The molecular dynamics method is employed to simulate mono-vacancy and divacancy in the ordered intermetallic compound Cu3Au with L12 structure using Finnis-Sinclair type many-body potentials.

• 采用Finnis-Sinclair类型的多体势模型；用分子动力学方法对L1_2 型有序金属间化合物Cu_3Au中的单、双空位进行了计算机模拟研究.