合金化元素对<strong>W-Cu</strong>体系多类界面特征影响的第一性原理计算

合金化元素对W-Cu体系多类界面特征影响的第一性原理计算

盖逸冰, 唐法威, 侯超, 吕皓, 宋晓艳

First-Principles Calculation on the Influence of Alloying Elements on Interfacial Features of W-Cu System

GAI Yibing, TANG Fawei, HOU Chao, LU Hao, SONG Xiaoyan

表2 W-Cu体系中合金化元素性质

Table 2 Properties of alloying elements in W-Cu system

Element	E_W/Cu/ eV	E_W/ eV	E_Cu/ eV	E_form/ eV
Sc	-0.68	-0.84	-1.15	-0.26
Ti	-0.37	0.09	-0.67	0.21
Y	-0.82	-2.17	-1.79	0.89
In	-0.82	-1.46	-0.80	0.53