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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。
Monte Carlo method was used to simulate the order-disorder transition of Cu3Au alloy thin film system. The calculated results show that the nature of the antiphase boundary thin film system is different from that of in bulk materials. The type of [001] directional inversion boundaries depends on the parity of the number of layers in the thin film system. When the atomic number of the thin film system is an even number, only non-conservative anti-phase boundaries appear in the thin film, whereas when the atomic number of the thin film system is an odd number, only conservative anti-phase boundaries appear or do not appear in the thin film system Inverse domain. In the same way as the bulk material, the infiltration is found at the non-conservative inversion boundaries.