摘要
采用分子动力学方法对快凝过程中Mg_(98)Cu_(2)合金5种不同冷速下微结构演变进行了模拟研究.并采用原子团簇类型指数法(CTIM-3)以及扩展团簇等方法系统地讨论了快速凝固过程中微观结构的演变过程.经过分析发现,凝固过程中体系主要以高配位数12、13和14 Kasper团簇数目为主.最后利用扩展团簇分析了MRO变化,表明IS联结是MRO的主要联接方式,高冷速有利于高配位12、13、14团簇IMRO的形成.
A molecular dynamics approach is used to simulate the microstructure evolution of Mg_(98)Cu_(2) alloy during rapid solidification at five different cooling rates.The microstructure evolution during solidification is systematically investigated by using atomic cluster type index method(CTIM-3),and extended clusters.After analysis,it is found that the system is mainly dominated by the number of high coordination numbers 12,13,and 14 Kasper clusters during solidification.Finally,the mid-program MRO changes are analyzed by using extended clusters.IS linkage is the main association mode of MRO and high cooling rate is favorable to the formation of program IMRO in high coordination number 12,13,and 14 clusters.
作者
刘涛
邓永和
文大东
高明
谭恒博
赵鹤平
LIU Tao;DENG Yonghe;WEN Dadong;GAO Ming;TAN Hengbo;ZHAO Heping(College of Physics and Mechatronics Engineering,Jishou University,Jishou 416000,China;College of Computing Science and Electronics,Xiangtan 411104,China;College of Informaton Technology and Management,Hunan Institute of Finance and Economics,Changsha 410205,China)
出处
《湖南工程学院学报（自然科学版）》
2022年第3期36-43,共8页
Journal of Hunan Institute of Engineering(Natural Science Edition)
基金
国家重点研发计划项目(2018YFB0704001)。
关键词
分子动力学模拟
不同冷速
团簇
中程序
molecular dynamics simulation
different cold rates
heredity
MRO
