Cu,Ag,Au多晶原子位能函数线性热膨胀和体弹性模量计算

Potential Function and Calculation of Linear Thermal Expansion and Bulk Modulus of Cu,Ag,Au

在文献〔1〕的基础上,结合等效价电子假设,给出了Cu,Ag,Au的多晶原子位能函数。应用玻耳兹曼统计理论及Born的晶格动力学理论在较宽的温度范围内,计算了Cu,Ag,Au多晶的线性热膨胀,在0～800K内计算了这三种晶体的体弹性模量,计算结果与实验值符合得较好。

In this papers, the potential function of Cu, Ag, Au is presented,and valves of linear thermal expansion and bulk modulus for these crystals are calculated by applying Boltzmann distribution and Born's dynamical theory of crystal lattice respectively, and within 0～T_m and 0～800K, the results calculated are in good agreement with the experimental values.