液态金属铝的结构转变模拟研究  

A Simulation Study on Structure Transition of Liquid Metal

作　　者：易双萍[1] 刘让苏[2] 郑采星[2] 

机构地区：[1]广东工业大学物理系,广州610643 [2]湖南大学物理系,长沙410082

出　　处：《电子科技大学学报》2001年第2期206-208,共3页Journal of University of Electronic Science and Technology of China

基　　金：国家自然科学基金资助项目!编号: 59871016

摘　　要：采用分子动力学方法对液态金属Al的凝固过程中微观结构转变特性进行了模拟研究。发现在 943～50 K 的温度区间凝固过程中, 与二十面体结构相关的1551键型数目的变化最为显著, 对系统结构组态的变化起关键作用。结果表明：随着温度降低，系统有序度增加，无序度下降。A simulation study on the transition properties of microstructures in the solidification process of liquid metal Al is performed using the molecular dynamics method. It is found that in the range of temperature of 943～50 K, the relative numbers of 1551 bonds related to the icosahedral structure increase remarkably, which play a critical role in the variation of structural configurations during the rapid cooling process. It is also demonstrated that with the decrease of temperature, the degree of the order of the system increases, while, the degree of disorder of the system decreases.

关 键 词：液态金属 结构转变 计算机模拟 分子动力学 铝 

分 类 号：TG146.21[一般工业技术—材料科学与工程]