Pressure and temperature dependence of the structure of liquid Sn up to 5.3 GPa and 1373 K

Pressure and temperature dependence of the structure of liquid Sn has been measured up to 5.3?GPa and 1373?K using multi-angle energy-dispersive X-ray diffraction in Paris–Edinburgh cell. Under nearly isobar condition at ～1?GPa, liquid Sn displays a normal behavior with gradual structural changes with temperature up to 1373?K. Under isothermal compressions at 850 and 1373?K, however, the structure factors of liquid Sn both show a turn-over at ～3?GPa in the height of the first diffraction peak. According to the hard sphere cluster model, the structure of liquid Sn may be viewed as two different types of clusters. Below ～3?GPa, it is shown that the packing fraction of the dominant cluster (occupying ～0.94 fraction) changes with compression, while above ～3?GPa, the packing fractions and the hard sphere diameters of both clusters start to influence the structure, causing significant changes with increasing pressure. Our results suggest that the compression behavior of liquid Sn changes from localized densification only in one cluster below ～3?GPa to homogeneous structural changes in both clusters above ～3?GPa.     

Influence of shock-wave pressure up to 65 GPa on the crystal structure and superconducting properties of MgB2

The influence of shock-wave pressure treatment up to 65 GPa on the crystal structure and the superconducting transition temperature of a polycrystalline MgB₂ sample has been investigated. X-ray diffraction measurements have revealed that the shock-wave pressure does not result in any irreversible structural phase transitions in the MgB₂, except for microdistortions formed in the crystal structure of the shock-wave pressure-treated MgB₂ sample. This conclusion is in agreement with the results of superconducting transition temperature measurements of a MgB₂ sample performed before and after its shock-wave pressure treatment.     

Superconductivity at 50 K in a mixed-phase Ca–P–O compound system treated by shock-wave pressure up to 65 GPa

Shock-wave pressure treatment up to 65 GPa has been applied to samples representing powdered mixtures of calcium and calcium phosphate in 1:1 volume ratio. Magnetometric measurements have revealed superconductivity of the samples at 50 K. By means of X-ray powder diffraction and magnetometric measurements, it has been found that superconductivity observed in the samples corresponds to instability at ambient pressure and room temperature of the phase/s formed in the samples during their shock-wave pressure treatment.     

Molar volume, thermal expansivity and isothermal compressibility of trans-decahydronaphthalene up to 200MPa and 446K

The molar volume isotherms of trans-decahydronaphthalene （C10H18） between 293 and 446 K and at pressures from 10 to 200 MPa have been determined. A modified Tait equation of state is used to fit each experimental molar volume isotherm with a maximum average deviation of 0.029%. The thermal expansivity （cubic expansion coefficient） α and isothermal compressibility κ were determined by fitting the slopes of the isobaric curves and isotherms, respectively. The coefficients in the equation Vm=C1＋C2T＋C3T^2-C4p-C5pT have been fitted with an average deviation of 1.03%.     

Development of a high pressure stirring cell up to 2 GPa: a new window for chemical reactions and material synthesis

ABSTRACT

A new method for stirring under high pressure conditions has been developed and tested. The key component is a Teflon cell assembly equipped with magnetic stirring function, which is capable to operate across a wide pressure range, up to at least 2?GPa, in a large volume press. The setup enables adjustable stirrer rotation rate and detection of stirring in a sample, e.g. to observe liquid–solid phase transitions at high pressure. The viscosity limit of stirring is ca. 500 times that of water at room temperature (i.e. ～500?mPas). Moreover, we show that zinc oxide nanoparticles hydrothermally synthesized at 0.5?GPa and 100°C under stirring conditions show an order of magnitude smaller size (100?nm) compared to those synthesized under non-stirring conditions (1?μm). The wide pressure range for stirring of viscous media opens interesting possibilities to produce novel materials via hydrothermal synthesis and chemical reactions.     

High pressure studies of the high temperature superconductors RBa2Cu3O9−δ with R: Y,Eu and Ho up to 60 GPa

The crystal structure of the superconducting compounds RBa₂Cu₃O_9– where R is one of the rare earth metals Ho, Eu or Y, has been studied at room-temperature at pressures up to 60 GPa by synchrotron X-ray powder diffraction in a diamond anvil cell using the energy dispersive method At increasing pressure the compounds show semilar behavior with a bulk modulus in the range 140–176 GPa and a phase transition from an orthorhombic to a tetragonal structure at around 20 GPa. The transition is without a volume change and shows no hysteresis.     

Contribution to the study of structural and elastic properties of wüstite under pressure up to 140 GPa by pseudopotential calculations

Using first-principles calculations based on the density functional theory and the generalized gradient approximations, we have studied the effect of high pressures up to 140 GPa on the structural and elastic properties of wüstite. Our results indicate that FeO undergoes a structural phase transition from NaCl-type (B1) to NiAs-type (B8) almost at the pressure of 77 GPa. The density increases across this transition by about 5%, which is a higher value than that obtained in other researches. We can clearly present the wüstite elastic properties and isotropic wave velocities which are not already studied in this range of pressure, and we could compare these results with the available experiment data, especially with that of PREM model.     

Phase Transition and EOS of Marmatite （Zn0.76Fe0.23S） up to 623K and 17 GPa

In situ energy dispersive x-ray diffraction for natural marmatite （Zn0.76Fe0.23S） is performed up to 17. 7 GPa and 623 K. It is fit, ted by the Birch-Murnaghan equation of state （EOS） that Ko and α0 for marmatite are 85（3）GPa and 0.79（16）＊10^-4 K^-1, respectively. Fe^2＋ isomorphic replacing to Zn^2＋ in natural crystal is responsible for high bulk modulus and thermal expansivity of marmatite. Temperature derivative of bulk modulus （OK/OT）p for marmatite is fitted to be -0.044（23） GPaK^-1. The unambiguous B3-B1 phase boundaries for marmatite are determined to be Pupper（GPa）= 15.50 - 0.016T（℃） and Plower （GPa）=9.94-0.012T（℃） at 300-623K.     

The influence of pressure on spontaneous magnetization of Fe60Mn20B20 amorphous alloy at temperature range 77.4–300 K

Abstract

Amorphous, ferromagnetic, invar like, Fe₆₀ Mn₂₀ B₂₀ alloy has been investigated. Two kinds of experiments were carried out for this alloy. The first, using high pressure technique, revealed the influence of pressure on B(H) dependencies within the wide range of temperature under pressure of 0.5 GPa. From the magnetization curves obtained during these experiments the decrease of spontaneous magnetization caused by applied pressure 0.5 GPa at temperature -180°C has been calculated at the rate about 7 10^?11T/Pa.

In the second kind of experiments the measurements of volume magnetostriction up to 720 kA/m magnetic field intensity have been done. Volume magnetostriction coefficient at temperature 77.4 K has been determined to be about 2 10^?11 [A/m]^?1.     

Effect of alloying on the stabilities and catalytic properties of Pt–Au bimetallic subnanoclusters: a theoretical investigation

Density functional theory (DFT) has been applied to study the geometrical and electronic structures and the catalytic properties for NO oxidation of pure Pt and PtAu clusters. The calculated results suggest that Pt₁₀ clusters shows the most stable structure among the pure Pt _n (n = 2–13) clusters with the local maximum Δ₂ E value. The doping of Au atoms reduces the stability of the clusters, and Pt₆Au₄ cluster has the most stable structure among Pt_10?n Au _n (n = 1–7) clusters, due to the closest band centers between Pt and Au atoms (0.83 eV) and the obvious s–p resonance peaks near the Fermi level. Pt₆Au₄ cluster displays the strongest activation of O₂ molecules among Pt_10?n Au _n (n = 0–7) clusters, owing to the clear overlap between O 2p and Pt 6 s and Au 6 s near the Fermi level, and the more positive d band center than the others. The interaction between NO and metals changes slightly in NO/Pt_10-nAu_n (n = 2–7) systems, which is weaker than that in NO/Pt₉Au system, as a result of the decreasing resonance peaks of sp hybridization near the Fermi level. Compared to pure Pt₁₀ cluster, the lower energy barriers and larger reaction energies on Pt₆Au₄ cluster suggest a higher catalytic activity of PtAu cluster for the O₂ dissociation and NO oxidation reactions. Our study provides atomic-scale insights into the nature of the interfacial effect that determines NO oxidation on PtAu cluster catalysts.     

Microphotoluminescence of C<Subscript>60</Subscript> Fullerites Synthesized under a Pressure of 13 GPa and Temperatures of 770–2100 K

C₆₀ fullerite samples synthesized under a pressure of P = 13 GPa and temperatures of T_s = 770 ? 2100 K were studied by scanning microphotoluminescence (MPL) at room temperature. The MPL of cleaved chip surfaces indicates the presence of emitting areas with linear dimensions from 35 to 350 μ. A band at 700 nm, which is characteristic for linear and planar C₆₀ polymers, was revealed in all 3D-polymerized fullerites too. New bands at 1100?2300 nm are observed in PL spectra of substances synthesized at 870 ≤ T_s ≤ 1270 K. Separated areas of several optically active moieties responsible for luminescence in the range 1100?2300 nm were detected by MPL cartography. The origin of this band is tentatively attributed to traps located on C₆₀-oxygen and nitrogen inclusions associated with defects of the crystal lattice.     

High temperature proton conductors. Note III: Solid state conductivity of mixtures of calcium phosphates at 200–400°C under steam pressure

The conductivity of calcium phosphates has been found related to the simultaneous presence of P-OH functions and hydration water. Thus at 200–300°C in 5 atm flowing steam the conductivities of Ca(H₂PO₄)₂·H₂O and CaHPO₄·2H₂O are > 10⁻³ ω⁻¹ cm⁻¹. Both the anhydrous acid hydrogen phosphates, CaHPO₄ and Ca₂HP₃O₁₀, and the neutral phosphates, Ca₂P₂O₇, Ca(PO₃)₂ and Ca₃(PO₄)₂, have lower conductivities.     

Hydrostaticity and hidden order: effects of experimental conditions on the temperature–pressure phase diagram of URu2Si2

The pressure dependence of the hidden order phase transition of URu₂Si₂ is shown to depend sensitively upon the quality of hydrostatic pressure conditions during electrical resistivity measurements. Hysteresis in pressure is demonstrated for two choices of pressure medium: the commonly used mixture of 1:1 Fluorinert FC70/FC77 and pure FC75. In contrast, no hysteresis is observed when the pressure medium is a 1:1 mixture of n-pentane/isoamyl alcohol, as it remains hydrostatic over the entire studied pressure range. Possible ramifications for the interpretation of the temperature–pressure phase diagram of URu₂Si₂ are discussed.     

In situ observation of pressure-induced electrical resistance changes in zirconium: pressure calibration points for the large volume press at 8 and 35 GPa

Simultaneous in situ pressure–resistance measurements were carried out up to 40 GPa using a multianvil apparatus with synchrotron-based X-ray diffraction (XRD) measurements. Pressure-induced electrical resistance changes in zirconium were measured at ambient temperatures and two discontinuities were observed around the α–ω and ω–β structural phase transitions. The transition pressures were strictly determined from simultaneous measurements of the electrical resistance and in situ XRD as 7.96±0.16 and 34.5±0.3 GPa, respectively, using an equation of state for gold as the pressure scale. The precisely determined transition pressures are available for room temperature pressure calibration points for large volume presses installed at offline laboratories.     

Analysis of the seventh-order Caputo fractional KdV equation: applications to the Sawada–Kotera–Ito and Lax equations

In this study, we investigate the seventh-order nonlinear Caputo time-fractional KdV equation.The suggested model’s solutions, which have a series form, are obtained using the hybrid ZZtransform under the aforementioned fractional operator. The proposed approach combines the homotopy perturbation method(HPM) and the ZZ-transform. We consider two specific examples with suitable initial conditions and find the series solution to test their applicability. To demonstrate the utility of the presented...