before and can be found at temperatures well above the liquid air boiling point. The complexity and the number of the substances (mainly ceramic oxides) involved call for a sort of modern alchemy if compounds with the best superconducting properties are to be manufactured. We don't use the word alchemy in a deprecatory sense but just to emphasise that till now nobody can say why these compounds are what they are: superconductors.

  14. [High Pressure Gas Tanks

    NASA Technical Reports Server (NTRS)

    Quintana, Rolando

    2002-01-01

    Four high-pressure gas tanks, the basis of this study, were especially made by a private contractor and tested before being delivered to NASA Kennedy Space Center. In order to insure 100% reliability of each individual tank the staff at KSC decided to again submit the four tanks under more rigorous tests. These tests were conducted during a period from April 10 through May 8 at KSC. This application further validates the predictive safety model for accident prevention and system failure in the testing of four high-pressure gas tanks at Kennedy Space Center, called Continuous Hazard Tracking and Failure Prediction Methodology (CHTFPM). It is apparent from the variety of barriers available for a hazard control that some barriers will be more successful than others in providing protection. In order to complete the Barrier Analysis of the system, a Task Analysis and a Biomechanical Study were performed to establish the relationship between the degree of biomechanical non-conformities and the anomalies found within the system on particular joints of the body. This relationship was possible to obtain by conducting a Regression Analysis to the previously generated data. From the information derived the body segment with the lowest percentage of non-conformities was the neck flexion with 46.7%. Intense analysis of the system was conducted including Preliminary Hazard Analysis (PHA), Failure Mode and Effect Analysis (FMEA), and Barrier Analysis. These analyses resulted in the identification of occurrences of conditions, which may be becoming hazardous in the given system. These conditions, known as dendritics, may become hazards and could result in an accident, system malfunction, or unacceptable risk conditions. A total of 56 possible dendritics were identified. Work sampling was performed to observe the occurrence each dendritic. The out of control points generated from a Weighted c control chart along with a Pareto analysis indicate that the dendritics "Personnel not

  15. High pressure capillary connector

    DOEpatents

    Renzi, Ronald F.

    2005-08-09

    A high pressure connector capable of operating at pressures of 40,000 psi or higher is provided. This connector can be employed to position a first fluid-bearing conduit that has a proximal end and a distal end to a second fluid-bearing conduit thereby providing fluid communication between the first and second fluid-bearing conduits. The connector includes (a) an internal fitting assembly having a body cavity with (i) a lower segment that defines a lower segment aperture and (ii) an interiorly threaded upper segment, (b) a first member having a first member aperture that traverses its length wherein the first member aperture is configured to accommodate the first fluid-bearing conduit and wherein the first member is positioned in the lower segment of the internal fitting assembly, and (c) a second member having a second member aperture that traverses its length wherein the second member is positioned in the upper segment of the fitting assembly and wherein a lower surface of the second member is in contact with an upper surface of the first member to assert a compressive force onto the first member and wherein the first member aperture and the second member aperture are coaxial.

  16. Raman spectroscopy of triolein under high pressures

    NASA Astrophysics Data System (ADS)

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

    2010-03-01

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

  17. High-pressure neutron diffraction

    SciTech Connect

    Xu, Hongwu

    2011-01-10

    This lecture will cover progress and prospect of applications of high-pressure neutron diffraction techniques to Earth and materials sciences. I will first introduce general high-pressure research topics and available in-situ high-pressure techniques. Then I'll talk about high-pressure neutron diffraction techniques using two types of pressure cells: fluid-driven and anvil-type cells. Lastly, I will give several case studies using these techniques, particularly, those on hydrogen-bearing materials and magnetic transitions.

  18. Very high-pressure orogenic garnet peridotites

    PubMed Central

    Liou, J. G.; Zhang, R. Y.; Ernst, W. G.

    2007-01-01

    Mantle-derived garnet peridotites are a minor component in many very high-pressure metamorphic terranes that formed during continental subduction and collision. Some of these mantle rocks contain trace amounts of zircon and micrometer-sized inclusions. The constituent minerals exhibit pre- and postsubduction microstructures, including polymorphic transformation and mineral exsolution. Experimental, mineralogical, petrochemical, and geochronological characterizations using novel techniques with high spatial, temporal, and energy resolutions are resulting in unexpected discoveries of new phases, providing better constraints on deep mantle processes. PMID:17519341

  19. Very high-pressure orogenic garnet peridotites.

    PubMed

    Liou, J G; Zhang, R Y; Ernst, W G

    2007-05-29

    Mantle-derived garnet peridotites are a minor component in many very high-pressure metamorphic terranes that formed during continental subduction and collision. Some of these mantle rocks contain trace amounts of zircon and micrometer-sized inclusions. The constituent minerals exhibit pre- and postsubduction microstructures, including polymorphic transformation and mineral exsolution. Experimental, mineralogical, petrochemical, and geochronological characterizations using novel techniques with high spatial, temporal, and energy resolutions are resulting in unexpected discoveries of new phases, providing better constraints on deep mantle processes. PMID:17519341

  20. Nanoscale coherent intergrowthlike defects in a crystal of La1.9Ca1.1Cu2O6 +δ made superconducting by high-pressure oxygen annealing

    NASA Astrophysics Data System (ADS)

    Hu, Hefei; Zhu, Yimei; Shi, Xiaoya; Li, Qiang; Zhong, Ruidan; Schneeloch, John A.; Gu, Genda; Tranquada, John M.; Billinge, Simon J. L.

    2014-10-01

    Superconductivity with Tc=53.5 K has been induced in a large La1.9Ca1.1Cu2O6 (La-2126) single crystal by annealing in a high partial pressure of oxygen at 1200 °C. Using transmission electron microscopy techniques, we show that a secondary Ca-doped La2CuO4 (La-214) phase, not present in the as-grown crystal, appears as a coherent intergrowthlike defect as a consequence of the annealing. A corresponding secondary superconducting transition near 13 K is evident in the magnetization measurement. Electron energy-loss spectroscopy reveals a pre-edge peak at the O-K edge in the superconducting La-2126 phase, which is absent in the as-grown crystal, confirming the hole doping by interstitial oxygen.

  1. Nanoscale coherent intergrowthlike defects in a crystal of La1.9Ca1.1Cu2O6+δ made superconducting by high-pressure oxygen annealing

    DOE PAGESBeta

    Hu, Hefei; Zhu, Yimei; Shi, Xiaoya; Li, Qiang; Zhong, Ruidan; Schneeloch, John A.; Gu, Genda; Tranquada, John M.; Billinge, Simon J. L.

    2014-10-28

    Superconductivity with Tc = 53.5 K has been induced in a large La₁.₉Ca₁.₁Cu₂O₆ (La-2126) single crystal by annealing in a high partial-pressure of oxygen at 1200°C. Using transmission electron microscopy (TEM) techniques, we show that a secondary Ca-doped La₂CuO₄ (La-214) phase, not present in the as-grown crystal, appears as a coherent “intergrowth” as a consequence of the annealing. A corresponding secondary superconducting transition near 13 K is evident in the magnetization measurement. In this study, electron energy loss spectroscopy (EELS) reveals a pre-edge peak at the O K edge in the superconducting La-2126 phase, which is absent in the as-grownmore » crystal, confirming the hole-doping by interstitial oxygen.« less

  2. Electrokinetically pumped high pressure sprays

    DOEpatents

    Schoeniger, Joseph S.; Paul, Phillip H.; Schoeniger, Luke

    2005-11-01

    An electrokinetic pump capable of producing high pressure is combined with a nozzle having a submicron orifice to provide a high pressure spray device. Because of its small size, the device can be contained within medical devices such as an endoscope for delivering biological materials such as DNA, chemo therapeutic agents, or vaccines to tissues and cells.

  3. Electrokinetically pumped high pressure sprays

    DOEpatents

    Schoeniger, Joseph S.; Paul, Phillip H.; Schoeniger, Luke

    2002-01-01

    An electrokinetic pump capable of producing high pressure is combined with a nozzle having a submicron orifice to provide a high pressure spray device. Because of its small size, the device can be contained within medical devices such as an endoscope for delivering biological materials such as DNA, chemo therapeutic agents, or vaccines to tissues and cells.

  4. Fundamentals of high pressure adsorption

    SciTech Connect

    Zhou, Y.P.; Zhou, L.

    2009-12-15

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

  5. Phase transitions at high pressure in tetracyanoethylene

    NASA Astrophysics Data System (ADS)

    Mukhopadhyay, R.; Deb, S. K.; Das, Amitabh; Chaplot, S. L.

    2009-11-01

    We report in situ x-ray diffraction studies in tetracyanoethylene (TCNE) at high pressure using diamond anvil cell (DAC) at Elettra synchrotron source, Trieste, Italy. Experiments were performed with both the polymorphic phases (monoclinic and cubic) of TCNE as the starting phase. While starting with monoclinic (the high temperature stable) TCNE, it was found that the Bragg peaks get broadened with increase of pressure and above 5 GPa only few broad peaks remained to be observed. On release of pressure from 6.4 GPa, when the sample started turning black, the diffraction pattern at ambient pressure corresponds to cubic, the other crystalline phase of TCNE. Results reconfirm the monoclinic to cubic transition at high pressure but via an intermediate 'disordered' phase. This settles a number of conflicting issues. TCNE represents only system, which undergoes transition from one crystalline to another crystalline phase via a 'disordered' metastable phase at high pressure. When the starting phase was cubic (the low temperature stable) no apparent phase transition was observed up to 10.8 GPa.

  6. Development of high pressure gas cells at ISIS

    NASA Astrophysics Data System (ADS)

    Kirichek, O.; Done, R.; Goodway, C. M.; Kibble, M. G.; Evans, B.; Bowden, Z. A.

    2012-02-01

    High-pressure research is one of the fastest-growing areas of natural science, and one that attracts as diverse communities as those of physics, bio-physics, chemistry, materials science and earth science. In condensed matter physics there are a number of highly topical areas, such as quantum criticality, pressure-induced superconductivity or non-Fermi liquid behaviour, where pressure is a fundamental parameter. Reliable, safe and user-friendly high pressure gas handling systems with gas pressures up to 1GPa should make a significant impact on the range of science possible. The ISIS facility is participating in the NMI3 FP7 sample environment project supported by the European Commission which includes high pressure gas cell development. In this paper the progress in designing, manufacturing and testing a new generation of high pressure gas cells for neutron scattering experiments is discussed.

  7. Size and symmetry of the superconducting gap in the f.c.c. Cs3C60 polymorph close to the metal-Mott insulator boundary

    PubMed Central

    Potočnik, Anton; Krajnc, Andraž; Jeglič, Peter; Takabayashi, Yasuhiro; Ganin, Alexey Y.; Prassides, Kosmas; Rosseinsky, Matthew J.; Arčon, Denis

    2014-01-01

    The alkali fullerides, A3C60 (A = alkali metal) are molecular superconductors that undergo a transition to a magnetic Mott-insulating state at large lattice parameters. However, although the size and the symmetry of the superconducting gap, Δ, are both crucial for the understanding of the pairing mechanism, they are currently unknown for superconducting fullerides close to the correlation-driven magnetic insulator. Here we report a comprehensive nuclear magnetic resonance (NMR) study of face-centred-cubic (f.c.c.) Cs3C60 polymorph, which can be tuned continuously through the bandwidth-controlled Mott insulator-metal/superconductor transition by pressure. When superconductivity emerges from the insulating state at large interfullerene separations upon compression, we observe an isotropic (s-wave) Δ with a large gap-to-superconducting transition temperature ratio, 2Δ0/kBTc = 5.3(2) [Δ0 = Δ(0 K)]. 2Δ0/kBTc decreases continuously upon pressurization until it approaches a value of ~3.5, characteristic of weak-coupling BCS theory of superconductivity despite the dome-shaped dependence of Tc on interfullerene separation. The results indicate the importance of the electronic correlations for the pairing interaction as the metal/superconductor-insulator boundary is approached. PMID:24584087

  8. High-Pressure Fluorescence Spectroscopy.

    PubMed

    Maeno, Akihiro; Akasaka, Kazuyuki

    2015-01-01

    The combination of fluorescence and pressure perturbation is a widely used technique to study the effect of pressure on a protein system to obtain thermodynamic, structural and kinetic information on proteins. However, we often encounter the situation where the available pressure range up to 400 MPa of most commercial high-pressure fluorescence spectrometers is insufficient for studying highly pressure-stable proteins like inhibitors and allergenic proteins. To overcome the difficulty, we have recently developed a new high-pressure fluorescence system that allows fluorescence measurements up to 700 MPa. Here we describe the basic design of the apparatus and its application to study structural and thermodynamic properties of a couple of highly stable allergenic proteins, hen lysozyme and ovomucoid, using Tryptophan and Tyrosine/Tyrosinate fluorescence, respectively. Finally, we discuss the utility and the limitation of Trp and Tyr fluorescence. We discuss pitfalls of fluorescence technique and importance of simultaneous use of other high-pressure spectroscopy, particularly high-pressure NMR spectroscopy. PMID:26174405

  9. Stable Lithium Argon compounds under high pressure

    PubMed Central

    Li, Xiaofeng; Hermann, Andreas; Peng, Feng; Lv, Jian; Wang, Yanchao; Wang, Hui; Ma, Yanming

    2015-01-01

    High pressure can fundamentally alter the bonding patterns of chemical elements. Its effects include stimulating elements thought to be “inactive” to form unexpectedly stable compounds with unusual chemical and physical properties. Here, using an unbiased structure search method based on CALYPSO methodology and density functional total energy calculations, the phase stabilities and crystal structures of Li−Ar compounds are systematically investigated at high pressure up to 300 GPa. Two unexpected LimArn compounds (LiAr and Li3Ar) are predicted to be stable above 112 GPa and 119 GPa, respectively. A detailed analysis of the electronic structure of LiAr and Li3Ar shows that Ar in these compounds attracts electrons and thus behaves as an oxidizing agent. This is markedly different from the hitherto established chemical reactivity of Ar. Moreover, we predict that the P4/mmm phase of Li3Ar has a superconducting transition temperature of 17.6 K at 120 GPa. PMID:26582083

  10. Stable Lithium Argon compounds under high pressure

    NASA Astrophysics Data System (ADS)

    Li, Xiaofeng; Hermann, Andreas; Peng, Feng; Lv, Jian; Wang, Yanchao; Wang, Hui; Ma, Yanming

    2015-11-01

    High pressure can fundamentally alter the bonding patterns of chemical elements. Its effects include stimulating elements thought to be “inactive” to form unexpectedly stable compounds with unusual chemical and physical properties. Here, using an unbiased structure search method based on CALYPSO methodology and density functional total energy calculations, the phase stabilities and crystal structures of Li-Ar compounds are systematically investigated at high pressure up to 300 GPa. Two unexpected LimArn compounds (LiAr and Li3Ar) are predicted to be stable above 112 GPa and 119 GPa, respectively. A detailed analysis of the electronic structure of LiAr and Li3Ar shows that Ar in these compounds attracts electrons and thus behaves as an oxidizing agent. This is markedly different from the hitherto established chemical reactivity of Ar. Moreover, we predict that the P4/mmm phase of Li3Ar has a superconducting transition temperature of 17.6 K at 120 GPa.

  11. High pressure liquid level monitor

    DOEpatents

    Bean, Vern E.; Long, Frederick G.

    1984-01-01

    A liquid level monitor for tracking the level of a coal slurry in a high-pressure vessel including a toroidal-shaped float with magnetically permeable bands thereon disposed within the vessel, two pairs of magnetic field generators and detectors disposed outside the vessel adjacent the top and bottom thereof and magnetically coupled to the magnetically permeable bands on the float, and signal processing circuitry for combining signals from the top and bottom detectors for generating a monotonically increasing analog control signal which is a function of liquid level. The control signal may be utilized to operate high-pressure control valves associated with processes in which the high-pressure vessel is used.

  12. Electrokinetic high pressure hydraulic system

    DOEpatents

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

    2003-06-03

    An electrokinetic high pressure hydraulic pump for manipulating fluids in capillary-based system. 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.

  13. Electrokinetic high pressure hydraulic system

    DOEpatents

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

    2001-01-01

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

  14. Electrokinetic high pressure hydraulic system

    DOEpatents

    Paul, Phillip H.; Rakestraw, David J.

    2000-01-01

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

  15. High-pressure well design

    SciTech Connect

    Krus, H.; Prieur, J.M. )

    1991-12-01

    Shell U.K. E and P (Shell Expro), operator in the U.K. North Sea on behalf of Shell and Esso, plans to drill 20 high-pressure oil and gas wells during the next 2 years. This paper reports that the well design is based on new standards developed after the U.K. Dept. of Energy restriction on high-pressure drilling in the autumn of 1988. Studies were carried out to optimize casing design and drilling performance on these wells. Several casing schemes, including a slim-hole option, were analyzed. The material specifications for casing and drillpipe were reviewed to ensure that they met the loads imposed during drilling, well- control, and well-testing operations. The requirement for sour-service material was weighted against possible H{sub 2}S adsorption by the mud film. As a result, a new drillstring and two high-pressure casing schemes have been specified. The high-pressure casing scheme used depends on the maximum expected surface pressure.

  16. High pressure neon arc lamp

    DOEpatents

    Sze, Robert C.; Bigio, Irving J.

    2003-07-15

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

  17. High-pressure water facility

    NASA Technical Reports Server (NTRS)

    2006-01-01

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

  18. Low-temperature heat capacities, entropies and enthalpies of Mg2SiO4 polymorphs, and α-β-γ and post-spinel phase relations at high pressure

    NASA Astrophysics Data System (ADS)

    Akaogi, M.; Takayama, H.; Kojitani, H.; Kawaji, H.; Atake, T.

    2007-04-01

    The low-temperature isobaric heat capacities ( C p) of β- and γ-Mg2SiO4 were measured at the range of 1.8 304.7 K with a thermal relaxation method using the Physical Property Measurement System. The obtained standard entropies ( S°298) of β- and γ-Mg2SiO4 are 86.4 ± 0.4 and 82.7 ± 0.5 J/mol K, respectively. Enthalpies of transitions among α-, β- and γ-Mg2SiO4 were measured by high-temperature drop-solution calorimetry with gas-bubbling technique. The enthalpies of the α-β and β-γ transitions at 298 K (Δ H°298) in Mg2SiO4 are 27.2 ± 3.6 and 12.9 ± 3.3 kJ/mol, respectively. Calculated α-β and β-γ transition boundaries were generally consistent with those determined by high-pressure experiments within the errors. Combining the measured Δ H°298 and Δ S°298 with selected data of in situ X-ray diffraction experiments at high pressure, the Δ H°298 and Δ S°298 of the α-β and β-γ transitions were optimized. Calculation using the optimized data tightly constrained the α-β and β-γ transition boundaries in the P, T space. The slope of α-β transition boundary is 3.1 MPa/K at 13.4 GPa and 1,400 K, and that of β-γ boundary 5.2 MPa/K at 18.7 GPa and 1,600 K. The post-spinel transition boundary of γ-Mg2SiO4 to MgSiO3 perovskite plus MgO was also calculated, using the optimized data on γ-Mg2SiO4 and available enthalpy and entropy data on MgSiO3 perovskite and MgO. The calculated post-spinel boundary with a Clapeyron slope of -2.6 ± 0.2 MPa/K is located at pressure consistent with the 660 km discontinuity, considering the error of the thermodynamic data.

  19. High-pressure creep tests

    NASA Technical Reports Server (NTRS)

    Bhattacharyya, S.; Lamoureux, J.; Hales, C.

    1986-01-01

    The automotive Stirling engine, presently being developed by the U.S. Department of Energy and NASA, uses high-pressure hydrogen as a working fluid; its long-term effects on the properties of alloys are relatively unknown. Hence, creep-rupture testing of wrought and cast high-temperature alloys in high-pressure hydrogen is an essential part of the research supporting the development of the Stirling cycle engine. Attention is given to the design, development, and operation of a 20 MPa hydrogen high-temperature multispecimen creep-rupture possessing high sensitivity. This pressure vessel allows for the simultaneous yet independent testing of six specimens. The results from one alloy, XF-818, are presented to illustrate how reported results are derived from the raw test data.

  20. Cryogenic High Pressure Sensor Module

    NASA Technical Reports Server (NTRS)

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

    1999-01-01

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

  1. Electronic phenomena at high pressure

    SciTech Connect

    Drickamer, H.G.

    1981-01-01

    High pressure research is undertaken either to investigate intrinsically high pressure phenomena or in order to get a better understanding of the effect of the chemical environment on properties or processes at one atmosphere. Studies of electronic properties which fall in each area are presented. Many molecules and complexes can assume in the excited state different molecular arrangements and intermolecular forces depending on the medium. Their luminescence emission is then very different in a rigid or a fluid medium. With pressure one can vary the viscosity of the medium by a factor of 10/sup 7/ and thus control the distribution and rate of crossing between the excited state conformations. In rare earth chelates the efficiency of 4f-4f emission of the rare earth is controlled by the feeding from the singlet and triplet levels of the organic ligand. These ligand levels can be strongly shifted by pressure. A study of the effect of pressure on the emission efficiency permits one to understand the effect of ligand chemistry at one atmosphere. At high pressure electronic states can be sufficiently perturbed to provide new ground states. In EDA complexes these new ground states exhibit unusual chemical reactivity and new products.

  2. Nano Materials Under High Pressures

    SciTech Connect

    Karmakar, S.; Garg, Nandini; Sharma, Surinder M.

    2010-12-01

    Materials comprising of units or particles of the size of a few nano-meters have significantly different high pressure behavior than their bulk counterparts. This is abundantly elucidated in our studies on transition metals encapsulated in carbon nanotubes. Carbon nanotubes filled with Argon also show that it affects the behavior of tubes as well as argon. Studies on nano-crystalline Si displays an interesting crystalline-amorphous reversible transition, unique of its kind in elemental solids. We also demonstrate that in some cases of nanocrystalline samples, a phase perceived to be an intermediate-transient may be actually realized.

  3. Electokinetic high pressure hydraulic system

    DOEpatents

    Paul, Phillip H.; Rakestraw, David J.

    2000-01-01

    A compact high pressure hydraulic system having no moving parts for converting electric potential to hydraulic force and for manipulating fluids. Electro-osmotic flow is used to provide a valve and means to compress a fluid or gas in a capillary-based system. By electro-osmotically moving an electrolyte between a first position opening communication between a fluid inlet and outlet and a second position closing communication between the fluid inlet and outlet the system can be configured as a valve. The system can also be used to generate forces as large as 2500 psi that can be used to compress a fluid, either a liquid or a gas.

  4. Improved high pressure turbine shroud

    NASA Technical Reports Server (NTRS)

    Bessen, I. I.; Rigney, D. V.; Schwab, R. C.

    1977-01-01

    A new high pressure turbine shroud material has been developed from the consolidation of prealloyed powders of Ni, Cr, Al and Y. The new material, a filler for cast turbine shroud body segments, is called Genaseal. The development followed the identification of oxidation resistance as the primary cause of prior shroud deterioration, since conversion to oxides reduces erosion resistance and increases spalling under thermal cycled engine conditions. The NICrAlY composition was selected in preference to NIAL and FeCRALY alloys, and was formulated to a prescribed density range that offers suitable erosion resistance, thermal conductivity and elastic modulus for improved behavior as a shroud.

  5. High pressure xenon ionization detector

    DOEpatents

    Markey, John K.

    1989-01-01

    A method is provided for detecting ionization comprising allowing particles that cause ionization to contact high pressure xenon maintained at or near its critical point and measuring the amount of ionization. An apparatus is provided for detecting ionization, the apparatus comprising a vessel containing a ionizable medium, the vessel having an inlet to allow high pressure ionizable medium to enter the vessel, a means to permit particles that cause ionization of the medium to enter the vessel, an anode, a cathode, a grid and a plurality of annular field shaping rings, the field shaping rings being electrically isolated from one another, the anode, cathode, grid and field shaping rings being electrically isolated from one another in order to form an electric field between the cathode and the anode, the electric field originating at the anode and terminating at the cathode, the grid being disposed between the cathode and the anode, the field shaping rings being disposed between the cathode and the grid, the improvement comprising the medium being xenon and the vessel being maintained at a pressure of 50 to 70 atmospheres and a temperature of 0.degree. to 30.degree. C.

  6. High pressure xenon ionization detector

    DOEpatents

    Markey, J.K.

    1989-11-14

    A method is provided for detecting ionization comprising allowing particles that cause ionization to contact high pressure xenon maintained at or near its critical point and measuring the amount of ionization. An apparatus is provided for detecting ionization, the apparatus comprising a vessel containing a ionizable medium, the vessel having an inlet to allow high pressure ionizable medium to enter the vessel, a means to permit particles that cause ionization of the medium to enter the vessel, an anode, a cathode, a grid and a plurality of annular field shaping rings, the field shaping rings being electrically isolated from one another, the anode, cathode, grid and field shaping rings being electrically isolated from one another in order to form an electric field between the cathode and the anode, the electric field originating at the anode and terminating at the cathode, the grid being disposed between the cathode and the anode, the field shaping rings being disposed between the cathode and the grid, the improvement comprising the medium being xenon and the vessel being maintained at a pressure of 50 to 70 atmospheres and a temperature of 0 to 30 C. 2 figs.

  7. Steam Oxidation at High Pressure

    SciTech Connect

    Holcomb, Gordon R.; Carney, Casey

    2013-07-19

    A first high pressure test was completed: 293 hr at 267 bar and 670{degrees}C; A parallel 1 bar test was done for comparison; Mass gains were higher for all alloys at 267 bar than at 1 bar; Longer term exposures, over a range of temperatures and pressures, are planned to provide information as to the commercial implications of pressure effects; The planned tests are at a higher combination of temperatures and pressures than in the existing literature. A comparison was made with longer-term literature data: The short term exposures are largely consistent with the longer-term corrosion literature; Ferritic steels--no consistent pressure effect; Austenitic steels--fine grain alloys less able to maintain protective chromia scale as pressure increases; Ni-base alloys--more mass gains above 105 bar than below. Not based on many data points.

  8. Ultra-High-Pressure Water

    NASA Astrophysics Data System (ADS)

    French, Martin; Redmer, Ronald; Mattsson, Thomas R.

    2008-03-01

    We present the first all-electron QMD simulations of water in the ultra-high-pressure regime up to conditions typical for the deep interior of Jupiter and Saturn. We calculate the equation of state and the Hugoniot curve and study the structural properties via pair correlation functions and self-diffusion coefficients. In the ultra-dense superionic phase, we find a continuous transition in the protonic structure. Water at conditions of Jupiter's core (i.e. 20000 K, 50 Mbar, 11 g/cm^3) forms a fluid dense plasma. Supported by the DFG within SFB 652. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States DOE's National Nuclear Security Administration under contract DE-AC04-94AL85000.

  9. The analysis of high pressure experimental data

    NASA Technical Reports Server (NTRS)

    Schlosser, Herbert; Ferrante, John

    1991-01-01

    This letter is concerned with the analysis of high pressure experimental data. It is demonstrated that ln H plots based on the Vinet et al. (1988) universal equation of state are a simple sensitive means for identifying anomalous P-V data in high pressure experiments and for detecting structural and phase transitions in solids subjected to high pressure.

  10. High Pressure Electrolyzer System Evaluation

    NASA Technical Reports Server (NTRS)

    Prokopius, Kevin; Coloza, Anthony

    2010-01-01

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

  11. High-pressure crystal structures of TaAs from first-principles calculations

    NASA Astrophysics Data System (ADS)

    Lu, Mingchun; Guo, Yanan; Zhang, Miao; Liu, Hanyu; Tse, John S.

    2016-08-01

    In this work, we systematically studied the phase transition of TaAs under high pressures and reported three high-pressure structures P-6m2 (hexagonal, stable at 13-32 GPa), P21/c (monoclinic, stable at 32-103 GPa) and Pm-3m (cubic, stable above 103 GPa), by using particle swarm optimization in combination with first principles electronic structure methodology. All predicted structures are dynamically stable, since there is no imaginary mode to be found in the whole Brillouin zone. At high pressures, the TaAs was found to become superconductor with the superconducting critical temperature of ~1 K at about 100 GPa.

  12. High-Pressure Lightweight Thrusters

    NASA Technical Reports Server (NTRS)

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

    2013-01-01

    Returning samples of Martian soil and rock to Earth is of great interest to scientists. There were numerous studies to evaluate Mars Sample Return (MSR) mission architectures, technology needs, development plans, and requirements. The largest propulsion risk element of the MSR mission is the Mars Ascent Vehicle (MAV). Along with the baseline solid-propellant vehicle, liquid propellants have been considered. Similar requirements apply to other lander ascent engines and reaction control systems. The performance of current state-ofthe- art liquid propellant engines can be significantly improved by increasing both combustion temperature and pressure. Pump-fed propulsion is suggested for a single-stage bipropellant MAV. Achieving a 90-percent stage propellant fraction is thought to be possible on a 100-kg scale, including sufficient thrust for lifting off Mars. To increase the performance of storable bipropellant rocket engines, a high-pressure, lightweight combustion chamber was designed. Iridium liner electrodeposition was investigated on complex-shaped thrust chamber mandrels. Dense, uniform iridium liners were produced on chamber and cylindrical mandrels. Carbon/carbon composite (C/C) structures were braided over iridium-lined mandrels and densified by chemical vapor infiltration. Niobium deposition was evaluated for forming a metallic attachment flange on the carbon/ carbon structure. The new thrust chamber was designed to exceed state-of-the-art performance, and was manufactured with an 83-percent weight savings. High-performance C/Cs possess a unique set of properties that make them desirable materials for high-temperature structures used in rocket propulsion components, hypersonic vehicles, and aircraft brakes. In particular, more attention is focused on 3D braided C/Cs due to their mesh-work structure. Research on the properties of C/Cs has shown that the strength of composites is strongly affected by the fiber-matrix interfacial bonding, and that weakening

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

    PubMed

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

    2015-09-10

    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 of phase III deteriorates significantly. On decompression phase III persists to 0.54 GPa before transformation to the ambient pressure phase. There is significant loss of signal after decompression, signifying that there has been a loss of material through polymerization. The orientation of the molecules in phase III provides insight into the possible polymerization reaction. PMID:26289930

  14. Phase transitions and hydrogen bonding in deuterated calcium hydroxide: High-pressure and high-temperature neutron diffraction measurements

    SciTech Connect

    Iizuka, Riko; Komatsu, Kazuki; Kagi, Hiroyuki; Nagai, Takaya; Sano-Furukawa, Asami; Hattori, Takanori; Gotou, Hirotada; Yagi, Takehiko

    2014-10-15

    In situ neutron diffraction measurements combined with the pulsed neutron source at the Japan Proton Accelerator Research Complex (J-PARC) were conducted on high-pressure polymorphs of deuterated portlandite (Ca(OD){sub 2}) using a Paris–Edinburgh cell and a multi-anvil press. The atomic positions including hydrogen for the unquenchable high-pressure phase at room temperature (phase II′) were first clarified. The bent hydrogen bonds under high pressure were consistent with results from Raman spectroscopy. The structure of the high-pressure and high-temperature phase (Phase II) was concordant with that observed previously by another group for a recovered sample. The observations elucidate the phase transition mechanism among the polymorphs, which involves the sliding of CaO polyhedral layers, position modulations of Ca atoms, and recombination of Ca–O bonds accompanied by the reorientation of hydrogen to form more stable hydrogen bonds. - Graphical abstract: Crystal structures of high-pressure polymorphs of Ca(OD){sub 2}, (a) at room temperature (phase II′) and (b) at high temperature (phase II), were obtained from in situ neutron diffraction measurements. - Highlights: • We measured in situ neutron diffraction of high-pressure polymorphs of Ca(OD){sub 2}. • Hydrogen positions of the high-pressure phase are first determined. • The obtained hydrogen bonds reasonably explain Raman peaks of OH stretching modes. • A phase transition mechanism among the polymorphs is proposed.

  15. Superconductivity in highly disordered dense carbon disulfide

    PubMed Central

    Dias, Ranga P.; Yoo, Choong-Shik; Struzhkin, Viktor V.; Kim, Minseob; Muramatsu, Takaki; Matsuoka, Takahiro; Ohishi, Yasuo; Sinogeikin, Stanislav

    2013-01-01

    High pressure plays an increasingly important role in both understanding superconductivity and the development of new superconducting materials. New superconductors were found in metallic and metal oxide systems at high pressure. However, because of the filled close-shell configuration, the superconductivity in molecular systems has been limited to charge-transferred salts and metal-doped carbon species with relatively low superconducting transition temperatures. Here, we report the low-temperature superconducting phase observed in diamagnetic carbon disulfide under high pressure. The superconductivity arises from a highly disordered extended state (CS4 phase or phase III[CS4]) at ∼6.2 K over a broad pressure range from 50 to 172 GPa. Based on the X-ray scattering data, we suggest that the local structural change from a tetrahedral to an octahedral configuration is responsible for the observed superconductivity. PMID:23818624

  16. High Pressure XANES studies on Mn dopeHigh Pressure XANES studies on Mn doped Bi2 Te3

    NASA Astrophysics Data System (ADS)

    Light, Brian; Kumar, Ravhi; Baker, Jason; Dharmalingam, Prabhakaran; Park, Changyong; Unlv Team; Hpcat; Carnegie Institute Of Washington Collaboration

    Bi2Te3, Bi2Se3, and Sb2Te3 are narrow band-gap semiconductors have been extensively studied along with their alloys due to their promising technological applications as thermoelectric materials. More recently pressure induced superconductivity and structural transition have been observed in these materials around 7 GPa [1, 2]. Here we have performed high pressure x-ray near edge spectroscopy (XANES) measurements at Bi L-III edge on Mn (0.1) doped Bi2Te3 samples to understand the variation of the Bi valence across the pressure induced superconductivity regime. We have inferred notable changes in the Bi valence at high pressure conditions. The results will be discussed in detail. Work at the University of Nevada Las Vegas (ALC) is funded by U.S. Department of Energy Award DE-SC0001928. Portions of this work were performed at HPCAT (Sector 16), Advanced Photon Source (APS), Argonne National Laboratory. HPCAT is supported by DOE-BES, DOE-NNSA, NSF, and the W.M. Keck Foundation. APS is supported by DOE-BES, under Contract No. DE-AC02-06CH1135.

  17. NETL- High-Pressure Combustion Research Facility

    ScienceCinema

    None

    2014-06-26

    NETL's High-Pressure Combustion Facility is a unique resource within the National Laboratories system. It provides the test capabilities needed to evaluate new combustion concepts for high-pressure, high-temperature hydrogen and natural gas turbines. These concepts will be critical for the next generation of ultra clean, ultra efficient power systems.

  18. Basic requirements in experiments under high pressure

    NASA Astrophysics Data System (ADS)

    Singh, Yadunath; Shekhawat, M. S.; Suthar, Bhuvneshwer

    2016-05-01

    The basic requirement for the high pressure and temperature dependent measurements is reviewed in this article, mainly from an experimental aspect. After a brief description of the different types of high pressure cells, techniques for low and high-temperature measurements are presented.

  19. NETL- High-Pressure Combustion Research Facility

    SciTech Connect

    2013-07-08

    NETL's High-Pressure Combustion Facility is a unique resource within the National Laboratories system. It provides the test capabilities needed to evaluate new combustion concepts for high-pressure, high-temperature hydrogen and natural gas turbines. These concepts will be critical for the next generation of ultra clean, ultra efficient power systems.

  20. High-Pressure Research in Mineral Physics

    NASA Astrophysics Data System (ADS)

    Hazen, Robert M.

    Advances in high-pressure science and technology have transformed solid Earth geophysics. In the last decade, high-pressure researchers have reproduced the full range of Earth pressure and temperature conditions in the laboratory, and they have synthesized single crystals of dense silicate phases, unknown at the Earth's surface yet suspected to comprise most of the Earth's volume. These and other extraordinary accomplishments are chronicled in High-Pressure Research in Mineral Physics, an outgrowth of the third U.S.-Japan High-Pressure seminar, held in Kahuku, Hawaii, January, 13-16, 1986. The well produced and reasonably priced volume is dedicated to Syun-iti Akimoto, dean of Japanese high-pressure research, who recently retired from the University of Tokyo. Akimoto's fascinating historical account of pressure research at the Institute for Solid State Physics at the University of Tokyo is the leadoff article.

  1. Investigation Into The Effectiveness of The JLAB High Pressure Rinse System

    SciTech Connect

    John Mammosser; Timothy Rothgeb; Tong Wang; Andy Wu

    2003-05-01

    As part of a study to reduce field emission in Superconducting radio frequency cavities, an investigation into the effectiveness of the Jefferson Lab's High Pressure Rinse (HPR) system is underway. This paper describes discoveries from this investigation, the procedural changes made during this investigation, current vertical test results and further plans for improvements and monitoring.

  2. Method of producing a high pressure gas

    DOEpatents

    Bingham, Dennis N.; Klingler, Kerry M.; Zollinger, William T.

    2006-07-18

    A method of producing a high pressure gas is disclosed and which includes providing a container; supplying the container with a liquid such as water; increasing the pressure of the liquid within the container; supplying a reactant composition such as a chemical hydride to the liquid under pressure in the container and which chemically reacts with the liquid to produce a resulting high pressure gas such as hydrogen at a pressure of greater than about 100 pounds per square inch of pressure; and drawing the resulting high pressure gas from the container.

  3. Design of high pressure waterjet nozzles

    NASA Technical Reports Server (NTRS)

    Mazzoleni, Andre P.

    1994-01-01

    The Hydroblast Research Cell at Marshall Space Flight Center is used to investigate the use of high pressure waterjets to strip paint, grease, adhesive and thermal spray coatings from various substrates. Current methods of cleaning often use ozone depleting chemicals (ODC) such as chlorinated solvents. High pressure waterjet cleaning has proven to be a viable alternative to the use of solvents. A popular method of waterjet cleaning involves 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 and damage to the substrate from the waterjet have been observed. This report summarizes research consisting of identifying and investigating the basic properties of rotating, multijet, high pressure water nozzles, and how particular designs and modes of operation affect such things as stripping rate, standoff distance and completeness of coverage. The study involved computer simulations, an extensive literature review, and experimental studies of different nozzle designs.

  4. Multicomponent fuel vaporization at high pressures.

    SciTech Connect

    Torres, D. J.; O'Rourke, P. J.

    2002-01-01

    We extend our multicomponent fuel model to high pressures using a Peng-Robinson equation of state, and implement the model into KIVA-3V. Phase equilibrium is achieved by equating liquid and vapor fugacities. The latent heat of vaporization and fuel enthalpies are also corrected for at high pressures. Numerical simulations of multicomponent evaporation are performed for single droplets for a diesel fuel surrogate at different pressures.

  5. Manufacturing Diamond Under Very High Pressure

    NASA Technical Reports Server (NTRS)

    Voronov, Oleg

    2007-01-01

    A process for manufacturing bulk diamond has been made practical by the invention of the High Pressure and Temperature Apparatus capable of applying the combination of very high temperature and high pressure needed to melt carbon in a sufficiently large volume. The apparatus includes a reaction cell wherein a controlled static pressure as high as 20 GPa and a controlled temperature as high as 5,000 C can be maintained.

  6. Hydrogen sulfide at high pressure: change in stoichiometry

    NASA Astrophysics Data System (ADS)

    Goncharov, Alexander; Lobanov, Sergey; Kruglov, Ivan; Zhao, Xiao-Miao; Chen, Xiao-Jia; Oganov, Artem; Konopkova, Zuzana; Prakapenka, Vitali

    Hydrogen sulfide (H2S) was studied by x-ray synchrotron diffraction (XRD) and Raman spectroscopy up to 144 GPa at 180-295 K. We find that H2S compound become unstable with respect to formation of new compounds with different composition including pure S, H3S and HS2 depending on the thermodynamic P-T path. These results are supported by our quantum-mechanical variable-composition evolutionary simulations that show the stability of the above mentioned compounds at elevated pressures. The stability of H3S at high pressures, which we find a strong experimental and theoretical confirmation here, suggests that it is this material which is responsible for high-temperature superconducting properties reported previously. We thank DARPA, NSF, ISSP (Hefei, China), Government of Russian Federation, and Foreign Talents Introduction and Academic Exchange Program. Use of the Advanced Photon Source was supported by the U. S. Department of Energy Office of Science.

  7. In situ crystallization of ionic liquid [Emim][PF6] from methanol solution under high pressure.

    PubMed

    Li, Haining; Su, Lei; Zhu, Xiang; Cheng, Xuerui; Yang, Kun; Yang, Guoqiang

    2014-07-24

    The solubility of 1-ethyl-3-methylimidazolium hexafluorophosphate ([Emim][PF6]) in methanol under high pressure is newly measured quantitatively according to the correlation between the ratios of Raman intensity and the concentrations. In situ crystallization and cation conformation of [Emim][PF6] from methanol solution under high pressure have been investigated by using Raman spectroscopy in detail. Remarkably, crystal polymorphism was observed and two crystalline phases (phases I and II) coexisted under high pressure up to ∼ 1.4 GPa. However, only phase II was obtained by recrystallization at ∼ 2 GPa. Our findings may facilitate the development of an effective way for crystallization and purification of ionic liquids under high pressure. PMID:24968114

  8. High-pressure studies on Tc and crystal structure of iron chalcogenide superconductors

    NASA Astrophysics Data System (ADS)

    Takahashi, Hiroki; Tomita, Takahiro; Takahashi, Hiroyuki; Mizuguchi, Yoshikazu; Takano, Yoshihiko; Nakano, Satoshi; Matsubayashi, Kazuyuki; Uwatoko, Yoshiya

    2012-10-01

    The superconducting transition temperature, Tc, in iron-based solids can be enhanced by applied pressure: Tc increases from 8 to 37 K for the 11-type FeSe when the pressure is raised from 0 to 4 GPa. High-pressure studies can elucidate the mechanism of superconductivity in such novel materials. In this paper, we present a high-pressure study of Fe(Se1-xTex) and Fe(Se1-xSx). In the case of Fe(Se1-xTex), the maximum Tc under high pressure did not exceed the Tc of FeSe, which can be attributed to the structural transition to the monoclinic phase. For Fe(Se1-xSx) (0 < x < 0.3), Tc exhibited a significant increase with pressure; however, the maximum Tc under high pressure did not exceed the Tc of FeSe. This may be due to the disorder induced by substituting S for Se, which is similar to the pressure effect on Tc for the 1111-type superconductor Ca(Fe1-xCox)AsF. The Tc of Fe(Se1-xSx) showed a complex behavior below 1 GPa, first decreasing and then increasing with increasing pressure. From high-pressure x-ray diffraction measurements, the Tc (P) curve was correlated with the local structural parameter.

  9. Fuel droplet burning rates at high pressures.

    NASA Technical Reports Server (NTRS)

    Canada, G. S.; Faeth, G. M.

    1973-01-01

    Combustion of methanol, ethanol, propanol-1, n-pentane, n-heptane, and n-decane was observed in air under natural convection conditions, at pressures up to 100 atm. The droplets were simulated by porous spheres, with diameters in the range from 0.63 to 1.90 cm. The pressure levels of the tests were high enough so that near-critical combustion was observed for methanol and ethanol. Due to the high pressures, the phase-equilibrium models of the analysis included both the conventional low-pressure approach as well as high-pressure versions, allowing for real gas effects and the solubility of combustion-product gases in the liquid phase. The burning-rate predictions of the various theories were similar, and in fair agreement with the data. The high-pressure theory gave the best prediction for the liquid-surface temperatures of ethanol and propanol-1 at high pressure. The experiments indicated the approach of critical burning conditions for methanol and ethanol at pressures on the order of 80 to 100 atm, which was in good agreement with the predictions of both the low- and high-pressure analysis.

  10. High-pressure layered structure of carbon disulfide

    NASA Astrophysics Data System (ADS)

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

    2015-06-01

    Solid CS2 is superficially similar to CO2, with the same C m c a 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 CS2 for increasing pressure up to 200 GPa. Surprisingly, the molecular C m c a phase does not evolve into β -cristobalite as in CO2 but transforms instead into phases HP2 and HP1, both recently described in high-pressure SiS2. HP1 in particular, with a wide stability range, is a layered P 21/c structure characterized by pairs of edge-sharing tetrahedra and is theoretically more robust than all other CS2 phases discussed so far. Its predicted Raman spectrum and pair correlation function agree with experiment better than those of β -cristobalite, and further differences are predicted between their respective IR spectra. The band gap of HP1-CS2 is calculated to close under pressure, yielding an insulator-metal transition near 50 GPa, in agreement with experimental observations. However, the metallic density of states remains modest above this pressure, suggesting a different origin for the reported superconductivity.

  11. Hypervalent Iodine with Linear Chain at High Pressure

    PubMed Central

    Wei, Shubo; Wang, Jianyun; Deng, Shiyu; Zhang, Shoutao; Li, Quan

    2015-01-01

    Iodine is an element of fascinating chemical complexity, and numerous hypervalent iodine compounds reveal vital value of applications in organic synthesis. Investigation of the synthesis and application of new type of hypervalent iodine compound has extremely significant meaning. Here, the formation of CsIn (n > 1) compounds is predicted up to 200 GPa using an effective algorithm. The current results show that CsI3 with space group of Pm-3n is thermodynamically stable under high pressure. Hypervalence phenomenon of iodine atoms in Pm-3n CsI3 with endless linear chain type structure appears under high pressure, which is in sharp contrast to the conventional understanding. Our study further reveals that Pm-3n CsI3 is a metallic phase with several energy bands crossing Fermi-surface, and the pressure creates a peculiar reverse electron donation from iodine to cesium. The electron-phonon coupling calculations have proposed superconductive potential of the metallic Pm-3n CsI3 at 10 GPa which is much lower than that of CsI (180 GPa). Our findings represent a significant step toward the understanding of the behavior of iodine compounds at extreme conditions. PMID:26399899

  12. Hypervalent Iodine with Linear Chain at High Pressure.

    PubMed

    Wei, Shubo; Wang, Jianyun; Deng, Shiyu; Zhang, Shoutao; Li, Quan

    2015-01-01

    Iodine is an element of fascinating chemical complexity, and numerous hypervalent iodine compounds reveal vital value of applications in organic synthesis. Investigation of the synthesis and application of new type of hypervalent iodine compound has extremely significant meaning. Here, the formation of CsIn (n > 1) compounds is predicted up to 200 GPa using an effective algorithm. The current results show that CsI3 with space group of Pm-3n is thermodynamically stable under high pressure. Hypervalence phenomenon of iodine atoms in Pm-3n CsI3 with endless linear chain type structure appears under high pressure, which is in sharp contrast to the conventional understanding. Our study further reveals that Pm-3n CsI3 is a metallic phase with several energy bands crossing Fermi-surface, and the pressure creates a peculiar reverse electron donation from iodine to cesium. The electron-phonon coupling calculations have proposed superconductive potential of the metallic Pm-3n CsI3 at 10 GPa which is much lower than that of CsI (180 GPa). Our findings represent a significant step toward the understanding of the behavior of iodine compounds at extreme conditions. PMID:26399899

  13. Carbon in iron phases under high pressure

    NASA Astrophysics Data System (ADS)

    Huang, L.; Skorodumova, N. V.; Belonoshko, A. B.; Johansson, B.; Ahuja, R.

    2005-11-01

    The influence of carbon impurities on the properties of iron phases (bcc, hcp, dhcp, fcc) has been studied using the first-principles projector augmented-wave (PAW) method for a wide pressure range. It is shown that the presence of ~6 at. % of interstitial carbon has a little effect on the calculated structural sequence of the iron phases under high pressure. The bcc -> hcp transition both for pure iron and iron containing carbon takes place around 9 GPa. According to the enthalpies comparison, the solubility of carbon into the iron solid is decreased by high pressure. The coexistence of iron carbide (Fe3C) + pure hcp Fe is most stable phase at high pressure compared with other phases. Based on the analysis of the pressure-density dependences for Fe3C and hcp Fe, we suggest that there might be some fraction of iron carbide present in the core.

  14. High pressure electrical insulated feed thru connector

    DOEpatents

    Oeschger, Joseph E.; Berkeland, James E.

    1979-11-13

    A feed-thru type hermetic electrical connector including at least one connector pin feeding through an insulator block within the metallic body of the connector shell. A compression stop arrangement coaxially disposed about the insulator body is brazed to the shell, and the shoulder on the insulator block bears against this top in a compression mode, the high pressure or internal connector being at the opposite end of the shell. Seals between the pin and an internal bore at the high pressure end of the insulator block and between the insulator block and the metallic shell at the high pressure end are hermetically brazed in place, the first of these also functioning to transfer the axial compressive load without permitting appreciable shear action between the pin and insulator block.

  15. Laser techniques in high-pressure geophysics

    NASA Technical Reports Server (NTRS)

    Hemley, R. J.; Bell, P. M.; Mao, H. K.

    1987-01-01

    Laser techniques in conjunction with the diamond-anvil cell can be used to study high-pressure properties of materials important to a wide range of problems in earth and planetary science. Spontaneous Raman scattering of crystalline and amorphous solids at high pressure demonstrates that dramatic changes in structure and bonding occur on compression. High-pressure Brillouin scattering is sensitive to the pressure variations of single-crystal elastic moduli and acoustic velocities. Laser heating techniques with the diamond-anvil cell can be used to study phase transitions, including melting, under deep-earth conditions. Finally, laser-induced ruby fluorescence has been essential for the development of techniques for generating the maximum pressures now possible with the diamond-anvil cell, and currently provides a calibrated in situ measure of pressure well above 100 gigapascals.

  16. High pressure water jet cutting and stripping

    NASA Technical Reports Server (NTRS)

    Hoppe, David T.; Babai, Majid K.

    1991-01-01

    High pressure water cutting techniques have a wide range of applications to the American space effort. Hydroblasting techniques are commonly used during the refurbishment of the reusable solid rocket motors. The process can be controlled to strip a thermal protective ablator without incurring any damage to the painted surface underneath by using a variation of possible parameters. Hydroblasting is a technique which is easily automated. Automation removes personnel from the hostile environment of the high pressure water. Computer controlled robots can perform the same task in a fraction of the time that would be required by manual operation.

  17. Photoexcitations in polythiophene at high pressure

    NASA Astrophysics Data System (ADS)

    Hess, B. C.; Kanner, G. S.; Vardeny, Z.

    1993-01-01

    We report optical-absorption, photoluminescence (PL), and picosecond photoinduced absorption (PA) decay in films of poly-3-hexyl-thiophene at pressures up to 80 kbar. The spectral bands redshift nonlinearly with pressure and the PL intensity decreases markedly. Thermochromic transitions are completely inhibited at pressures as low as 14 kbar. The picosecond recovery of the PA decay at high pressure is similar to that of unpressed polythiophene, but has a power-law exponent consistent with more ordered chains at high pressure. These effects suggest changes with pressure in the chain conformation and in the electronic polarizability; no changes in the interchain transfer integral are observed.

  18. Superelastic carbon spheres under high pressure

    NASA Astrophysics Data System (ADS)

    Li, Meifen; Guo, Junjie; Xu, Bingshe

    2013-03-01

    We report a superelastic deformation behavior of carbon spheres by the in situ Raman spectroscopy in a high-pressure diamond anvil cell. The carbon spheres produced by arc discharging in toluene have a mean diameter of 200 nm and an onion-like multilayer graphitic structure. We find that the elastic coefficients, during both the compression and decompression processes, remain a constant up to 10 GPa, indicating a superior high-pressure structural stability. Such superelastic behavior is related to the isotropic and concentric configuration of carbon spheres and provides additional insight into improving the microscopic mechanical properties of small-scale particles.

  19. High pressure water jet mining machine

    DOEpatents

    Barker, Clark R.

    1981-05-05

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

  20. Structure of high-pressure KNO/sub 3/-IV

    SciTech Connect

    Worlton, T.G.; Decker, D.L.; Jorgensen, J.D.; Kleb, R.

    1985-07-01

    Potassium nitrate has seven polymorphs in the pressure range to 40 kbar. The structures of the three phases obtainable at atmospheric pressure are known. Attempts to solve the structure of high pressure KNO/sub 3/ phase IV by x-ray diffraction have been unsuccessful. We have now solved this structure using time-of-flight neutron powder diffraction data taken at room temperature and 3.6 kbar on the SEPD at IPNS. High pressure KNO/sub 3/-IV has the same space group and point group symmetry as the low pressure KNO/sub 3/-II, but with different values for lattice parameters and atomic positions. The structure of KNO/sub 3/-IV is orthorhombic Pnma with a = 7.4867(2), b = 5.5648(2), and c = 6.7629(2) with four formula units per unit cell. The K, N, and one O atom are in special positions (4c) and the other O atoms are in the general position (8d) just as in the atmospheric pressure phase. The O-N-O bond angles are 120.4(1)/sup 0/, and 119.3(2)/sup 0/. The N-O bond lengths are 1.228(3)A and 1.246(2)A.

  1. High-pressure differential scanning microcalorimeter

    NASA Astrophysics Data System (ADS)

    Senin, A. A.; Dzhavadov, L. N.; Potekhin, S. A.

    2016-03-01

    A differential scanning microcalorimeter for studying thermotropic conformational transitions of biopolymers at high pressure has been designed. The calorimeter allows taking measurements of partial heat capacity of biopolymer solutions vs. temperature at pressures up to 3000 atm. The principles of operation of the device, methods of its calibration, as well as possible applications are discussed.

  2. High-pressure differential scanning microcalorimeter.

    PubMed

    Senin, A A; Dzhavadov, L N; Potekhin, S A

    2016-03-01

    A differential scanning microcalorimeter for studying thermotropic conformational transitions of biopolymers at high pressure has been designed. The calorimeter allows taking measurements of partial heat capacity of biopolymer solutions vs. temperature at pressures up to 3000 atm. The principles of operation of the device, methods of its calibration, as well as possible applications are discussed. PMID:27036806

  3. Small, high-pressure liquid hydrogen turbopump

    NASA Technical Reports Server (NTRS)

    Csomor, A.; Sutton, R.

    1977-01-01

    A high pressure, liquid hydrogen turbopump was designed, fabricated, and tested to a maximum speed of 9739 rad/s and a maximum pump discharge pressure of 2861 N/sq. cm. The approaches used in the analysis and design of the turbopump are described, and fabrication methods are discussed. Data obtained from gas generator tests, turbine performance calibration, and turbopump testing are presented.

  4. High Pressure Inactivation of HAV within Mussels

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The potential of hepatitis A virus (HAV) to be inactivated within Mediterranean mussels (Mytilus galloprovincialis) and blue mussels (Mytilus edulis) by high pressure processing was evaluated. HAV was bioaccumulated within mussels to approximately 6-log10 PFU by exposure of mussels to HAV-contamina...

  5. Advanced Diagnostics for High Pressure Spray Combustion.

    SciTech Connect

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

    2014-06-01

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

  6. High-Pressure Induced New Phases and Properties in Typical Molecular Systems

    NASA Astrophysics Data System (ADS)

    Cui, Tian

    2013-06-01

    High pressure introduces new phases by the rearrangement of atoms and reconfigurations of electronic states in materials, often with new physical and chemical phenomena. Study of the new phases in typical molecular systems under high pressure is an interesting subject, such as energy storage materials of solid hydrogen and polymeric nitrogen, hydrogen-rich compound with high-Tc superconductivity under high pressure, high pressure induced metallization of hydrogen, etc. High-pressure structures and pressure-induced phase transitions in the typical molecular solids, such as solid iodine, CHBr3, N2/CN, HBr/HCl, hydrogen-rich compounds (H2S, ZrH2, AsH3, BaReH9, etc.), and group IVA hydrides (Si2H6, Ge2H6, Sn2H6, etc.) are investigated extensively by means of first-principles density functional theory and extensive prediction strategies (molecular dynamics simulation, simulated annealing, soft mode phase transition, random structure-searching method and evolutionary methodology etc.). The new structures and new properties derived from pressure-induced phase transitions in these typical molecular systems have been observed. It is showed that high pressure provides a path for producing new materials with new properties.

  7. The effect of high-pressure processing on unsealed Bi-2223/Ag tape

    NASA Astrophysics Data System (ADS)

    Wang, X. C.; Qu, T.-M.; Zhao, L.; Li, P.; Han, Z.

    2007-10-01

    High-pressure (HP) processing of Ag-sheathed Bi2Si2Ca2Cu3Ox (Bi-2223) tape was investigated. In Bi-2223/Ag tapes, the outer Ag sheath might act as a sealing barrier against the penetration of the high-pressure atmosphere. In this work, short tapes after final heat treatment (FHT) were not sealed hermetically with Ag foil when HP processing was applied. The results show that the average thickness of tapes after HP processing is 2.5% lower than that of FHT tapes. However, the critical current Ic for tapes is not improved by HP processing. There are still many cracks and porosity in the superconducting core and coarse superconducting filaments are sometimes observed in transverse cross section of HP processed tapes.

  8. Nuclear resonant inelastic X-ray scattering at high pressure and low temperature

    PubMed Central

    Bi, Wenli; Zhao, Jiyong; Lin, Jung-Fu; Jia, Quanjie; Hu, Michael Y.; Jin, Changqing; Ferry, Richard; Yang, Wenge; Struzhkin, Viktor; Alp, E. Ercan

    2015-01-01

    A new synchrotron radiation experimental capability of coupling nuclear resonant inelastic X-ray scattering with the cryogenically cooled high-pressure diamond anvil cell technique is presented. The new technique permits measurements of phonon density of states at low temperature and high pressure simultaneously, and can be applied to studies of phonon contribution to pressure- and temperature-induced magnetic, superconducting and metal–insulator transitions in resonant isotope-bearing materials. In this report, a pnictide sample, EuFe2As2, is used as an example to demonstrate this new capability at beamline 3-ID of the Advanced Photon Source, Argonne National Laboratory. A detailed description of the technical development is given. The Fe-specific phonon density of states and magnetism from the Fe sublattice in Eu57Fe2As2 at high pressure and low temperature were derived by using this new capability. PMID:25931094

  9. Nuclear resonant inelastic X-ray scattering at high pressure and low temperature

    DOE PAGESBeta

    Bi, Wenli; Zhao, Jiyong; Lin, Jung -Fu; Jia, Quanjie; Hu, Michael Y.; Jin, Changqing; Ferry, Richard; Yang, Wenge; Struzhkin, Viktor; Alp, E. Ercan

    2015-01-01

    In this study, a new synchrotron radiation experimental capability of coupling nuclear resonant inelastic X-ray scattering with the cryogenically cooled high-pressure diamond anvil cell technique is presented. The new technique permits measurements of phonon density of states at low temperature and high pressure simultaneously, and can be applied to studies of phonon contribution to pressure- and temperature-induced magnetic, superconducting and metal–insulator transitions in resonant isotope-bearing materials. In this report, a pnictide sample, EuFe2As2, is used as an example to demonstrate this new capability at beamline 3-ID of the Advanced Photon Source, Argonne National Laboratory. A detailed description of the technicalmore » development is given. The Fe-specific phonon density of states and magnetism from the Fe sublattice in Eu57Fe2As2 at high pressure and low temperature were derived by using this new capability.« less

  10. Distortions and Stabilization of Simple Cubic Calcium at High Pressure and Low Temperature

    SciTech Connect

    Veith, Alison A.

    2012-04-18

    Ca-III, the first superconducting calcium phase under pressure, was identified as simple-cubic (sc) by previous X-ray diffraction (XRD) experiments. In contrast, all previous theoretical calculations showed that sc had a higher enthalpy than many proposed structures and had an imaginary (unstable) phonon branch. By using our newly developed submicrometer high-pressure single-crystal XRD, cryogenic high-pressure XRD, and theoretical calculations, we demonstrate that Ca-III is neither exactly sc nor any of the lower-enthalpy phases, but sustains the sc-like, primitive unit by a rhombohedral distortion at 300 K and a monoclinic distortion below 30 K. This surprising discovery reveals a scenario that the high-pressure structure of calcium does not go to the zero-temperature global enthalpy minimum but is dictated by high-temperature anharmonicity and low-temperature metastability fine-tuned with phonon stability at the local minimum.

  11. Understanding the high pressure properties of molecular solids and molecular surfaces deposited on hetrogeneous substrates

    NASA Technical Reports Server (NTRS)

    Etters, R. D.

    1985-01-01

    Work directed toward understanding the high pressure properties of molecular solids and molecular surfaces deposited on hetrogeneous substrates is reported. The motivation, apart from expanding our basic knowledge about these systems, was to understand and predict the properties of new materials synthesized at high pressure, including pressure induced metallic and superconducting states. As a consequence, information about the states of matter of the Jovian planets and their satellites, which are natural high pressure laboratories was also provided. The work on molecular surfaces and finite two and three dimensional clusters of atoms and molecules was connected with the composition and behavior of planetary atmospheres and on the processes involved in forming surface layers, which is vital to the development of composite materials and microcircuitry.

  12. Distortions and stabilization of simple-cubic calcium at high pressure and low temperature

    SciTech Connect

    Mao, Wendy L.; Wang, Lin; Ding, Yang; Yang, Wenge; Liu, Wenjun; Kim, Duck Young; Luo, Wei; Ahuja, R.; Meng, Yue; Sinogeikin, Stanislav V.; Shu, Jinfu; Mao, Ho-kwang

    2010-06-01

    Ca-III, the first superconducting calcium phase under pressure, was identified as simple-cubic (sc) by previous X-ray diffraction (XRD) experiments. In contrast, all previous theoretical calculations showed that sc had a higher enthalpy than many proposed structures and had an imaginary (unstable) phonon branch. By using our newly developed submicrometer high-pressure single-crystal XRD, cryogenic high-pressure XRD, and theoretical calculations, we demonstrate that Ca-III is neither exactly sc nor any of the lower-enthalpy phases, but sustains the sc-like, primitive unit by a rhombohedral distortion at 300 K and a monoclinic distortion below 30 K. This surprising discovery reveals a scenario that the high-pressure structure of calcium does not go to the zero-temperature global enthalpy minimum but is dictated by high-temperature anharmonicity and low-temperature metastability fine-tuned with phonon stability at the local minimum.

  13. Metallicity of boron carbides at high pressure

    NASA Astrophysics Data System (ADS)

    Dekura, Haruhiko; Shirai, Koun; Yanase, Akira

    2010-03-01

    Electronic structure of semiconducting boron carbide at high pressure has been theoretically investigated, because of interests in the positive pressure dependence of resistivity, in the gap closure, and in the phase transition. The most simplest form B12(CCC) is assumed. Under assumptions of hydrostatic pressure and neglecting finite-temperature effects, boron carbide is quite stable at high pressure. The crystal of boron carbide is stable at least until a pressure higher than previous experiments showed. The gap closure occurs only after p=600 GPa on the assumption of the original crystal symmetry. In the low pressure regime, the pressure dependence of the energy gap almost diminishes, which is an exceptional case for semiconductors, which could be one of reasons for the positive pressure dependence of resistivity. A monotonous increase in the apex angle of rhombohedron suggests that the covalent bond continues to increase. The C chain inserted in the main diagonal of rhombohedral structure is the chief reason of this stability.

  14. High pressure studies of potassium perchlorate

    NASA Astrophysics Data System (ADS)

    Pravica, Michael; Wang, Yonggang; Sneed, Daniel; Reiser, Sharissa; White, Melanie

    2016-09-01

    Two experiments are reported on KClO4 at extreme conditions. A static high pressure Raman study was first conducted to 18.9 GPa. Evidence for at least two new phases was observed: one between 2.4 and 7.7 GPa (possibly sluggish), and the second near 11.7 GPa. Then, the X-ray induced decomposition rate of potassium perchlorate (KClO4 → hν KCl + 2O2) was studied up to 15.2 GPa. The time-dependent growth of KCl and O2 was monitored. The decomposition rate slowed at higher pressures. We present the first direct evidence for O2 crystallization at higher pressures, demonstrating that O2 molecules aggregate at high pressure.

  15. Design guide for high pressure oxygen systems

    NASA Technical Reports Server (NTRS)

    Bond, A. C.; Pohl, H. O.; Chaffee, N. H.; Guy, W. W.; Allton, C. S.; Johnston, R. L.; Castner, W. L.; Stradling, J. S.

    1983-01-01

    A repository for critical and important detailed design data and information, hitherto unpublished, along with significant data on oxygen reactivity phenomena with metallic and nonmetallic materials in moderate to very high pressure environments is documented. This data and information provide a ready and easy to use reference for the guidance of designers of propulsion, power, and life support systems for use in space flight. The document is also applicable to designs for industrial and civilian uses of high pressure oxygen systems. The information presented herein are derived from data and design practices involving oxygen usage at pressures ranging from about 20 psia to 8000 psia equal with thermal conditions ranging from room temperatures up to 500 F.

  16. Sample injector for high pressure liquid chromatography

    DOEpatents

    Paul, Phillip H.; Arnold, Don W.; Neyer, David W.

    2001-01-01

    Apparatus and method for driving a sample, having a well-defined volume, under pressure into a chromatography column. A conventional high pressure sampling valve is replaced by a sample injector composed of a pair of injector components connected in series to a common junction. The injector components are containers of porous dielectric material constructed so as to provide for electroosmotic flow of a sample into the junction. At an appropriate time, a pressure pulse from a high pressure source, that can be an electrokinetic pump, connected to the common junction, drives a portion of the sample, whose size is determined by the dead volume of the common junction, into the chromatographic column for subsequent separation and analysis. The apparatus can be fabricated on a substrate for microanalytical applications.

  17. Combustion of liquid sprays at high pressures

    NASA Technical Reports Server (NTRS)

    Shearer, A. J.; Faeth, G. M.

    1977-01-01

    The combustion of pressure atomized fuel sprays in high pressure stagnant air was studied. Measurements were made of flame and spray boundaries at pressures in the range 0.1-9 MPa for methanol and n-pentane. At the higher test pressure levels, critical phenomena are important. The experiments are compared with theoretical predictions based on a locally homogeneous two-phase flow model. The theory correctly predicted the trends of the data, but underestimates flame and spray boundaries by 30-50 percent, indicating that slip is still important for the present experiments (Sauter mean diameters of 30 microns at atmospheric pressure under cold flow conditions). Since the sprays are shorter at high pressures, slip effects are still important even though the density ratio of the phases approach one another as the droplets heat up. The model indicates the presence of a region where condensed water is present within the spray and provides a convenient means of treating supercritical phenomena.

  18. Efficient High-Pressure State Equations

    NASA Technical Reports Server (NTRS)

    Harstad, Kenneth G.; Miller, Richard S.; Bellan, Josette

    1997-01-01

    A method is presented for a relatively accurate, noniterative, computationally efficient calculation of high-pressure fluid-mixture equations of state, especially targeted to gas turbines and rocket engines. Pressures above I bar and temperatures above 100 K are addressed The method is based on curve fitting an effective reference state relative to departure functions formed using the Peng-Robinson cubic state equation Fit parameters for H2, O2, N2, propane, methane, n-heptane, and methanol are given.

  19. High pressure hydrogen time projection chamber

    SciTech Connect

    Goulianos, K.

    1983-01-01

    We describe a high pressure hydrogen gas time projection chamber which consists of two cylindrical drift regions each 45 cm in diameter and 75 cm long. Typically, at 15 atm of H/sub 2/ with 2 kV/cm drift field and 7 kV on the 35..mu.. sense wires, the drift velocity is about 0.5 cm/..mu..sec and the spatial resolution +-200..mu...

  20. Small, high pressure liquid hydrogen turbopump

    NASA Technical Reports Server (NTRS)

    Csomor, A.; Warren, D. J.

    1980-01-01

    A high pressure, low capacity, liquid hydrogen turbopump was designed, fabricated, and tested. The design configuration of the turbopump is summarized and the results of the analytical and test efforts are presented. Approaches used to pin point the cause of poor suction performance with the original design are described and performance data are included with an axial inlet design which results in excellent suction capability.

  1. High-pressure mechanical instability in rocks

    USGS Publications Warehouse

    Byerlee, J.D.; Brace, W.F.

    1969-01-01

    At a confining pressure of a few kilobars, deformation of many sedimentary rocks, altered mafic rocks, porous volcanic rocks, and sand is ductile, in that instabilities leading to audible elastic shocks are absent. At pressures of 7 to 10 kilobars, however, unstable faulting and stick-slip in certain of these rocks was observed. This high pressure-low temperature instability might be responsible for earthquakes in deeply buried sedimentary or volcanic sequences.

  2. (High-pressure structural studies of promethium)

    SciTech Connect

    Haire, R.G.

    1988-11-15

    The primary object of the foreign travel was to carry out collaborative high-pressure structural studies at the European Institute for Transuranium Elements (EITU), Karlsruhe, Federal Republic of Germany. These studies reestablished previous collaborative investigations by ORNL and EITU that have been very productive scientifically during the past few years. The study during the present travel period was limited to a structural study of promethium metal under pressure.

  3. Raman study of opal at high pressure

    NASA Astrophysics Data System (ADS)

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

    2011-12-01

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

  4. Introduction to High-Pressure Science

    NASA Astrophysics Data System (ADS)

    Dera, Przemyslaw

    To a common person pressure is just one of the parameters that describe a thermodynamic state. We all hear about it in everyday weather forecasts, and most of us do not associate it with anything particularly unique. Probably the most intuitive idea of the effect of high-pressure comes from movies, where submarine sinking to the bottom of the ocean is gradually crushed by the surrounding water, until its hull implodes. Why, then hundreds of scientists throughout the world spent their lifelong careers studying high-pressure phenomena? Despite all the developments in experimental technologies and instrumentation, modern scientist has very few tools that allow him or her to "grab" two atoms and bring them, in a very controllable way, closer together. Being able to achieve this task means the ability to directly probe interatomic interaction potentials and can cause transformations as dramatic as turning of a common gas into solid metal. Before the reader delves into more advanced topics described later in this book, this introductory chapter aims to explain several elementary, but extremely important concepts in high-pressure science. We will start with a brief discussion of laboratory devices used to produce pressure, address the issue of hydrostaticity, elastic and plastic compression, and will conclude with a short discussion of unique effects of anisotropic stress.

  5. Single Molecule Raman Spectroscopy Under High Pressure

    NASA Astrophysics Data System (ADS)

    Fu, Yuanxi; Dlott, Dana

    2014-06-01

    Pressure effects on surface-enhanced Raman scattering spectra of Rhdoamine 6G adsorbed on silver nanoparticle surfaces was studied using a confocal Raman microscope. Colloidal silver nanoparticles were treated with Rhodamine 6G (R6G) and its isotopically substituted partner, R6G-d4. Mixed isotopomers let us identify single-molecule spectra, since multiple-molecule spectra would show vibrational transitions from both species. The nanoparticles were embedded into a poly vinyl alcohol film, and loaded into a diamond anvil cell for the high-pressure Raman scattering measurement. Argon was the pressure medium. Ambient pressure Raman scattering spectra showed few single-molecule spectra. At moderately high pressure ( 1GPa), a surprising effect was observed. The number of sites with observable spectra decreased dramatically, and most of the spectra that could be observed were due to single molecules. The effects of high pressure suppressed the multiple-molecule Raman sites, leaving only the single-molecule sites to be observed.

  6. Apparatus for testing high pressure injector elements

    NASA Technical Reports Server (NTRS)

    Myers, William Neill (Inventor); Scott, Ewell M. (Inventor); Forbes, John C. (Inventor); Shadoan, Michael D. (Inventor)

    1995-01-01

    An apparatus for testing and evaluating the spray pattern of high pressure fuel injector elements for use in supplying fuel to combustion engines is presented. Prior art fuel injector elements were normally tested by use of low pressure apparatuses which did not provide a purge to prevent mist from obscuring the injector element or to prevent frosting of the view windows; could utilize only one fluid during each test; and had their viewing ports positioned one hundred eighty (180 deg) apart, thus preventing optimum use of laser diagnostics. The high pressure fluid injector test apparatus includes an upper hub, an upper weldment or housing, a first clamp and stud/nut assembly for securing the upper hub to the upper weldment, a standoff assembly within the upper weldment, a pair of window housings having view glasses within the upper weldment, an injector block assembly and purge plate within the upper weldment for holding an injector element to be tested and evaluated, a lower weldment or housing, a second clamp and stud/nut assembly for securing the lower weldment to the upper hub, a third clamp and stud/nut assembly for securing the lower hub to the lower weldment, mechanisms for introducing fluid under high pressure for testing an injector element, and mechanisms for purging the apparatus to prevent frosting of view glasses within the window housings and to permit unobstructed viewing of the injector element.

  7. [The high pressure life of piezophiles].

    PubMed

    Oger, Philippe; Cario, Anaïs

    2014-01-01

    The deep biosphere is composed of very different biotopes located in the depth of the oceans, the ocean crust or the lithosphere. Although very different, deep biosphere biotopes share one common feature, high hydrostatic pressure. The deep biosphere is colonized by specific organisms, called piezophiles, that are able to grow under high hydrostatic pressure. Bacterial piezophiles are mainly psychrophiles belonging to five genera of γ-proteobacteria, Photobacterium, Shewanella, Colwellia, Psychromonas and Moritella, while piezophilic Archaea are mostly (hyper)thermophiles from the Thermococcales. None of these genera are specific for the deep biosphere. High pressure deeply impacts the activity of cells and cellular components, and reduces the activity of numerous key processes, eventually leading to cell death of piezosensitive organisms. Biochemical and genomic studies yield a fragmented view on the adaptive mechanisms in piezophiles. It is yet unclear whether piezophilic adaptation requires the modification of a few genes, or metabolic pathways, or a more profound reorganization of the genome, the fine tuning of gene expression to compensate the pressure-induced loss of activity of the proteins most affected by high pressure, or a stress-like physiological cell response. In contrast to what has been seen for thermophily or halophily, the adaptation to high pressure is diffuse in the genome and may concern only a small fraction of the genes. PMID:25474000

  8. Exotic stable cesium polynitrides at high pressure

    DOE PAGESBeta

    Peng, Feng; Han, Yunxia; Liu, Hanyu; Yao, Yansun

    2015-11-19

    New polynitrides containing metastable forms of nitrogen are actively investigated as potential high energy-density materials. Using a structure search method based on the CALYPSO methodology, we investigated the stable stoichiometries and structures of cesium polynitrides at high pressures. Along with the CsN3, we identified five new stoichiometric compounds (Cs3N, Cs2N, CsN, CsN2, and CsN5) with interesting structures that may be experimentally synthesizable at modest pressures (i.e., less than 50 GPa). Nitrogen species in the predicted structures have various structural forms ranging from single atom (N) to highly endothermic molecules (N2, N3 , N4, N5, N6) and chains (N∞). Polymeric chainsmore » of nitrogen were found in the high-pressure C2/c phase of CsN2. This structure contains a substantially high content of single N-N bonds that exceeds the previously known nitrogen chains in pure forms, and also exhibit metastability at ambient conditions. We also identified a very interesting CsN crystal that contains novel N44- anion. In conclusion, to our best knowledge, this is the first time a charged N4 species being reported. Results of the present study suggest that it is possible to obtain energetic polynitrogens in main-group nitrides under high pressure.« less

  9. Apparatus for testing high pressure injector elements

    NASA Astrophysics Data System (ADS)

    Myers, William Neill; Scott, Ewell M.; Forbes, John C.; Shadoan, Michael D.

    1993-09-01

    An apparatus for testing and evaluating the spray pattern of high pressure fuel injector elements for use in supplying fuel to combustion engines is presented. Prior art fuel injector elements were normally tested by use of low pressure apparatuses which did not provide a purge to prevent mist from obscuring the injector element or to prevent frosting of the view windows; could utilize only one fluid during each test; and had their viewing ports positioned one hundred eighty (180 deg) apart, thus preventing optimum use of laser diagnostics. The high pressure fluid injector test apparatus includes an upper hub, an upper weldment or housing, a first clamp and stud/nut assembly for securing the upper hub to the upper weldment, a standoff assembly within the upper weldment, a pair of window housings having view glasses within the upper weldment, an injector block assembly and purge plate within the upper weldment for holding an injector element to be tested and evaluated, a lower weldment or housing, a second clamp and stud/nut assembly for securing the lower weldment to the upper weldment, a lower hub, a third clamp and stud/nut assembly for securing the lower hub to the lower weldment, mechanisms for introducing fluid under high pressure for testing an injector element, and mechanisms for purging the apparatus to prevent frosting of view glasses within the window housings and to permit unobstructed viewing of the injector element.

  10. Apparatus for testing high pressure injector elements

    NASA Astrophysics Data System (ADS)

    Myers, William Neill; Scott, Ewell M.; Forbes, John C.; Shadoan, Michael D.

    1995-05-01

    An apparatus for testing and evaluating the spray pattern of high pressure fuel injector elements for use in supplying fuel to combustion engines is presented. Prior art fuel injector elements were normally tested by use of low pressure apparatuses which did not provide a purge to prevent mist from obscuring the injector element or to prevent frosting of the view windows; could utilize only one fluid during each test; and had their viewing ports positioned one hundred eighty (180 deg) apart, thus preventing optimum use of laser diagnostics. The high pressure fluid injector test apparatus includes an upper hub, an upper weldment or housing, a first clamp and stud/nut assembly for securing the upper hub to the upper weldment, a standoff assembly within the upper weldment, a pair of window housings having view glasses within the upper weldment, an injector block assembly and purge plate within the upper weldment for holding an injector element to be tested and evaluated, a lower weldment or housing, a second clamp and stud/nut assembly for securing the lower weldment to the upper hub, a third clamp and stud/nut assembly for securing the lower hub to the lower weldment, mechanisms for introducing fluid under high pressure for testing an injector element, and mechanisms for purging the apparatus to prevent frosting of view glasses within the window housings and to permit unobstructed viewing of the injector element.

  11. Apparatus for testing high pressure injector elements

    NASA Technical Reports Server (NTRS)

    Myers, William Neill (Inventor); Scott, Ewell M. (Inventor); Forbes, John C. (Inventor); Shadoan, Michael D. (Inventor)

    1993-01-01

    An apparatus for testing and evaluating the spray pattern of high pressure fuel injector elements for use in supplying fuel to combustion engines is presented. Prior art fuel injector elements were normally tested by use of low pressure apparatuses which did not provide a purge to prevent mist from obscuring the injector element or to prevent frosting of the view windows; could utilize only one fluid during each test; and had their viewing ports positioned one hundred eighty (180 deg) apart, thus preventing optimum use of laser diagnostics. The high pressure fluid injector test apparatus includes an upper hub, an upper weldment or housing, a first clamp and stud/nut assembly for securing the upper hub to the upper weldment, a standoff assembly within the upper weldment, a pair of window housings having view glasses within the upper weldment, an injector block assembly and purge plate within the upper weldment for holding an injector element to be tested and evaluated, a lower weldment or housing, a second clamp and stud/nut assembly for securing the lower weldment to the upper weldment, a lower hub, a third clamp and stud/nut assembly for securing the lower hub to the lower weldment, mechanisms for introducing fluid under high pressure for testing an injector element, and mechanisms for purging the apparatus to prevent frosting of view glasses within the window housings and to permit unobstructed viewing of the injector element.

  12. Exotic stable cesium polynitrides at high pressure

    PubMed Central

    Peng, Feng; Han, Yunxia; Liu, Hanyu; Yao, Yansun

    2015-01-01

    New polynitrides containing metastable forms of nitrogen are actively investigated as potential high-energy-density materials. Using a structure search method based on the CALYPSO methodology, we investigated the stable stoichiometries and structures of cesium polynitrides at high pressures. Along with the CsN3, we identified five new stoichiometric compounds (Cs3N, Cs2N, CsN, CsN2, and CsN5) with interesting structures that may be experimentally synthesizable at modest pressures (i.e., less than 50 GPa). Nitrogen species in the predicted structures have various structural forms ranging from single atom (N) to highly endothermic molecules (N2, N3, N4, N5, N6) and chains (N∞). Polymeric chains of nitrogen were found in the high-pressure C2/c phase of CsN2. This structure contains a substantially high content of single N-N bonds that exceeds the previously known nitrogen chains in pure forms, and also exhibit metastability at ambient conditions. We also identified a very interesting CsN crystal that contains novel N44− anion. To our best knowledge, this is the first time a charged N4 species being reported. Results of the present study suggest that it is possible to obtain energetic polynitrogens in main-group nitrides under high pressure. PMID:26581175

  13. Water solubility in pyrope at high pressures

    NASA Astrophysics Data System (ADS)

    Mookherjee, M.; Karato, S.-

    2006-12-01

    To address how much water is stored within the Earth's mantle, we need to understand the water solubility in the nominally anhydrous minerals. Much is known about olivine and pyroxene. Garnet is another important component, approaching 40% by volume in the transition zone. Only two studies on water solubility in pyrope at high-pressures exist which contradict each other. Lu and Keppler (1997) observed increase in water solubility in a natural pyrope up to 200 ppm wt of water, till 10 GPa. They concluded that the proton is located in the interstitial site. Withers et al. (1998) on the contrary, observed increasing water content in Mg-rich pyrope till 6 GPa, then sudden decrease of water, beyond detection, at 7 GPa. Based on infrared spectra, Withers et al. (1998), concluded hydrogarnet (Si^{4+} replaced by 4H+ to form O4H4) substitution in synthetic magnesium rich pyrope. They argued that at high pressure owing to larger volume, hydrogarnet substitution is unstable and water is expelled out of garnet. In transition zone conditions, however, majorite garnet seems to contain around 600-700 ppm wt of water (Bolfan-Casanova et al. 2000; Katayama et al. 2003). The cause for such discrepancy is not clear and whether garnet could store a significant amount of water at mantle condition is unconstrained. In order to understand the solubility mechanism of water in pyrope at high-pressure, we have conducted high- pressure experiments on naturally occurring single crystals of pyrope garnet (from Arizona, Aines and Rossman, 1984). To ascertain water-saturated conditions, we use olivine single-crystal as an internal standard. Preliminary results indicate that natural pyrope is capable of dissolving water at high-pressures, however, water preferentially enters olivine than in pyrope. We are undertaking systematic study to estimate the solubility of water in pyrope as a function of pressure. This will enable us to develop solubility models to understand the defect mechanisms

  14. 7 CFR 58.219 - High pressure pumps and lines.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 7 Agriculture 3 2010-01-01 2010-01-01 false High pressure pumps and lines. 58.219 Section 58.219....219 High pressure pumps and lines. High pressure lines may be cleaned-in-place and shall be of such construction that dead ends, valves and the high pressure pumps can be disassembled for hand cleaning. The...

  15. 7 CFR 58.219 - High pressure pumps and lines.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 7 Agriculture 3 2012-01-01 2012-01-01 false High pressure pumps and lines. 58.219 Section 58.219....219 High pressure pumps and lines. High pressure lines may be cleaned-in-place and shall be of such construction that dead ends, valves and the high pressure pumps can be disassembled for hand cleaning. The...

  16. 7 CFR 58.219 - High pressure pumps and lines.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 7 Agriculture 3 2011-01-01 2011-01-01 false High pressure pumps and lines. 58.219 Section 58.219....219 High pressure pumps and lines. High pressure lines may be cleaned-in-place and shall be of such construction that dead ends, valves and the high pressure pumps can be disassembled for hand cleaning. The...

  17. 7 CFR 58.219 - High pressure pumps and lines.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 7 Agriculture 3 2014-01-01 2014-01-01 false High pressure pumps and lines. 58.219 Section 58.219....219 High pressure pumps and lines. High pressure lines may be cleaned-in-place and shall be of such construction that dead ends, valves and the high pressure pumps can be disassembled for hand cleaning. The...

  18. 7 CFR 58.219 - High pressure pumps and lines.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 7 Agriculture 3 2013-01-01 2013-01-01 false High pressure pumps and lines. 58.219 Section 58.219....219 High pressure pumps and lines. High pressure lines may be cleaned-in-place and shall be of such construction that dead ends, valves and the high pressure pumps can be disassembled for hand cleaning. The...

  19. High Pressure Synthesis and properties of (Ca,Pr)Fe2As2

    NASA Astrophysics Data System (ADS)

    Drye, Tyler; Taufour, Valentin; Kaluarachchi, Udhara; Ran, Sheng; Canfield, Paul; Paglione, Johnpierre

    2014-03-01

    Despite impressively high superconducting transition temperatures approaching 50 K, superconductivity in rare earth-doped CaFe2As2 appears to only involve a small volume fraction as determined by shielding fraction. In addition, the amount of Pr that can be doped into the system via ambient pressure flux synthesis is limited to <15%, due to a width of formation limitation. We report a study using high-pressure flux growth to substitute higher levels of Pr approaching 40% concentration. The superconducting properties of the resultant crystals are presented, including chemical composition, resistivity, and magnetization measurements. The final result is a complete phase diagram for the Pr-doped CaFe2As2 system. Work supported by an ICAM Junior Scientist Travel Award and an AFOSR MURI grant.

  20. High-pressure synthesis of new materials via formation of new bonding patterns and unusual stoichiometries

    NASA Astrophysics Data System (ADS)

    Goncharov, Alexander

    2013-06-01

    The search for new materials synthesized under extreme conditions of high pressure and high pressure is currently actively pursued. There are multiple theoretical predictions for superior material properties, such as ultra-hardness, superior transport properties such as electrical and thermal conductivity, high energy-density, high-temperature superconductivity, ability to storage hydrogen, etc. Synthesis of new materials at high pressures is based on changes in the equilibrium chemical bonding. Moreover, materials with ``unusual'' stoichiometries have been predicted to become thermodynamically stable at high pressures. Implications of this novel extreme chemistry for synthesis of new materials for practical applications remain challenging because high-pressure bonding patterns are often thermodynamically unstable at ambient pressure. Search for a recovery mechanisms or attempts of synthesis in nominally metastable conditions require detailed knowledge of the energy landscape; extensive collaborative efforts of experiment and theory are needed for its determination. Here, I emphasize the importance for this task of in situ fast diagnostic methods. I will present new results on synthesis of materials with new bonding patterns and unusual stoichiometries containing hydrogen, nitrogen, carbon, and halogens. This work has been performed in collaboration with M. Somayazulu, V. V. Struzhkin, V. Prakapenka, E. Stavrou, T. Muramatsu,A. Oganov, W. Zhang, Q. Zhu, S. E. Boulfelfel, A. O. Lyakhov, Z. Konopkova, H.-P. Liermann, D.-Y. Kim. I acknowledge the support of NSF, EFRee (DOE), DARPA, Army Research Office, Deep Carbon Observatory.

  1. Exotic stable cesium polynitrides at high pressure

    SciTech Connect

    Peng, Feng; Han, Yunxia; Liu, Hanyu; Yao, Yansun

    2015-11-19

    New polynitrides containing metastable forms of nitrogen are actively investigated as potential high energy-density materials. Using a structure search method based on the CALYPSO methodology, we investigated the stable stoichiometries and structures of cesium polynitrides at high pressures. Along with the CsN3, we identified five new stoichiometric compounds (Cs3N, Cs2N, CsN, CsN2, and CsN5) with interesting structures that may be experimentally synthesizable at modest pressures (i.e., less than 50 GPa). Nitrogen species in the predicted structures have various structural forms ranging from single atom (N) to highly endothermic molecules (N2, N3 , N4, N5, N6) and chains (N). Polymeric chains of nitrogen were found in the high-pressure C2/c phase of CsN2. This structure contains a substantially high content of single N-N bonds that exceeds the previously known nitrogen chains in pure forms, and also exhibit metastability at ambient conditions. We also identified a very interesting CsN crystal that contains novel N44- anion. In conclusion, to our best knowledge, this is the first time a charged N4 species being reported. Results of the present study suggest that it is possible to obtain energetic polynitrogens in main-group nitrides under high pressure.

  2. High-pressure liquid chromatographic gradient mixer

    DOEpatents

    Daughton, C.G.; Sakaji, R.H.

    1982-09-08

    A gradient mixer effects the continuous mixing of any two miscible solvents without excessive decay or dispersion of the resultant isocratic effluent or of a linear or exponential gradient. The two solvents are fed under low or high pressure by means of two high performance liquid chromatographic pumps. The mixer comprises a series of ultra-low dead volume stainless steel tubes and low dead volume chambers. The two solvent streams impinge head-on at high fluxes. This initial nonhomogeneous mixture is then passed through a chamber packed with spirally-wound wires which cause turbulent mixing thereby homogenizing the mixture with minimum band-broadening.

  3. High pressure liquid chromatographic gradient mixer

    DOEpatents

    Daughton, Christian G.; Sakaji, Richard H.

    1985-01-01

    A gradient mixer which effects the continuous mixing of any two miscible solvents without excessive decay or dispersion of the resultant isocratic effluent or of a linear or exponential gradient. The two solvents are fed under low or high pressure by means of two high performance liquid chromatographic pumps. The mixer comprises a series of ultra-low dead volume stainless steel tubes and low dead volume chambers. The two solvent streams impinge head-on at high fluxes. This initial nonhomogeneous mixture is then passed through a chamber packed with spirally-wound wires which cause turbulent mixing thereby homogenizing the mixture with minimum "band-broadening".

  4. HIGH PRESSURE COAL COMBUSTON KINETICS PROJECT

    SciTech Connect

    Stefano Orsino

    2005-03-30

    As part of the U.S. Department of Energy (DoE) initiative to improve the efficiency of coal-fired power plants and reduce the pollution generated by these facilities, DOE has funded the High-Pressure Coal Combustion Kinetics (HPCCK) Projects. A series of laboratory experiments were conducted on selected pulverized coals at elevated pressures with the specific goals to provide new data for pressurized coal combustion that will help extend to high pressure and validate models for burnout, pollutant formation, and generate samples of solid combustion products for analyses to fill crucial gaps in knowledge of char morphology and fly ash formation. Two series of high-pressure coal combustion experiments were performed using SRI's pressurized radiant coal flow reactor. The first series of tests characterized the near burner flame zone (NBFZ). Three coals were tested, two high volatile bituminous (Pittsburgh No.8 and Illinois No.6), and one sub-bituminous (Powder River Basin), at pressures of 1, 2, and 3 MPa (10, 20, and 30 atm). The second series of experiments, which covered high-pressure burnout (HPBO) conditions, utilized a range of substantially longer combustion residence times to produce char burnout levels from 50% to 100%. The same three coals were tested at 1, 2, and 3 MPa, as well as at 0.2 MPa. Tests were also conducted on Pittsburgh No.8 coal in CO2 entrainment gas at 0.2, 1, and 2 MPa to begin establishing a database of experiments relevant to carbon sequestration techniques. The HPBO test series included use of an impactor-type particle sampler to measure the particle size distribution of fly ash produced under complete burnout conditions. The collected data have been interpreted with the help of CFD and detailed kinetics simulation to extend and validate devolatilization, char combustion and pollutant model at elevated pressure. A global NOX production sub-model has been proposed. The submodel reproduces the performance of the detailed chemical reaction

  5. High-Pressure Synthesis of Materials

    NASA Astrophysics Data System (ADS)

    McMillan, Paul F.

    High pressure-high temperature techniques are used to synthesise new solid state compounds and materials that can be developed for technological applications. Laboratory and synchrotron x-ray diffraction and optical spectroscopy are combined with ab initio calculations to determine the structures and properties of new materials. We describe recent work on major classes of new materials including boron-rich solids, transition metal nitride superconductors, nitride spinels and light element solids based in the C-N-H system using examples from our own work.

  6. Polymerization of formic acid under high pressure

    SciTech Connect

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

    2010-07-19

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

  7. Elasticity of Hydrogen at High Pressures

    NASA Astrophysics Data System (ADS)

    Goncharov, A. F.; Decremps, F.; Gauthier, M.; Ayrinhac, S.; Antonangeli, D.; Freiman, Y. A.; Grechnev, A.; Tretyak, S. M.

    2015-12-01

    High-pressure elastic properties of hydrogen give insight into anisotropy, equation of state, thermodynamic properties, and intermolecular potentials of this material providing an important link to ultrahigh pressure behavior approaching transformation to metallic monatomic or molecular state. Here we present picosecond acoustics measurements of compressional sound velocities [1] combined with optical interferometry and Raman spectroscopy of H2 and D2 at 295 K up to 55 GPa. Using the equation of state determined previously [2], we deduced the transverse sound velocities and the Poisson's ratio up to 55 GPa. The latter shows a broad minimum near 45 GPa (c.f. Ref. [3]) providing a new experimentally proven insight into lattice dynamics of hydrogen at high pressure that can be compared to theoretical calculations of various levels [4]. [1] F. Decremps, M. Gauthier, S. Ayrinhac, L. Bove, L. Belliard, B. Perrin, M. Morand, G. Le Marchand, F. Bergame, J. Philippe, Ultrasonics, 56 (2015) 129-140. [2] P. Loubeyre, R. LeToullec, D. Hausermann, M. Hanfland, R.J. Hemley, H.K. Mao, L.W. Finger, Nature, 383 (1996) 702-704. [3] C.-s. Zha, T.S. Duffy, H.-k. Mao, R.J. Hemley, Phys. Rev. B, 48 (1993) 9246-9255. [4] Y.A. Freiman, A. Grechnev, S.M. Tretyak, A.F. Goncharov, E. Gregoryanz, Fizika Nizkikh Temperatur, 41 (2015) 571.

  8. A picosecond high pressure gas switch

    SciTech Connect

    Cravey, W.R.; Poulsen, P.P.; Pincosy, P.A.

    1992-06-01

    Work is being done to develop a high pressure gas switch (HPGS) with picosecond risetimes for UWB applications. Pulse risetimes on the order of 200 picoseconds have been observed at 1 kHz prf and 1 atmosphere. Calculations show that switching closure times on the order of tens of picoseconds can be achieved at high pressures and higher electric fields. A voltage hold-off of 1 MV/cm has been measured at 10 atmospheres and several MV/cm appears possible with the HPGS. With these high electric field levels, energy storage of tens of Joules in a reasonably sized package is achievable. Initial HPGS performance has been characterized on the WASP pulse generator at LLNL. A detailed description of the switch used for initial testing is given. Switch recovery times of 1-ms have been measured at 1 atmosphere. Data on the switching uniformity, voltage hold-off recovery, and pulse repeatability, is presented. In addition, a physics switch model is described and results are compared with lab data.

  9. High-pressure droplet combustion studies

    NASA Technical Reports Server (NTRS)

    Mikami, Masato; Kono, M.; Sato, Junichi; Dietrich, Daniel L.; Williams, Forman A.

    1993-01-01

    This is a joint research program, pursued by investigators at the University of Tokyo, UCSD, and NASA Lewis Research Center. The focus is on high-pressure combustion of miscible binary fuel droplets. It involves construction of an experimental apparatus in Tokyo, mating of the apparatus to a NASA-Lewis 2.2-second drop-tower frame in San Diego, and performing experiments in the 2.2-second tower in Cleveland, with experimental results analyzed jointly by the Tokyo, UCSD, and NASA investigators. The project was initiated in December, 1990 and has now involved three periods of drop-tower testing by Mikami at Lewis. The research accomplished thus far concerns the combustion of individual fiber-supported droplets of mixtures of n-heptane and n-hexadecane, initially about 1 mm diameter, under free-fall microgravity conditions. Ambient pressures ranged up to 3.0 MPa, extending above the critical pressures of both pure fuels, in room-temperature nitrogen-oxygen atmospheres having oxygen mole fractions X of 0.12 and 0.13. The general objective is to study near-critical and super-critical combustion of these droplets and to see whether three-stage burning, observed at normal gravity, persists at high pressures in microgravity. Results of these investigations will be summarized here; a more complete account soon will be published.

  10. Sounding experiments of high pressure gas discharge

    SciTech Connect

    Biele, Joachim K.

    1998-07-10

    A high pressure discharge experiment (200 MPa, 5{center_dot}10{sup 21} molecules/cm{sup 3}, 3000 K) has been set up to study electrically induced shock waves. The apparatus consists of the combustion chamber (4.2 cm{sup 3}) to produce high pressure gas by burning solid propellant grains to fill the electrical pump chamber (2.5 cm{sup 3}) containing an insulated coaxial electrode. Electrical pump energy up to 7.8 kJ at 10 kV, which is roughly three times of the gas energy in the pump chamber, was delivered by a capacitor bank. From the current-voltage relationship the discharge develops at rapidly decreasing voltage. Pressure at the combustion chamber indicating significant underpressure as well as overpressure peaks is followed by an increase of static pressure level. These data are not yet completely understood. However, Lorentz forces are believed to generate pinching with subsequent pinch heating, resulting in fast pressure variations to be propagated as rarefaction and shock waves, respectively. Utilizing pure axisymmetric electrode initiation rather than often used exploding wire technology in the pump chamber, repeatable experiments were achieved.

  11. X-ray microtomography at high pressure

    NASA Astrophysics Data System (ADS)

    Lesher, C. E.; Wang, Y.; Gaudio, S.; Clark, A.; Yamada, A.; Sanehira, T.; Rivers, M.

    2009-05-01

    X-ray microtomography at high pressure is now possible with the rotating anvil apparatus (RAA) on the 13-BM- D beamline at the Advanced Photon Source (Argonne National Lab). The high-pressure X-ray tomography microscope (HPXTM) can be used to determine densities of amorphous materials (glasses and melts) and in situ characterization of 3D microstructure of multiphase materials subject to temperature and shear deformation [1, 2]. Densities may be obtained directly by volume rendering or from X-ray absorption. The rotating anvil apparatus is compressed by a 250-ton hydraulic press between concentric thrust bearings. Toroidal and truncated cylindrical (Drickamer) anvils can be accommodated. The latter anvils perform well up to 11.5 GPa and 1873K, using boron epoxy/diamond epoxy gaskets and X-ray transparent aluminum or polytherimide plastic containment rings. Differential rotation allows for controlled sample deformation. Pressure is determined by energy dispersive diffraction of an internal standard by convenient switching from monochromatic and polychromatic radiation. In-situ calibrations of linear attenuation coefficient permit bracketing of natural basalt density to better than 1 percent relative, while [2] used volume rendering to determine the compressibility of magnesium silicate glasses and supercooled liquid. The utility of the RRA to characterize microstructural evolution will be discussed. [1] Wang et al., Rev. Sci. Instrum., 76, 073709, 2005. [2] Lesher et al., PEPI, in press, DOI: 10.1016/j.pepi.2008.10.023, 2009

  12. (Ultra) High Pressure Homogenization for Continuous High Pressure Sterilization of Pumpable Foods – A Review

    PubMed Central

    Georget, Erika; Miller, Brittany; Callanan, Michael; Heinz, Volker; Mathys, Alexander

    2014-01-01

    Bacterial spores have a strong resistance to both chemical and physical hurdles and create a risk for the food industry, which has been tackled by applying high thermal intensity treatments to sterilize food. These strong thermal treatments lead to a reduction of the organoleptic and nutritional properties of food and alternatives are actively searched for. Innovative hurdles offer an alternative to inactivate bacterial spores. In particular, recent technological developments have enabled a new generation of high pressure homogenizer working at pressures up to 400 MPa and thus, opening new opportunities for high pressure sterilization of foods. In this short review, we summarize the work conducted on (ultra) high pressure homogenization (U)HPH to inactivate endospores in model and food systems. Specific attention is given to process parameters (pressure, inlet, and valve temperatures). This review gathers the current state of the art and underlines the potential of UHPH sterilization of pumpable foods while highlighting the needs for future work. PMID:25988118

  13. Novel Stable Compounds in the C-H-O Ternary System at High Pressure

    PubMed Central

    Saleh, Gabriele; Oganov, Artem R.

    2016-01-01

    The chemistry of the elements is heavily altered by high pressure, with stabilization of many new and often unexpected compounds, the emergence of which can profoundly change models of planetary interiors, where high pressure reigns. The C-H-O system is one of the most important planet-forming systems, but its high-pressure chemistry is not well known. Here, using state-of-the-art variable-composition evolutionary searches combined with quantum-mechanical calculations, we explore the C-H-O system at pressures up to 400 GPa. Besides uncovering new stable polymorphs of high-pressure elements and known molecules, we predicted the formation of new compounds. A 2CH4:3H2 inclusion compound forms at low pressure and remains stable up to 215 GPa. Carbonic acid (H2CO3), highly unstable at ambient conditions, was predicted to form exothermically at mild pressure (about 1 GPa). As pressure rises, it polymerizes and, above 314 GPa, reacts with water to form orthocarbonic acid (H4CO4). This unexpected high-pressure chemistry is rationalized by analyzing charge density and electron localization function distributions, and implications for general chemistry and planetary science are also discussed. PMID:27580525

  14. Novel Stable Compounds in the C-H-O Ternary System at High Pressure.

    PubMed

    Saleh, Gabriele; Oganov, Artem R

    2016-01-01

    The chemistry of the elements is heavily altered by high pressure, with stabilization of many new and often unexpected compounds, the emergence of which can profoundly change models of planetary interiors, where high pressure reigns. The C-H-O system is one of the most important planet-forming systems, but its high-pressure chemistry is not well known. Here, using state-of-the-art variable-composition evolutionary searches combined with quantum-mechanical calculations, we explore the C-H-O system at pressures up to 400 GPa. Besides uncovering new stable polymorphs of high-pressure elements and known molecules, we predicted the formation of new compounds. A 2CH4:3H2 inclusion compound forms at low pressure and remains stable up to 215 GPa. Carbonic acid (H2CO3), highly unstable at ambient conditions, was predicted to form exothermically at mild pressure (about 1 GPa). As pressure rises, it polymerizes and, above 314 GPa, reacts with water to form orthocarbonic acid (H4CO4). This unexpected high-pressure chemistry is rationalized by analyzing charge density and electron localization function distributions, and implications for general chemistry and planetary science are also discussed. PMID:27580525

  15. New developments in high pressure x-ray spectroscopy beamline at High Pressure Collaborative Access Team

    SciTech Connect

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

    2015-07-15

    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.

  16. Ceramic high pressure gas path seal

    NASA Technical Reports Server (NTRS)

    Liotta, G. C.

    1987-01-01

    Stage 1 ceramic shrouds (high pressure turbine gas path seal) were developed for the GE T700 turbine helicopter engine under the Army/NASA Contract NAS3-23174. This contract successfully proved the viability and benefits of a Stage 1 ceramic shroud for production application. Stage 1 ceramic shrouds were proven by extensive component and engine testing. This Stage 1 ceramic shroud, plasma sprayed ceramic (ZrOs-BY2O3) and bond coating (NiCrAlY) onto a cast metal backing, offers significant engine performance improvement. Due to the ceramic coating, the amount of cooling air required is reduced 20% resulting in a 0.5% increase in horsepower and a 0.3% decrease in specific fuel consumption. This is accomplished with a component which is lower in cost than the current production shroud. Stage 1 ceramic shrouds will be introduced into field service in late 1987.

  17. High-pressure stabilization of argon fluorides.

    PubMed

    Kurzydłowski, Dominik; Zaleski-Ejgierd, Patryk

    2016-01-28

    On account of the rapid development of noble gas chemistry in the past half-century both xenon and krypton compounds can now be isolated in macroscopic quantities. The same does not hold true for the next lighter group 18 element, argon, which forms only isolated molecules stable solely in low temperature matrices or supersonic jet streams. Here we present theoretical investigations into a new high-pressure reaction pathway, which enables synthesis of argon fluorides in bulk and at room temperature. Our hybrid DFT calculations (employing the HSE06 functional) indicate that above 60 GPa ArF2-containing molecular crystals can be obtained by a reaction between argon and molecular fluorine. PMID:26742478

  18. Synthesis of sodium polyhydrides at high pressures

    PubMed Central

    Struzhkin, Viktor V.; Kim, Duck Young; Stavrou, Elissaios; Muramatsu, Takaki; Mao, Ho-kwang; Pickard, Chris J.; Needs, Richard J.; Prakapenka, Vitali B.; Goncharov, Alexander F.

    2016-01-01

    The only known compound of sodium and hydrogen is archetypal ionic NaH. Application of high pressure is known to promote states with higher atomic coordination, but extensive searches for polyhydrides with unusual stoichiometry have had only limited success in spite of several theoretical predictions. Here we report the first observation of the formation of polyhydrides of Na (NaH3 and NaH7) above 40 GPa and 2,000 K. We combine synchrotron X-ray diffraction and Raman spectroscopy in a laser-heated diamond anvil cell and theoretical random structure searching, which both agree on the stable structures and compositions. Our results support the formation of multicenter bonding in a material with unusual stoichiometry. These results are applicable to the design of new energetic solids and high-temperature superconductors based on hydrogen-rich materials. PMID:27464650

  19. High pressure and high temperature apparatus

    DOEpatents

    Voronov, Oleg A.

    2005-09-13

    A design for high pressure/high temperature apparatus and reaction cell to achieve .about.30 GPa pressure in .about.1 cm volume and .about.100 GPa pressure in .about.1 mm volumes and 20-5000.degree. C. temperatures in a static regime. The device includes profiled anvils (28) action on a reaction cell (14, 16) containing the material (26) to be processed. The reaction cell includes a heater (18) surrounded by insulating layers and screens. Surrounding the anvils are cylindrical inserts and supporting rings (30-48) whose hardness increases towards the reaction cell. These volumes may be increased considerably if applications require it, making use of presses that have larger loading force capability, larger frames and using larger anvils.

  20. Synthesis of sodium polyhydrides at high pressures.

    PubMed

    Struzhkin, Viktor V; Kim, Duck Young; Stavrou, Elissaios; Muramatsu, Takaki; Mao, Ho-Kwang; Pickard, Chris J; Needs, Richard J; Prakapenka, Vitali B; Goncharov, Alexander F

    2016-01-01

    The only known compound of sodium and hydrogen is archetypal ionic NaH. Application of high pressure is known to promote states with higher atomic coordination, but extensive searches for polyhydrides with unusual stoichiometry have had only limited success in spite of several theoretical predictions. Here we report the first observation of the formation of polyhydrides of Na (NaH3 and NaH7) above 40 GPa and 2,000 K. We combine synchrotron X-ray diffraction and Raman spectroscopy in a laser-heated diamond anvil cell and theoretical random structure searching, which both agree on the stable structures and compositions. Our results support the formation of multicenter bonding in a material with unusual stoichiometry. These results are applicable to the design of new energetic solids and high-temperature superconductors based on hydrogen-rich materials. PMID:27464650

  1. Crystal structure of oligoacenes under high pressure

    SciTech Connect

    Oehzelt, M.; Aichholzer, A.; Resel, R.; Heimel, G.; Venuti, E.; Della Valle, R. G.

    2006-09-01

    We report crystal structures of anthracene, tetracene, and pentacene under pressure. Energy dispersive x-ray diffraction experiments up to 9 GPa were performed. Quasiharmonic lattice dynamics calculations are compared to the experimental results and show excellent agreement. The results are discussed with particular emphasis on the pressure dependence of the unit cell dimensions and the rearrangement of the molecules. The high pressure data also allow an analysis of the equation of state of these substances as a function of molecular length. We report the bulk modulus of tetracene and pentacene (B{sub 0}=9.0 and 9.6 GPa, respectively) and its pressure derivative (B{sub 0}{sup '}=7.9 and 6.4, respectively). We find that the unit-cell volume and bulk modulus at ambient pressure follow a linear relationship with the molecular length.

  2. Small, high-pressure liquid oxygen turbopump

    NASA Technical Reports Server (NTRS)

    Csomor, A.; Sutton, R.

    1977-01-01

    A small, high-pressure, liquid oxygen turbopump was designed, fabricated, and tested. The pump was of a single-stage, centrifugal type; power to the pump was supplied by a single-stage, partial emission, axial-impulse turbine. Design conditions included an operating speed of 70,000 rpm, pump discharge pressure of 2977 N/sq cm (4318 psia), and a pump flowrate of 16.4 kg/s (36.21 lb/sec). The turbine was propelled by LO2/LH2 combustion products at 1041 K (1874 R) inlet temperature, and at a design pressure ratio of 1.424. The approaches used in the detail analysis and design of the turbopump are described, and fabrication methods are discussed. Data obtained from gas generator tests, turbine performance calibration, and turbopump testing are presented.

  3. Small, high-pressure, liquid oxygen turbopump

    NASA Technical Reports Server (NTRS)

    Csomor, A.

    1978-01-01

    A small, high-pressure, LOX turbopump was designed, fabricated, and tested. The pump was of a single-stage, centrifugal type; power to the pump was supplied by a single-stage, partial-admission, axial-impulse turbine. Design conditions included an operating speed of 7330 rad/sec (70,000 rpm) pump discharge pressure of 2977 N/sq cm (4318 psia), and a pump flowrate of 16.4 kg/s (36.21 lb/sec). The turbine was propelled by LOX/LH2 combustion products at 1041 K (1874 R) inlet temperature, and at a design pressure ratio of 1.424. Test data obtained with the turbopump are presented and mechanical performance is discussed.

  4. Polymerization of Formic Acid under High Pressure

    SciTech Connect

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

    2004-08-23

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

  5. Synthesis of sodium polyhydrides at high pressures

    NASA Astrophysics Data System (ADS)

    Struzhkin, Viktor V.; Kim, Duck Young; Stavrou, Elissaios; Muramatsu, Takaki; Mao, Ho-Kwang; Pickard, Chris J.; Needs, Richard J.; Prakapenka, Vitali B.; Goncharov, Alexander F.

    2016-07-01

    The only known compound of sodium and hydrogen is archetypal ionic NaH. Application of high pressure is known to promote states with higher atomic coordination, but extensive searches for polyhydrides with unusual stoichiometry have had only limited success in spite of several theoretical predictions. Here we report the first observation of the formation of polyhydrides of Na (NaH3 and NaH7) above 40 GPa and 2,000 K. We combine synchrotron X-ray diffraction and Raman spectroscopy in a laser-heated diamond anvil cell and theoretical random structure searching, which both agree on the stable structures and compositions. Our results support the formation of multicenter bonding in a material with unusual stoichiometry. These results are applicable to the design of new energetic solids and high-temperature superconductors based on hydrogen-rich materials.

  6. Low energy high pressure miniature screw valve

    DOEpatents

    Fischer, Gary J.; Spletzer, Barry L.

    2006-12-12

    A low energy high pressure screw valve having a valve body having an upper portion and a lower portion, said lower portion of said valve body defining an inlet flow passage and an outlet flow passage traversing said valve body to a valve seat, said upper portion of said valve body defining a cavity at said valve seat, a diaphragm restricting flow between said upper portion of said valve body and said lower portion, said diaphragm capable of engaging said valve seat to restrict fluid communication between said inlet passage and said outlet passage, a plunger within said cavity supporting said diaphragm, said plunger being capable of engaging said diaphragm with said valve seat at said inlet and outlet fluid passages, said plunger being in point contact with a drive screw having threads engaged with opposing threads within said upper portion of said valve body such engagement allowing motion of said drive screw within said valve body.

  7. New High-Pressure Excitations in Parahydrogen

    SciTech Connect

    Goncharov, A.F.; Hemley, R.J.; Mao, H.; Shu, J.

    1998-01-01

    Raman and infrared spectroscopy of para-H{sub 2} to pressures in excess of 200GPa and to 8K using new ultrapure synthetic diamond anvils reveals numerous new vibrational excitations in the three high-pressure phases. Highly resolved Raman-active librons indicate differences in orientational ordering between phasesII and III, including evidence for changes within phaseII. The librons in phaseIII are strongly pressure dependent and reflect a substantial increase in ordering with pressure. Multiple vibrons in all three phases (I, II, and III) are observed. The results place new bounds on predicted crystal structures and dynamics of the dense molecular solid. {copyright} {ital 1997} {ital The American Physical Society}

  8. High pressure study of acetophenone azine

    NASA Astrophysics Data System (ADS)

    Tang, X. D.; Ding, Z. J.; Zhang, Z. M.

    2009-02-01

    High pressure Raman spectra of acetophenone azine (APA) have been measured up to 17.7 GPa with a diamond anvil cell. Two crystalline-to-crystalline phase transformations are found at pressures about 3.6 and 5.8 GPa. A disappearance of external modes and the C-H vibration at pressures higher than 8.7 GPa suggests that the sample undergoes a phase transition to amorphous or orientationally disordered (plastic) state, and the amorphization was completed at about 12.1 GPa. The disordered state is unstable and, then, a polymerization transformation reaction occurs with a further pressure increase. After the pressure has been released, the polymerization state can remain at the ambient condition, indicating that the virgin crystalline state is not recovered. The results show that the phenomenon underlying the pressure induced phase transition of APA may involve profound changes in the coordination environments of the symmetric aromatic azine.

  9. Structural behaviour of YGa under high pressure

    SciTech Connect

    Sekar, M. Shekar, N. V. Chandra Sahu, P. Ch.; Babu, R.

    2014-04-24

    High pressure X-ray diffraction studies on rare-earth gallide YGa was carried up to a pressure of ∼ 33 GPa using rotating anode x-ray source in an angle dispersive mode. YGa exhibits CrB (B33) type orthorhombic structure (space group Cmcm) at ambient pressure. It undergoes a reversible structural phase transition from orthorhombic to tetragonal structure at ∼ 8.8 GPa. Both the phases coexist up to the highest pressure studied. The zero pressure bulk modulus and its derivative for parent phase have been estimated to be B{sub o} = 60 ± 3 GPa, B{sub o}' = 4.6 ± 1.5.

  10. High Pressure Quick Disconnect Particle Impact Tests

    NASA Technical Reports Server (NTRS)

    Rosales, Keisa R.; Stoltzfus, Joel M.

    2009-01-01

    NASA Johnson Space Center White Sands Test Facility (WSTF) performed particle impact testing to determine whether there is a particle impact ignition hazard in the quick disconnects (QDs) in the Environmental Control and Life Support System (ECLSS) on the International Space Station (ISS). Testing included standard supersonic and subsonic particle impact tests on 15-5 PH stainless steel, as well as tests performed on a QD simulator. This paper summarizes the particle impact tests completed at WSTF. Although there was an ignition in Test Series 4, it was determined the ignition was caused by the presence of a machining imperfection. The sum of all the test results indicates that there is no particle impact ignition hazard in the ISS ECLSS QDs. KEYWORDS: quick disconnect, high pressure, particle impact testing, stainless steel