合金团簇的径向分布函数分析  

The Analysis of the Radial Distribution Function of Alloy Cluster

作　　者：洪海莲[1] 颜慧贤[1] 马豪 郑飞杰[1] 付莹 HONG Hai-lian;YAN Hui-xian;MA Hao;ZHENG Fei-jie;FU Ying(School of Mechanical and Electrical Engineering,Sanming University,Sanming 365004,China;College of Engineering,Bohai University,Jinzhou 121013,China)

机构地区：[1]三明学院机电工程学院,福建三明365004 [2]渤海大学工学院,辽宁锦州121013

出　　处：《三明学院学报》2019年第6期16-20,共5页Journal of Sanming University

基　　金：国家自然基金青年基金(51601104,51704029);福建省自然科学基金(2016J01742)

摘　　要：合金的成分设计必然依托合金的稳定结构,团簇是合金中最稳定的近邻原子结构,团簇的堆垛方式和稳定性的研究对合金的性能至关重要,在分析了团簇的径向分布函数和对称性的基础上,当连接原子为0~6时,得到对应比例下的相对稳定的模型,再从团簇的径向分布函数得出密堆度比较大的模型,这种方法较团簇的对称性进行比较,两者一致,在19种模型中最佳模型分别为1-0、1-1、1-3-1和1-6-4模型,这些模型的团簇稳定性反映了固溶体近程有序本质结构。The composition design of the alloys must rely on the stable structure of the alloy, and the cluster is the most stable nearest neighbor atomic structure in alloys. The research on the stacking mode and stability of the cluster is very important for the performance of the alloy. Based on the analysis of the radial distribution function and symmetry of the cluster,when the glue atom is 2-6, the relatively stable model under the corresponding glue atoms is obtained by the radial distribution of the cluster. Compared with their symmetry, the two methods are consistent with each other, which reflects the nature of short-range ordered structure of solid solution.

关 键 词：近程有序结构 团簇加连接原子模型 合金成分模型 固溶体合金 

分 类 号：TG131[一般工业技术—材料科学与工程]