Equation of state of liquid Fe–17 wt%Si to 12 GPa

Equation of state (EOS) of liquid Fe–17 wt%Si has been investigated at a temperature of 1773 K and pressures up to 12 GPa by the sink/float technique using composite spheres. The EOS of liquid Fe–17 wt%Si, in the form of the second order Birch–Murnaghan equation, produces K _0T=68±2 GPa when K′_0T=4.0. Considering the effect of temperature and pressure on K _0T, extrapolation of this EOS to Earth's outer core conditions reveals that the addition of Si to liquid Fe decreases its density ρ and increases its compressional wave velocity V _P , indicating that Si is a possible light element candidate in the outer core. The possible existence of Si in the cores of other planetary bodies is also discussed.     

Optical and IR study of Li2O–CuO–P2O5 glasses

Infrared (IR) and UV spectra of ternary Li₂O–CuO–P₂O₅ glasses in two series Li₂O(65−X)%–CuO(X%)–P₂O₅(35%), X = 20, 30, 40 and Li₂O(55−X)%–CuO(X%)–P₂O₅(45%), X = (10, 20, 30) were studied. Infrared (IR) investigations showed the metaphosphate and pyrophosphate structures and with increase of CuO content in metaphosphate glass, the skeleton of metaphosphate chains is gradually broken into short phosphate groups such as pyrophosphate. IR spectra showed one band at about 1,220 and 1,260 cm⁻¹ for P₂O₅(35%) and P₂O₅(45%) series, respectively, assigned to P=O bonds. For CuO additions ≤20 mol%, the glasses exhibit two bands in the frequency range 780–720 cm⁻¹ which are attributed to the presence of two P–O–P bridges in metaphosphate chain. But for CuO addition ≥30 mol%, the glasses exhibit only a single band at 760 cm⁻¹ which is assigned to the P–O–P linkage in pyrophosphate group. In optical investigations, absorption coefficient versus photon energy showed three regions: low energy side, Urbach absorption, and high energy side. In Urbach’s region, absorption coefficient depends exponentially on the photon energy. At high energy region, optical gap was calculated and investigations showed indirect transition in compounds and decreases in optical gap with increases of copper oxides contents that is because of electronic transitions and increasing of nonbridging oxygen content.     

Infrared study of hydrogen up to 310 GPa at room temperature

We observed a strong difference of the pressure dependence of the infrared (IR) active molecular vibron of hydrogen in phase IV in the 200–310 GPa pressure range in comparison with the Raman vibrons. While the Raman vibron strongly splits (～250 cm^?1) at the transition from phases III to IV at 220 GPa, the IR vibron nearly does not change. This small spitting of IR vibron is not described by the graphene-like structure proposed for phase IV. The combined pressure dependence of Raman and IR vibrons provides a sensitive test for further theoretical models of phase IV.     

High-pressure study of NaAlH4 by Raman spectroscopy up to 17 GPa

A high-pressure Raman study was carried out on NaAlH₄ up to 17 GPa using the diamond anvil cell method. In the pressure region 2–5 GPa, several of the original modes split. Although this might be a sign of some structural change, the spectral changes do not allow us to claim the existence of a clear phase transition in this pressure range. The spectra revert to their ambient pressure forms on decreasing pressure below<3.0–1.4 GPa. A phase transition to β-NaAlH₄ was found at 14–16 GPa. This phase transition is also reversible with an unusually strong hysteresis: the β-NaAlH₄ can be followed upon decompression down to 3.9 GPa. Analysis of Raman data shows that this phase transition is compatible with a theoretical prediction of a strong volume collapse.     

Precise measurement of Brillouin scattering spectrum in the ocean using F–P etalon and ICCD

A new method for analyzing the signal of the spectrum of Brillouin scattering in the ocean using F–P etalon and ICCD is proposed. It is based on the principle of interference of the F–P etalon. The capability of the method is confirmed by processing experimental data from stimulated Brillouin scattering spectrum in the water at different temperatures. The experimental results show very good agreement with theoretical values. This method provides a feasible way to measure Brillouin frequency shift and line width with high precision.     

Viscosity of argon to 5 GPa and 673 K

A rolling-sphere technique has been used to measure shear viscosities of (supercritical) fluid argon in the diamond-anvil cell between the temperatures of 294 and 673 K, up to a maximum pressure of 5 GPa. At these pressures, the viscosities can be fit to a modified free-volume expression. A single correlation between reduced viscosity and reduced residual entropy is shown to give a good account of the current high pressure data, data at lower pressures and those for the sub-critical liquid.     

Experimental study of detonation in a cryogenic two-phase H2–O2 flow

Direct initiation and propagation of detonation through a cryogenic two-phase flow constituted by liquid oxygen droplets in gaseous hydrogen at 100 K are experimentally investigated. The influence of droplet size distribution is characterized in a cryogenic gaseous helium and liquid oxygen two-phase flow. Droplet sizing and detonation experiments are conducted by varying different parameters: distance from the injector, helium and hydrogen mass flow rates, global equivalence ratio and addition of gaseous nitrogen. Droplet size distributions reveal quick vaporization of the smallest droplets of the cryogenic jet. Results in terms of wave velocity, pressure, and detonation cells show that a detonation wave can be directly initiated, with a propagation wave velocity of 20% higher than the Chapman–Jouguet value. Cell size measurements show that the mixture sensitivity is not affected by the presence of droplets. Addition of gaseous nitrogen reduces only slightly the peak pressure, but the detonation velocity is reduced by about 30%.     

Thermal Dehydration and Vibrational Studies of ZnK4(P3O9)2 · 6H2O

The thermal dehydration of ZnK₄(P₃O₉)₂ · 6H₂O was studied in the range 25–500°C by thermogravimetric analysis (TGA and DSC) and X‐ray diffraction. We found, based on the TGA and DSC scans, the dehydration of this salt takes place in three stages with a loss of the six water molecules. The infrared and Raman spectra of ZnK₄(P₃O₉)₂ · 6H₂O have been recorded and interpreted using a factor group analysis. The internal modes are assigned in terms of POP and PO₂ structural units using experimental and theoretical IR and Raman frequencies.     

Improved output energy characteristic of optical limiting based on double stimulated Brillouin scattering

In order to improve the optical limiting performance based on stimulated Brillouin scattering (SBS), a method based on double SBS is proposed in this paper. The dependence of the output energy of optical limiting based on double SBS on the pump energy is numerically simulated, and experimentally validated with an Nd:YAG seed-injected laser. The results indicate that only the first SBS optical limiting works in the case of low pump energy. However, as the pump energy increases, the second SBS process can be activated if the transmitted power of the first SBS is still above the SBS threshold. Therefore, the output energy characteristic of optical limiting based on double SBS is much better than that based on single SBS. Owing to the sub-nanosecond response time and a high power threshold, the SBS optical limiting can provide protection in high power laser systems.     

A quantum wavepacket study of three-dimensional Ne—H+ 2 scattering

The state-to-state and state-to-all reaction probabilities have been calculated for three-dimensional reactive and inelastic scattering of Ne + H⁺ ₂ (v = 0, j = 0, 1, 2) at zero total angular momentum. The time-dependent Schrödinger equation is solved by means of Fourier grid and discrete variable representation techniques. The inelastic and reactive scattering probabilities for a broad range of energies are calculated. Although the system has an open reactive channel, the results show that a high fraction of the flux is reflected back due to endoergicity and potential barriers leading to inelastic scattering.     

The equation of state of triolein up to 1 GPa

In this paper, the compressibility studies of triolein up to 1 GPa at temperature range from 10°C to 50°C have been presented. The discontinuity of V(p) relation, characteristic for the first-order phase transition was observed. At higher temperatures (40°C and above), the time necessary for the phase transition rises considerably. Also the pressure–volume hysteresis due to the phase formation–decomposition cycle was enlarged.     

Constant electrical resistivity of Zn along the melting boundary up to 5 GPa

We measured the electrical resistivity of high purity Zn along the melting boundary, up to 5?GPa in a large volume press. The electrical resistivity remained constant on the melting boundary, as predicted in a thermodynamics-based model for simple metals. The effects of pressure and temperature on the electrical resistivity of the solid and liquid states are interpreted in terms of their antagonistic effects on the electronic structure of Zn. Within the error of measurements, our melting temperature data agree well with those of the previous studies. The electronic thermal conductivity was calculated from resistivity data using the Wiedemann–Franz law and shows a decrease with temperature in the solid state and an increase in the liquid state, with a large decrease on melting. Comparison of calculated electronic and measured total thermal conductivities indicates that the electronic component dominates over the phonon component in Zn.     

Decreasing electrical resistivity of silver along the melting boundary up to 5 GPa

The electrical resistivity of Ag was experimentally measured at high pressures up to 5?GPa and at temperatures up to ～300?K above melting. The resistivity decreased as a function of pressure and increased as a function of temperature as expected and is in very good agreement with 1 atm data. Observed melting temperatures at high pressures also agree well with previous experimental and theoretical studies. The main finding of this study is that resistivity of Ag decreases along the pressure- and temperature-dependent melting boundary, in conflict with prediction of resistivity invariance. This result is discussed in terms of the dominant contribution of the increasing energy separation between the Fermi level and 4d-band as a function of pressure. Calculated from the resistivity using the Wiedemann–Franz law, the electronic thermal conductivity increased as a function of pressure and decreased as a function of temperature as expected. The decrease in the high pressure thermal conductivity in the liquid phase as a function of temperature contrasts with the behavior of the 1 atm data.     

High pressure X-ray diffraction and Raman spectroscopic studies of the phase change of D2O ice VII at approximately 11 GPa

High pressure experiments were performed on D₂O ice VII using a diamond anvil cell in a pressure range of 2.0–60 GPa at room temperature. In situ X-ray diffractometry revealed that the structure changed from cubic to a low symmetry phase at approximately 11 GPa, based on the observed splitting of the cubic structure's diffraction lines. Heating treatments were added for the samples to reduce the effect of non-hydrostatic stress. After heating, splitting diffraction lines became sharp and the splitting was clearly retained. Although symmetry and structure of the transformed phase have not been determined, change in volumes vs. pressure was calculated, assuming that the low-symmetry phase had a tetragonal structure. The bulk modulus calculated for the low-symmetry phase was slightly larger than that for the cubic structure. In Raman spectroscopy, the squared vibrational frequencies of ν₁ (A_1g), as a function of pressure, showed a clear change in the slope at 11–13 GPa. The full width at half maxima of the O-D modes decreased with increasing pressure, reaching a minimum at approximately 11 GPa, and increased again above 11 GPa. These results evidently support the existence of phase change at approximately 11 GPa for D₂O ice VII.     

Decreasing electrical resistivity of gold along the melting boundary up to 5 GPa

ABSTRACT

The electrical resistivity of gold was experimentally measured at high pressures from 2 to 5?GPa and temperatures ～300?K above melting. The resistivity decreased as a function of pressure and increased as a function of temperature as expected. The temperature dependence of resistivity in the solid and liquid phases are comparable to 1?atm results. The observed melting temperatures at each pressure agree well with previous experimental and theoretical studies. The essential result of this study is that resistivity decreases along the pressure-dependent melting boundary, conflicting with a prediction of invariant behavior as reported in the literature. This result is discussed in terms of the interaction between s and d-bands as both pressure and temperature increase along the melting boundary. The thermal conductivity of gold was calculated from the measured electrical resistivity using the Wiedemann-Franz law. The temperature-induced effect on the thermal conductivity at high temperatures is as expected in both the solid and liquid phase while the pressure-effect shows some variability.     

A study of melting of various types of Pt–Pd nanoparticles

The melting processes of various Pt–Pd nanoparticles (binary alloy, core–shell, D ≤ 4.0 nm) with different percent platinum atom content are investigated via the molecular dynamics using the embedded atom method potential in order to establish the thermal stability of simulated particle structure. In accordance with the data obtained, the most thermally stable are Pt–Pd nanoalloys with a diameter above 2.0 nm and core–shell Pd@Pt particles. As is shown, heating of binary Pt–Pd cluster alloys with the particle diameters less than 2.0 nm may cause the transition to pentagonal symmetry structures and core–shell-like complex formations.

     

Four-body calculations of elastic scattering in H–H̄ collisions

We present a nonadiabatic treatment of the hydrogen-antihydrogen system. The technique used to describe H- H? collisions is based on the coupled rearrangement channels method. Within this approach the total, nonadiabatic wave function of the system is divided into two parts: an inner and an outer one. To describe the inner part a set of square-integrable 4-body functions is used. These functions are obtained by a diagonalization of the total Hamiltonian projected on a chosen L ² subspace, they explicitly contain components of various arrangement channels expressed in terms of corresponding Jacobi coordinates. The outer part of the total wave function reflects its asymptotic character. Our procedure leads to the system of non-local integro-differential equations that are solved iteratively and simultaneously determine both the shape of the outer part of the wave function and the coefficients in the four-body expansion of the inner part. Using this formalism we perform the one-channel calculation of the elastic scattering to obtain the S-matrix and nonadiabatic scattering length.     

A quantum wave packet study of three-dimensional inelastic scattering: He—H2

A time-dependent quantum mechanical method has been described to calculate the state-to-state inelastic scattering probabilities for three-dimensional atom—diatom inelastic scattering at the zero total angular momentum. The method utilizes the potentially optimized discrete variable representation (DVR) technique for operating a diatomic Hamiltonian on the wave function and avoids the necessity of repeating many Fourier transformations for this operation. The method has been applied to the He + H₂(v,j)→ He + H₂(v′,j′) inelastic scattering problem.     

E.P.R. study of γ-irradiated single crystals of K2C2O4.H2O and (NH4)2C2O4.H2O

The electron paramagnetic resonance of γ-irradiated single crystals of K₂C₂O₄.H₂O and (NH₄)₂C₂O₄.H₂O has been studied. The spectra show interesting microwave power saturation effects. The singlet spectrum is attributed to the C₂O₄ ^- radical derived from the C₂O₄ ^-- ion. The principal g-values are determined to be 1·998, 2·0028 and 2·0004. Certain weak lines are observed with different power saturation and interpreted as due to OH radicals derived from water molecules in the crystal lattice.