不同冷速和压力下AgCu合金团簇结构遗传分析与结构特征  

Heredity Analysis and Cluster Structure Charateristics of AgCu Alloy at Different Cooling Rates and Pressures

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

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

出　　处：《湖南工程学院学报（自然科学版）》2022年第2期59-65,共7页Journal of Hunan Institute of Engineering(Natural Science Edition)

基　　金：湖南省自然科学基金资助项目(2018JJ3100).

摘　　要：采用分子动力学方法模拟研究了液态Ag_(60)Cu_(40)合金在不同冷速与压力下的快速凝固过程,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)对其微结构演变特性进行了分析.结果表明:Ag_(60)Cu_(40)快凝玻璃合金的主要存在键型为1551键,局域五次对称性明显.主要原子组态是二十面体团簇,其中以正则二十面体团簇(12 12/1551)为主.约化玻璃转变温度随着冷速与压强的增加而增加,遗传跟踪发现冷速与压强能够显著提高二十面体团簇的遗传分数和起始遗传温度,增强了Ag_(60)Cu_(40)合金的玻璃形成能力.By using the molecular dynamics method,the rapid solidification process of liquid Ag_(60)Cu_(40)alloy under different cooling rates and pressures is simulated.In addition,the evolution of the microstructure of the liquid Ag_(60)Cu_(40)alloy is analyzed by adopting the two-body distribution function,Honeycutt-Andersen bond type index and extended cluster type index method(CTIM).The results show that the primary bond type present in the Ag_(60)Cu_(40)fast-solidifying glass alloy is a 1551 bond,and it has an apparent localized five times symmetry.The primary atomic configuration of the liquid Ag_(60)Cu_(40)alloy is icosahedral clusters,in which the canonical icosahedral clusters(1212/1551)are predominant.The transition temperature of the reduced glass increases with the increase of the cooling rates and pressure.Using genetic tracking,the genetic fraction and the onset genetic temperature of the icosahedral clusters significantly increase with the cooling rate and pressure,Which enhances the glass formation ability of Ag_(60)Cu_(40)alloy.

关 键 词：Ag_(60)Cu_(40)合金 冷速 压强 团簇 遗传 

分 类 号：O469[理学—凝聚态物理]