Melting of B12P2 boron subphosphide under pressure

Melting of boron subphosphide (B₁₂P₂) to 26?GPa has been studied by in situ synchrotron X-ray powder diffraction in a laser-heated diamond anvil cell, and by quenching and electrical resistance measurements in a toroid-type high pressure apparatus. B₁₂P₂ melts congruently, and the melting curve has a positive slope of 23(6)?K/GPa. No solid-state phase transition was observed up to the melting in the whole pressure range under study.     

Thermoelastic behaviour of hexagonal graphite-like boron nitride

Abstract

A synchrotron X-ray diffraction study on hexagonal graphite-like boron nitride (h-BN) was performed under high pressures and temperatures. From the measured P-V-Trelation for h-BN (with a three-dimensional ordering parameter P₃ = 0.9) in the temperature range from 298 to 1273 K and up to 6.7 GPa, the thermoelastic parameters are derived by fitting a modified high temperature Birch-Murnaghan equation of state. The results are: bulk modulus B₀[GPa] = 27.6-0.0081(T[K]-298) and its pressure derivative B¹ = 10.5 + 0.0016(T [K] - 298). These values are for samples with P₃ = 0.9 and are quite different for samples with different values of the order parameter. This parameter is shown to have a leading role in the determination of the thermoelastic properties of h-BN, which explains and reconciles the differences between previous results.     

Structure phase transformation and equation of state of cerium metal under pressures up to 51 GPa

This study presents high pressure phase transitions and equation of states of cerium under pressures up to 51 GPa at room temperature. The angle-dispersive x-ray diffraction experiments are carried out using a high energy synchrotron x-ray source. The bulk moduli of high pressure phases of cerium are calculated using the Birch–Murnaghan equation. We discuss and correct several previous controversial conclusions, which are caused by the measurement accuracy or personal explanation. The c/a axial ratio of ε-Ce has a maximum value at about 29 GPa, i.e., c/a ≈ 1.690.     

热膨胀型固体物态方程

根据晶体热振动的非谐振效应,推导出了一种热膨胀形式的固体物态方程.与常用的Gr櫣ｎｅｉｓｅｎ物态方程相比,该热膨胀物态方程在理论上说明了极高压下等熵线族趋近于冷压线的事实,并可很好地连接固体高压与常压性质.介绍了该物态方程的理论,定义了新的热力学函数,并对如何采用冲击Hugoniot方程拟合热膨胀形式的固体物态方程进行了介绍 关键词： 物态方程 固体 高压 热膨胀     

Equation of state for solids considering cohesive energy and anharmonic effect and its application to MgO

A simple equation of state(EOS) in wide ranges of pressure and temperature is constructed within the MieGrneisen-Debye framework.Instead of the popular Birch-Murnaghan and Vinet EOS,we employ a five-parameter cold energy expression to represent the static EOS term,which can correctly produce cohesive energy without any spurious oscillations in the extreme compression and expansion regions.We developed a Pad’e approximation-based analytic Debye quasiharmonic model with high accuracy which improves the performance of EOS in the low temperature region.The anharmonic effect is taken into account by using a semi-empirical approach.Its reasonability is verified by the fact that the total thermal pressure tends to the lowest-order anharmonic expansion in the literature at low temperature,and tends to ideal-gas limitation at high temperature,which is physically correct.Besides,based on this approach,the anharmonic thermal pressure can be expressed in the Gru¨neisen form,which is convenient for applications.The proposed EOS is used to study the thermodynamic properties of MgO including static and shock compression conditions,and the results are very satisfactory as compared with the experimental data.     

160 GPa压力范围内重新标定的红宝石压标

 在同一理论框架内,基于冲击Hugoniot和热力学参数计算了Al、Cu、W、 Au、Pt、Ta、Ag、Mo、Ni、Co和Zn的300 K等温压缩线,并结合现有静高压实验数据,在160 GPa压力范围内重新标定了红宝石压标。所采用的两种红宝石压标形式的标定结果分别为A=1 923.4 GPa、B=9.75和m=1 889.0 GPa、n=5.48,两者具有非常好的自洽性,200 GPa压力范围内确定的压力偏差小于2.1 GPa。基于提出的红宝石压标,重新计算了3组Au等温压缩实验的加载压力。固定等温体模量为167 GPa,重算的实验数据拟合至Vinet物态方程所得等温体模量对压力的一阶偏导为5.95,与超声实验数据非常吻合。     

Equation of state for solids with considering cohesive energy and anharmonic effect and its application to MgO

A simple equation of state (EOS) in wide ranges of pressure and temperature is constructed within the Mie-Grüneisen-Debye framework. Instead of the popular Birch-Murnaghan and Vinet EOS, we employ a five-parameter cold energy expression to represent the static EOS term, which can correctly produce cohesive energy without any spurious oscillations in extreme compression and expansion region. We developed a Padé approximation-based analytic Debye quasiharmonic model with high accuracy which improves the performance of EOS in low temperature region. The anharmonic effect is taken into account by using a semi-empirical approach. Its reasonability is verified by the fact that the total thermal pressure tends to the lowest-order anharmonic expansion in the literature at low temperature, and tends to ideal-gas limitation at high temperature, which is physically correct. Besides, based on this approach, the anharmonic thermal pressure can be expressed in the Grüneisen form, which is convenient for applications. The proposed EOS is used to study the thermodynamic properties of MgO including static and shock compression conditions, and the results are very satisfactory as compared with the experimental data.     

在200 GPa冲击压强下铁是否会发生固-固相变？

 根据Grüneisen物态方程、Hugoniot内能守恒方程和最新发表的铁的热物理参数，计算了ε-(hcp)铁和液态铁的理论Hugoniot曲线。计算的Hugoniot曲线与最新修正的铁的实验数据[J Appl Phys, 2000, 88: 5496]在总体上符合很好，并且可以细分为两个部分：在约低于200 GPa的压强区，用ε-铁模型的计算结果与实验结果符合很好；在约高于260 GPa的压强区，用液态铁模型的计算结果与实验数据也符合得比较好；对介于200~260 GPa之间的压强区，则归属于由ε-铁向液态铁转变的混合相区。这意味着铁的Hugoniot曲线在约200 GPa处出现的微小偏折是由固-液相变引起的，从而否定了Brown [Geophy Res Lett, 2001, 28: 4339]提出的它是一次由ε-铁向另一个未知结构的某个固相铁的相转变的见解。     

Strength and equation of state of molybdenum triboride under 80 GPa pressure,using radial X-ray diffraction

The strength and equation of state of molybdenum triboride have been determined under nonhydrostatic compression up to 80?GPa, using an angle-dispersive radial X-ray diffraction technique in a diamond anvil cell (DAC). The RXD data yield a bulk modulus and its pressure derivative as K_0?=?342(6)?GPa with K₀′?=?2.11(17) at ψ?=?54.7°. Analysis of diffraction data using the strain theory indicates that the ratio of differential stress to shear modulus (t/G) ranges from 0.002 to 0.050 at pressures of 4–80?GPa. Together with theoretical results on the high pressure shear modulus, our results here show that molybdenum triboride sample under uniaxial compression can support a differential stress of ～10?GPa when it started to yield with plastic deformation at ～30?GPa. In addition, we draw a conclusion that MoB₃ is not a superhard material but a hard material.     

50 GPa下NiO等温状态方程的高压X光研究

 本文采用在位的（in situ）高压X光衍射方法研究了近50 GPa和室温下三方结构NiO的等温压缩行为，并用Murnaghan状态方程对实验值进行了最小二乘法拟合，得到的NiO室温状态方程的相应参量分别为：B₀=223 GPa，B₀'=4.21。在室温压力范围内没有观察到第一类结构相变。NiO在六方指标下的轴比c/a随压力的变化在实验压力范围内可用c/a=2.450~1.569×10^-3（GPa）近似描述。     

Thorium: Phase transformations and equation of state to 300 GPa

Abstract

Equation of state and phase transformations of thorium metal have been investigated to 300 GPa at 300 K in a diamond anvil cell using energy dispersive X-ray diffraction employing synchrotron source. Phase transformations in the 70–100 GPa range indicative of 5f-electron bonding are observed and thorium metal is isostructural with its 4f counterpart cerium at ultra high pressures. The measured static equation of state of thorium to 300GPa (volume fraction V/V _o = 0.40) at 300K is given. At high pressures, the sd to f electronic transfer has significant influence on the measured equation of state of thorium.     

Equation of state of solids from high-pressure isotherm

A new variant of the method of finding the equation of state in the Mie–Grüneisen form is presented. It is based only on high-pressure isotherms of solids. Using this procedure, the semiempirical equation of state and shock adiabats of solids may be found at high pressures and high temperatures. The method is tested on periclase MgO within the range of shock pressures up to 300–500 GPa.     

Pressure-volume relations for Zn,Cd, Ga,In and TI at room temperature to 30 GPa and above

Abstract

The elemental metals Zn, Cd, Ga, In and TI are studied by energy dispersive X-ray diffraction under pressures up to 30 GPa and above. Room temperature equation of state (EOS) data are derived and compared with results of earlier static and dynamic measurements at lower and higher pressures, respectively.     

Equation of state of turbostratic boron nitride

Abstract

The lattice parameters of turbostratic boron nitride (tBN) have been measured to 6.1 GPa at room temperature using energy-dispersive powder diffraction with synchrotron radiation. A fit to the experimental p-V data using Birch-Murnaghan equation of state gives values of the tBN bulk modulus 17.5(8) GPa and its pressure derivative ll.4(5). These values point to significantly higher compressibility of turbostratic BN as compared to three-dimensionally ordered graphite-like hexagonal and rhombohedral boron nitride.     

(Fe0.03Ni0.97)8(Si0.79P0.21)3的等温状态方程研究

 采用固态高温烧结反应方法,成功合成出了陨硅镍铁石样品(Fe_0.03Ni_0.97)₈(Si_0.79P_0.21)₃。X射线衍射结果表明,合成样品的结构为R3'c,对应的晶胞参数为a=b=0.663 8(1) nm,c=3.789 2(2) nm,V=1.446 15(6) nm³。在室温下,对样品进行原位高压X射线衍射研究,实验最高压力达到21.3 GPa,随着压力的升高,晶胞体积逐渐减小,但并没有观察到结构相变。利用Birch-Murnaghan状态方程对体积与压力的关系进行拟合,获得常温常压下的体积V₀=1.441 4(24) nm³,体积模量K₀=220(7) GPa。晶轴与压力的关系利用Murnaghan状态方程拟合,获得a轴和c轴的模量分别为K_a=257(9)和K_c=165(4),c轴较a轴容易压缩。     

BaCuO2.5在高压下的状态方程与电学性质

 在活塞-圆筒式高压装置上研究了BaCuO_2.5在4.5 GPa内的p-V关系,给出了其状态方程、Grüneisen参数γ₀、零压体弹模量B₀以及B₀的压力导数B′₀。并在金刚石压砧装置（DAC）上测量了样品的电阻、电容随压力变化的关系,结果表明在0~20 GPa内没有发生相变。     

Equation of state of fluid helium at high temperatures and densities

Hugoniot curves and shock temperatures of gas helium with initial temperature 293 K and three initial pressures 0.6, 1.2, and 5.0 MPa were measured up to 15000 K using a two-stage light-gas gun and transient radiation pyrometer. It was found that the calculated Hugoniot EOS of gas helium at the same initial pressure using Saha equation with Debye-Hückel correction was in good agreement with the experimental data. The curve of the calculated shock wave velocity with the particle velocity of gas helium which is shocked from the initial pressure 5 MPa and temperature 293 K, i.e., theD ≈u relation,D=C ₀+λu (u<10 km/s, λ=1.32) in a low pressure region, is approximately parallel with the fittedD ≈u (λ=1.36) of liquid helium from the experimental data of Nellis et al. Our calculations show that the Hugoniot parameter λ is independent of the initial density p{in0}. TheD≈u curves of gas helium will transfer to another one and approach a limiting value of compression when their temperature elevates to about 18000 K and the ionization degree of the shocked gas helium reaches 10⁻³.     

200 GPa压力范围内铝和铜的等熵压缩线计算

 将冲击Hugoniot线作为Grüneisen物态方程的参考线,以冲击的初始状态为参考状态,推导得到线性和二次曲线表示的冲击绝热线所对应的等熵压缩线方程,计算了200 GPa压力范围内铝和铜两种材料的等熵压缩线,并且计算了以Hugoniot关系为基础的Appy经验物态方程导出的等熵压缩线。计算结果表明,以Appy经验物态方程导出的等熵压缩线与以线性冲击绝热线导出的等熵压缩线接近,在200 GPa压力范围内两者相差不到1.5%。将计算得到的铝的等熵压缩线与美国Sandia实验室ICE实验Z864数据进行了比较,由线性Hugoniot得到的等熵压缩线与实验数据相差不到1%,由Appy经验物态方程得到的等熵线与实验数据几乎重合,说明在200 GPa压力范围内,以Appy物态方程和以线性Hugoniot为参考来计算的等熵压缩线有较高的精度。