立方晶体弹性常数和EAM/FS势函数的关系

段灵杰,刘永长

Relationships Between Elastic Constants and EAM/FS Potential Functions for Cubic Crystals

Lingjie DUAN,Yongchang LIU

表4 3种典型fcc结构晶体的势参数的拟合值

Table 4 Fitted values of potential parameters for the three typical fcc structure crystals

Crystal c d A c0 c1 c2 ER Cu 4.0205 4.0186 0.75371 2.1130 -1.4471 0.25140 0.001806 γ-Fe 3.9921 3.9972 0.71778 3.1839 -2.3086 0.41589 0.002837 Ni 3.9107 3.9166 0.76407 3.6419 -2.7079 0.50041 0.013935