Monte Carlo模擬
(北京工業(yè)大學(xué) 材料科學(xué)與工程學(xué)院，北京 100124)
摘 要: 采用Monte Carlo方法模擬研究Al-6Zn-(2Mg)和Al-10Zn-1.9Mg-(1.7Cu)合金時效初期微觀結(jié)構(gòu)的演變過程，并分析Mg和Cu的基本作用。結(jié)果表明：時效初期，Al-6Zn合金中的Zn原子有較強(qiáng)的團(tuán)聚傾向，形成了明顯的Zn原子簇；而在Al-6Zn-2Mg合金中出現(xiàn)明顯的Zn原子簇、Zn-Mg原子簇及少量的Mg原子簇。Mg的作用是通過Mg和Zn原子間強(qiáng)烈的相互作用形成Zn、Mg原子交替排布的短程有序結(jié)構(gòu)。含銅的Al-10Zn- 1.9Mg-1.7Cu合金中，不僅形成了Zn原子簇、Mg原子簇和Zn-Mg原子簇，還形成了少量Zn-Cu原子簇、Mg-Cu原子簇和Zn-Mg-Cu原子簇。Cu的存在促進(jìn)Zn原子和Zn-Mg原子團(tuán)簇化，但對Mg原子的團(tuán)簇化影響不大。
關(guān)鍵字: Al-Zn-Mg合金；Monte Carlo方法；時效初期
（College of Materials Science and Engineering, Beijing University of Technology, Beijing 100124, China）
Abstract:The Monte Carlo method was applied to simulate the microstructural evolution of Al-6Zn-(2Mg) and Al-10Zn-1.9Mg-(1.7Cu) alloys during the initial ageing stage, and the effect of Mg and Cu was analyzed. The simulation results show that there are Zn clusters in Al-6Zn alloy during the initial ageing stage. while in Al-6Zn-2Mg alloy, there are distinct Zn clusters, Zn-Mg clusters and a spot of Mg clusters in the atom configurations. The effect of Mg is forming Zn-Mg short range order structure by strong interaction of Mg and Zn atom. In Al-10Zn-1.9Mg-1.7Cu alloy, there are distinct Zn clusters, Zn-Mg clusters and Mg clusters in the atom configurations. Furthermore, there are seldom Zn-Cu clusters, Mg-Cu clusters and Zn-Mg-Cu clusters. The presence of Cu stimulates the clustering of Zn and Zn-Mg, while has no significant influence on the clustering of Mg atom.
Key words: Al-Zn-Mg alloys; Monte Carlo method; initial ageing stage
