考虑热效应的Vinet状态方程及其应用

 基于爱因斯坦模型将Vinet等人提出的关于金属固体的通用物态方程推广到包括热效应。采用最近邻普遍化Lennard-Jones势描述金属离子之间的有效配对相互作用，将每个离子的势能展开为离子位移的二阶泰勒级数，从而推导出爱因斯坦温度和Grüneisen常数的解析表达式，该表达式只与体积有关而与温度无关。推广方程包括的7个参数只有5个是独立的，在高于德拜温度时，只需要4个参数。对典型金属及两种非金属材料计算的结果与实验符合得很好。

Thermal Vinet Equation of State and Its Applications

Based on the Einstein model,the universal equation of state for solids proposed by Vinet et al.is extended to include the thermal effect.Employing the nearest neighbor generalized Lennard-Jones potential to describe the effective interaction between the ions,the lattice part of potential energy per atom is expanded as quadratic function of displacement of ion to derive the Einstein temperature and Debye-Grüneisen parameter as a function of the volume.The theory contains four potential parameters except for the three parameters in the Vinet EOS,but only five of them are independent,and as the temperature being higher than the Debye temperature,the number of independent parameter can be further reduced to four.The theory is applied for 23 metallic solids,to predict Debye-Grüneisen parameters and compressibility coefficients at chamber temperature.The predicted results are in good agreement with the experimental data.The predicted variation of compressibility and thermal expansivity coefficients with temperature for gold,copper,xenon and sodium chloride also are in good agreement with the experimental data.