High pressure and high temperature generation using small-sized cubic-type multi-anvil apparatus

High pressure and high temperature conditions of 4 GPa and 500°C were generated using a small-sized cubic-type multi-anvil apparatus, which was originally developed for high pressure and low temperature experiments. The drop in pressure was negligible as the temperature was increased from room temperature to 300°C at 4.5 GPa under conditions where the press was clamped. Two-dimensional X-ray diffraction images were successfully obtained from a pure aluminum specimen at 4 GPa and 500°C in the angle-dispersive mode.     

同步辐射X射线光源在高压科学研究中的应用

同步辐射X射线光源已经成功地应用到高压科学研究的诸多领域.文章简要回顾了同步辐射高压技术的发展历史,简要介绍了同步辐射X射线衍射技术在高压状态方程、强关联体系、地球内部物质以及早期生命起源等研究中的应用.介绍了同步辐射X射线光谱技术(包括晶格振动声子谱的测量)在高压研究中的应用,此外,还介绍了时间分辨的同步辐射技术在冲击压缩研究中的应用,最后展望了未来先进光源应用于高压科学研究的前景.     

高温高压下爆轰产物中不同种分子间的相互作用

给出了一种由特殊炸药的爆轰参数确定不同种分子间势函数参数的方法:由基于统计物理的爆轰产物物态方程程序类CHEQ,计算炸药RX-23-AB,HNB和PETN的爆轰参数,反推分子间的相互作用.给出了炸药主要爆轰产物H₂O,CO₂和N₂之间的非理想混合修正系数:K_N2-H2O=1.03,k_N2-CO2=1.035,k_H2O-CO2=0.96,将本文确定的不同种分子间势函数参数用于计算炸药PBX9404的超高压雨贡纽,获得了与实验一致的结果,验证了方法和参数的合理性.     

高温高压下爆轰产物分子间相互作用的研究

给出了一种由分子流体的冲击Hugoniot实验数据确定原分子之间和离解产物分子、原子相互间作用势参数的方法. 在较低压强下,采用Ross硬球微扰理论软球修正模型确定原分子之间的相互作用势参数;在较高压强下,采用基于统计物理的化学平衡方法来确定分子离解后的分子和原子之间的相互作用势参数. 与传统的由对应状态定律确定势函数参数的方法相比,所得到的势函数参数在很大的压强范围内都能较好地描述冲击实验. 关键词： 高温高压 化学平衡 冲击Hugoniot实验     

High-pressure Raman study of MgV2O6 synthesized at high pressure and high temperature

A new structural phase of MgV2O6 was obtained by a high-pressure,high-temperature(HPHT) synthesis method.The new phase was investigated by the Rietveld analysis of X-ray powder diffraction data,showing space group Pbcn(No.60) symmetry and a = 13.6113(6) (1 = 0.1 nm),b = 5.5809(1) ,c = 4.8566(3) ,V = 368.93(2) 3(Z = 4).High pressure behavior was studied by Raman spectroscopy at room temperature.Under 22.5 GPa,there was no sign of a structural phase transition in the spectra,demonstrating stability of the HPHT phase up to the highest pressure.     

Characterization of the fcc-distorted fcc-structural transition in lanthanum in an extended pressure and temperature range

Abstract

The displacive transition in La is studied in the pressure range up to 26 GPa and under temperatures up to 630 K with angular dispersive X-ray diffraction at the ESRF and with energy dispersive X-ray diffraction in HASYLAB to elucidate further details of this transition with an extension of the transition line up to 22.5(5) GPa and 590(10) K and a determination of the order parameter down to a level of η ≈=5· 10^?4.     

Thermodynamic properties of MgO under high pressure from first-principles calculations

The equations of state (EOS) and other thermodynamic properties of the rocksalt (RS) structure MgO are investigated by ab initio plane-wave pseudopotential density functional theory method. The obtained results are consistent with the experimental data and those calculated by others. Through the quasi-harmonic Debye model, in which the phononic effects are considered, the dependences of relative volume V/V₀ on pressure P, cell volume V on temperature T, and Debye temperature Θ and specific heat C_V on pressure P are successfully obtained. The variation of the thermal expansion with temperature and pressure is investigated, which shows the temperature has hardly any effect on the thermal expansion at higher pressure.     

Synchrotron X-ray diffraction study of phenacite at high pressure

We report the results of a natural phenacite from 0 to 30.9 GPa using in situ angle-dispersive X-ray diffraction and a diamond anvil cell at the National Synchrotron Light Source, Brookhaven National Laboratory. Over this pressure range, no phase change or disproportionation has been observed. The isothermal equation of state was determined. The values of V₀, K₀, and K₀′ refined with a third-order Birch-Murnaghan equation of state are V₀=1116.1±1.2 ų, K₀=223±9 GPa, and K₀′=5.5±0.8. Furthermore, we confirm that the linear compressibilities (β) along a and c directions of phenacite are elastically isotropic (β_a=1.50×10^-3 and β_c=1.34×10^-3 GPa^-1). Consequently, it can be concluded that the compressibility of phenacite under high pressures has been accurately constrained.     

Diffraction study of actinides under pressure

Abstract

Uranium and thorium have sufficiently low radioactive dose rates to allow their study at synchrotrons and neutron facilities. Correspondingly, numerous compounds of these two actinides have been studied under pressure by synchrotron x-ray diffraction. The maximum pressures reached were on the order of 60-80 GPa, and 300 GPa in one case.

The situation is much more difficult for all other actinides. Their high level of radioactivity has up to now prevented their study at synchrotrons, except in a few special cases. In contrast, all actinide metals available in sufficient quantities, and a large number of compounds of highly radioactive actinides, have been studied in highpressure laboratory facilities.

Recent examples of in situ high pressure x-ray diffraction work will be described.     

In-situ high pressure X-ray diffraction studies of orthoferrite SmFeO_3

The high-pressure behaviors of SmFeO3 are investigated by angle-dispersive synchrotron X-ray powder diffraction under a pressure of up to 40.3 GPa at room temperature. The crystal structure of SmFeO3 remains stable at up to the highest pressure. The different pressure coefficients of the normalized axial compressibility are obtained to be βa = 0.60 × 10-3 GPa-1,βb = 0.79 × 10-3 GPa-1, βc = 1.28 × 10-3 GPa- 1, and the bulk modulus （B0） is determined to be 293（3） GPa by fitting the pressure-volume data using the Birch-Murnaghan equation of state. Furthermore, the larger compressibility of the FeO6 octahedra suggests the evolution of the orthorhombic structure towards higher symmetry configuration at high pressures.     

Pressure-induced phase transition of wulfenite

The in-situ high-pressure structures of wulfenite have been investigated by means of angular dispersive X-ray diffraction with diamond anvil cell and synchrotron radiation. In the pressure up to 22.9 GPa, a pressure-induced scheelite-to-fergusonite transition is observed at about 10.6 GPa. The pressure dependence for the lattice parameters of wulfenite is reported, and the axial compression coefficients Ka₀=－1.36×10^－3 GPa^－1 and Kc₀= －2.78×10^－3 GPa^－1 are given. The room-temperature isothermal bulk modulus is also obtained by fitting the P-V data using the Murnaghan equation of state.

     

γ-Ce中的高压纵波声子模软化和状态方程描述

利用同步辐射角散X射线衍射技术测量了室温条件下0---0.74 GPa 压力范围内Ce的等温压缩线.发现γ-Ce的室温等温压缩线呈外凸形, 这是由其纵波声子模软化所致.利用超声测量得到的体弹性模量随压力变化的规律, 对实验所得到的压力与体积数据, 用二阶和三阶Murnaghan 方程、 二阶和三阶Birch 方程、 三阶Xu方程以及二阶Vinet方程进行比较, 并且对这些状态方程得到的体弹性模量随压力的变化规律与超声实验的结果相对比, 发现三阶Murnaghan 方程和三阶Xu方程对γ-Ce最适用.     

Synchrotron X-ray diffraction study of haüyne at high pressure

The compression behavior of a natural haüyne has been investigated to about 8.1 GPa at 300 K using in situ angle-dispersive X-ray diffraction and a diamond anvil cell at High Pressure Experiment Station, Beijing Synchrotron Radiation Facility (BSRF). Over this pressure range, no phase change or disproportionation has been observed. The isothermal equation of state was determined for the first time. The values of V₀, K₀, and K′₀ refined with a third-order Birch-Murnaghan equation of state are V₀=751.6±0.4 Å³, K₀=49±1 GPa, and K′₀=3.3±0.3, respectively.     

A high pressure,high temperature study of 1,1-diamino-2,2-dinitro ethylene

We report a synchrotron energy-dispersive X-ray diffraction study of the novel high explosive 1,1-diamino-2,2-dinitroethylene at high pressures and high temperatures. Pressure was generated using a Paris–Edinburgh cell to employ larger sample volumes. High temperatures were created using a resistive graphite cylinder surrounding the sample. The PT phase diagram was explored in the 3.3 GPa pressure range and in the ～ 400°C temperature range. We believe that the sample commenced in the α-phase and then ended up in an amorphous phase when the temperature increased beyond 280°C near 2 GPa, which we believe to be the γ-phase. Further pressure and temperature cycling suggests that the sample transformed reversibly into and out of the amorphous phase near the phase line.     

Structural stability of ultra-high temperature refractory material MoSi_2 and Mo_5Si_3 under high pressure

In-situ angle dispersive x-ray diffraction(ADXRD) with synchrotron radiation source is performed on an ultra-high temperature refractory of MoSi_2 and Mo_5Si_3 by using a diamond anvil cell(DAC) at room temperature. While the pressureinduced volume reduction is almost constant, the value of the bulk modulus increases with the decrease of molybdenum content in the system. According to the Brich–Murnaghan equation, the bulk modulus 222.1(2.1) GPa with its pressure derivative 4 of MoSi_2, and the bulk modulus 308.4(7.6) GPa with its pressure derivative 0.7(0.1) of Mo_5Si_3 are obtained.The experimental data show that MoSi_2 has distinct anisotropic behavior, Mo_5Si_3 is less anisotropic than MoSi_2. The result shows that MoSi_2 and Mo_5Si_3 have the structural stabilities under high pressure. When the pressure reaches up to 41.1 GPa, they can still maintain their body-cantered tetragonal structures.     

The representation of thermodynamic properties at high pressures

It is sometimes advantageous to have an expression for the Gibbs energy, G_m(T,P), from which one can analytically derive an expression for the Heimholtz energy, F_m(T, V_m). Such an expression is suggested for solid substances and it is shown how expressions for other physical properties can be derived from it.     

盐石结构MgO的状态方程的第一原理计算

利用平面波密度泛函理论研究了盐石结构MgO的状态方程,所得到的结果与实验值和其他作者的计算值符合很好.同时,还研究了热膨胀系数随温度和压强的变化关系.结果显示:在高压下,温度对盐石结构MgO热膨胀系数的影响很小.     

纤锌矿氮化硼及其应用的研究（Ⅱ）——纤锌矿型氮化硼的等温状态方程

 使用两种不同的高压在位X光衍射法，研究了用爆炸法合成的纤锌矿型氮化硼（wBN）在室温下的等温状态方程。一种方法是用转靶X光角色散粉末衍射法，研究了它在0~40 GPa压力范围内的等温压缩行为。结果表明，wBN在0~40 GPa的压力范围内是稳定的，没有发生结构相变。通过p-V数据对Murnaghan方程拟合，得到wBN在p=0时的等温体模量B₀=(335±34) GPa及其对压力的一阶导数B₀'=4.21；另一种是用同步辐射X光能量色散衍射法，研究了它在0~25 GPa压力范围内的等温状态方程。实验中，使用了改进的自动加压的DAC高压装置，此装置保证了实验中衍射角θ₀固定不变。将获得的p-V数据仍用Murnaghan方程拟合，得到wBN在p=0时等温体模量B₀=(280±56) GPa，及其B₀'=4.39。