Cu3Au薄膜中的[001]方向反相畴界

采用Ｍｏｎｔｅ Ｃａｒｌｏ 方法对Ｃｕ３Ａｕ 合金薄膜系统的有序—无序转变过程进行了计算机模拟。计算结果表明反相畴界的薄膜系统中的性质与在体材料中的不同。［００１］方向反相畴界的类型取决于薄膜系统的层数的奇偶性。当薄膜系统的原子层数为偶数时，薄膜中只出现非保守性的反相畴界，而当薄膜系统的原子层数为奇数时，薄膜中只出现保守性的反相畴界或不出现反相畴界。与体材料相同，在非保守性的反相畴界处发现了浸润现象。

[001] antiphase boundaries in Cu3Au film

The order disorder transition of the Cu 3Au film system is simulated by the Monte Carlo method. The computational results show that the antiphase boundaries in the film have different properties with antiphase boundaries in the bulk. The kind of 001] antiphase boundaries in the film is determined by the parity of the layer number of the film. For even layer number film, only the non conservative antiphase boundaries appear in the film; for the odd layer number film, only conservative antiphase boundaries may appear. Like the situation in the bulk materials, the simulation indicates that only the non conservative antiphase boundary wet.