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3 3种典型fcc结构晶体的实验数据(弹性常数的量纲为10¹¹ Pa)^[17,31]

Table 3 Experimental data for the three typical fcc structure crystals (elastic constants with dimension 10¹¹ Pa)^[17,31]

Crystal	a / nm	u_tot / eV	B	C₄₄	C_p
Cu	0.3615	-3.54	1.420	0.818	0.257
γ-Fe	0.3591	-4.29	1.670	1.170	0.475
Ni	0.3518	-4.45	1.876	1.317	0.552