[求助] 第一性原理计算氢在合金中的溶解度、扩散系数！已有1人参与

8楼: Originally posted by valenhou001 at 2016-09-07 19:55:00
该文献已经将公式里各项的含义讲得很清楚了，而且告诉了如何去计算它们。
D_E(\nu_H2) is the classical dissociation energy (vibrational frequency) of gaseous H2, I is the molecular moment of inertia, m i ...

4楼: Originally posted by valenhou001 at 2016-09-07 12:24:56
当你贴公式，最好公式的出处和文献。