运用蒙特卡罗方法计算模拟加入微合金元素Si,Sc和Zr的Al-Cu合金时效初期微结构的演化过程,分析微结构演化过程中溶质原子偏聚的特征及其与空位的相互作用,讨论Si,Sc,Zi与空位复合体的尺寸及空位周围原子的概率分布。结果表明,Sc原子与空位之间存在较强的相互吸引作用,使得合金中空位的可动性降低,Cu原子赖以扩散的空位急剧减少,从而导致Cu原子簇丛聚程度大幅度降低;微量的Si使Al-Cu-(Si)合金中的空位明显减少,而且Sc与空位的强烈相互作用也使得空位团簇化加剧。
The Monte-Carlo method was applied to simulate the effect of Si, Sc and Zr on microstructural evolution of Al-Cu alloy. The character of solute atoms segregating in microstructure evolution and solute acting with vacancy were analyzed; the Si, Sc and Zr atoms interaction with vacancy composite and the possibility of vacancy with atoms surrounding were discussed, and the mechanism of vacancy exerting were revealed.