共查询到18条相似文献,搜索用时 140 毫秒
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基于密度泛函理论平面波赝势法的第一性原理计算,研究了过渡金属锇在高压下的状态方程、弹性常数和其它力学性质。 计算结果表明:过渡金属锇具有很高的体积模量B0(423.9 GPa)和弹性常数C11(771.3 GPa)与C33(852.0 GPa),与金刚石的(B0=452.8 GPa,C11=C33=1 082.9 GPa)比较,具有超低压缩特性;表征材料抵抗剪切变形能力的弹性常数C44(269.8 GPa)和切变模量(276.8 GPa)只有金刚石的(C44=586.9 GPa,G=537.5 GPa)一半,而所成的又是纯金属键,因此锇不具有超硬性。最后,定性分析了它的高体积模量和低硬度的微观电子机制,这对于设计与合成新的超硬性材料具有启发意义。 相似文献
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利用X射线粉末衍射方法,在室温高压下观察到了Hg1-xCdxTe(x=0.19)的相变。实验是在DAC高压装置上完成的,压力从0逐步加至10.1 GPa。在常温常压下Hg1-xCdxTe(x=0.19)具有闪锌矿结构。从实验结果看到,在压力为3 GPa和6.8~8.3 GPa之间有两个结构相变存在。初步认为,后一个相变与Hg1-xCdxTe(x=0.19)的金属化有密切关系。通过计算,得到了它在相变前的状态方程,并且与二元HgTe化合物在相变规律上进行了比较。 相似文献
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用欧拉有限应变理论分析了埃洛石的冲击Hugoniot实验数据,得到了其低压相和高压相的等熵体积模量K0S及其对压力的一阶导数K′0S。对低压相,在γ=0.43(ρ0/ρ)时,K0S=32.16 GPa,K′0S=7.17;对高压相,在γ=1.0(ρ0/ρ)1.5、且相变能各取579.1 J/g(常压下的值)和1 000 J/g时,K0S、K′0S分别为103.28 GPa 、4.97和95.85 GPa、5.35。根据高压下物性参数的跃变,讨论并分析了其各个相区物质组成的差异。 相似文献
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本文根据相图的边界理论和平衡体系中诸组元在各相中化学势相等的原理,计算了Cd-Sn-Zn三元共晶系的高压水平截面图。依据所得结果绘制出该三元系在一定温度下(500 K)不同压强时的固液平衡水平截面图,并绘制出液相面投影图。计算过程中对各组元的偏摩尔体积虽作了一些近似,但计算结果仍与文献值符合。从计算结果可知,对于该三元系来说,压强增加使体系液相区变窄。 相似文献
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本文使用固态氩做传压介质,在自制的Mao-Bell型金刚石对顶砧装置中获得了90 GPa的准静水压。通过测量样品室内不同位置上红宝石荧光R1线的频移来确定压力分布。实验结果表明在80 GPa以下,样品室内不同位置上的压力与平均压力(p)的差Δp很小,最大的Δp/p不超过1.5%。在90 GPa时,红宝石的荧光R线与常压的很相似。这表明利用固态氩做传压介质可以获得接近100 GPa的准静水压。此外,对红宝石荧光光谱中位置在14 938 cm-1和14 431 cm-1两条谱线随压力的变化情况也作了讨论,并由此得出结论,14 938 cm-1这条线也可用来标定压力。 相似文献
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在金刚石压砧装置上,采用电阻和电容测量方法研究了Cd1-xZnxTe(x=0.04)在室温下、17 GPa内的电阻、电容与压力的关系。实验结果表明,它在3.1 GPa左右和5 GPa左右发生了两次电子结构相变,而在3.1 GPa以上和5.7 GPa左右发生了两次晶体结构相变。同时,还在活塞-圆筒测量装置上研究了Cd1-xZnxTe(x=0.04)在室温下、4.5 GPa内的p-V关系。实验结果表明它在3.8 GPa左右发生了相变。本工作还给出了它在相变前后的状态方程,以及它的Grüneisen参数γ0、体弹模量B0 与B0 的压力导数B0′。 相似文献
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Abstract The p-T phase diagrams of AgCl and AgBr have been evaluated in the pressure range up to 5 GPa and the temperature range 0 to 800°C using the GeO-CalC computer program and compared to the earlier determined phase diagram of AgI. The phase diagrams were calculated using available thermodynamic data and compared to experimentally determined ones. The results of these comparisons were used to check the internal consistency of the data and to determine unknown quantities. 相似文献
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Jianzhong Zhang Yusheng Zhao Jiang Qian Paulo A. Rigg Carl W. Greeff Yunpeng Yang Yanbin Wang 《Journal of Physics and Chemistry of Solids》2005,66(7):1213-1219
The phase diagram of zirconium metal has been studied using synchrotron X-ray diffraction and time-of-flight neutron scattering at temperatures and pressures up to 1273 K and 17 GPa. The equilibrium phase boundary of the α-ω transition has a dT/dP slope of 473 K/GPa, and the extrapolated transition pressure at ambient temperature is located at 3.4 GPa. For the ω-β transition, the phase boundary has a negative dT/dP slope of 15.5 K/GPa between 6.4 and 15.3 GPa, which is substantially smaller than a previously reported value of −39±5 K/GPa in the pressure range of 32-35 GPa. This difference indicates a significant curvature of the phase boundary between 15.3 and 35 GPa. The α-ω-β triple point was estimated to be at 4.9 GPa and 953 K, which is comparable to previous results obtained from a differential thermal analysis. Except for the three known crystalline forms, the β phase of zirconium metal was found to possess an extraordinary glass forming ability at pressures between 6.4 and 8.6 GPa. This transformation leads to a limited stability field for the β phase in the pressure range of 6-16 GPa and to complications of high-temperature portion of phase diagram for zirconium metal. 相似文献
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A. I. Orlov L. G. Khvostantsev E. L. Gromnitskaya O. V. Stal’gorova 《Journal of Experimental and Theoretical Physics》2001,93(2):393-396
The pressure dependences of the electrical resistance and thermal electromotive force of lithium were measured at room temperature. The results substantiated the occurrence of a phase transition caused by increasing pressure (6.7 GPa). A phase transition was detected when pressure was decreased (6.4 GPa). Temperature effects on the pressures of these transitions were studied near room temperature. At pressures above 4 GPa, the pressure dependences of thermal electromotive force and of the velocity of ultrasonic shear waves in BCC lithium exhibited anomalies. The suggestion was made that applying pressure increased the role played by electron-phonon and phonon-phonon interactions in lithium. 相似文献