Ag-Cu合金微结构演化与玻璃形成能力研究  

Study of Glass Formation Ability and Evolution of Microstructure of Ag-Cu Alloy

作　　者：谭恒博 戚双祥 陈贝 高明 文大东 刘涛 邓永和[1] TAN Hengbo;QI Shuangxiang;CHEN Bei;GAO Ming;WEN Dadong;LIU Tao;DENG Yonghe(School of Computational Science and Electronics,Hunan Institute of Engineering,Xiangtan,Hunan 411104,China;Ningbo Dongda Shenle Electrical Alloy CO.,LTD,Ningbo,Zhejiang 315506,China;School of Physics and Mechanical&Electrical Engineering,Jishou University,Jishou,Hunan 416000,China)

机构地区：[1]湖南工程学院计算科学与电子学院,湖南湘潭411104 [2]宁波东大神乐电工合金有限公司,浙江宁波315506 [3]吉首大学物理与机电工程学院,湖南吉首416000

出　　处：《计算物理》2025年第1期90-97,共8页Chinese Journal of Computational Physics

基　　金：湖南省自然科学基金(2021JJ50115,2021JJ30179);湖南省教育厅科学研究项目(22A0522);湖南省研究生创新项目(CX20221118)资助。

摘　　要：采用分子动力学方法模拟研究液态Ag-Cu合金在不同溶质浓度下快凝过程,并通过双体分布函数、Honeycutt-Andersen键型指数和扩展团簇类型指数法(CTIM)对其微结构演化特性进行分析。结果表明:Ag-Cu快凝玻璃合金的主要键型为1551键,有明显的局域5次对称性,主要原子组态以正则二十面体团簇(1212/1551)为主,Ag_(60)Cu_(40)的遗传分数最高,玻璃形成能力最强。The rapid solidification process of liquid Ag-Cu alloy at different solute concentrations are simulated by molecular dynamics method.The microstructure evolution characteristic of Ag-Cu alloy is analyzed by two-body distribution function,Honeycutt-Andersen bond type index and extended cluster type index method(CTIM).The results show that the main bond type of Ag-Cu quick setting glass alloy is 1551,and the local quintic symmetry are obvious.The main atomic configuration is icosahedral clusters,in which the regular icosahedral cluster(1212/1551)is dominant.The highest heritable fraction f of Ag-Cu corresponds to the transition temperature of reduced glass,which proves that Ag_(60)Cu_(40) has the best amorphous forming ability.

关 键 词：AG-CU合金 微结构 演化 遗传分数 玻璃形成能力 

分 类 号：O469[理学—凝聚态物理]