Microscopic phase-field simulation of ordered domain interfaces formed between DO_(22) phases along [100] direction  

作　　者：张明义 陈铮 王永欣 卢艳丽 张利鹏 赵彦 

机构地区：[1]School of Materials Science and Engineering, Northwestern Polytechnical University [2]State Key Laboratory of Solidification Processing, Northwestern Polytechnical University

出　　处：《中国有色金属学会会刊：英文版》2009年第3期686-693,共8页Transactions of Nonferrous Metals Society of China

基　　金：Projects(50671084, 50875217) supported by the National Natural Science Foundation of China;Projects(2003E106, SJ08-ZT05) supported by the Natural Science Foundation of Shaanxi Province, China;Project(20070420218) supported by China Postdoctoral Science Foundation

摘　　要：Ordered domain interfaces formed between DO22 (Ni3V) phases along [100] direction during the precipitation process of Ni75AlxV25-x alloys were simulated by using the microscopic phase-field model. The atomic structure, migration process, and compositions of interfaces were investigated. It is found that there are four kinds of stable ordered domain interfaces formed between DO22 phases along [100] direction and all of them can migrate. During the migration of interfaces, the jump of atoms shows site selectivity behaviors and each stable interface forms a distinctive transition interface. The atom jump selects the optimist way to induce the migration of interface, and the atomic structures of interfaces retain the same before and after the migration. The alloy elements have different preferences of segregation or depletion at different interfaces. At all the four kinds of interfaces, Ni and Al segregate but V depletes. The degrees of segregation and depletion are also different at different interfaces.Ordered domain interfaces formed between DO22 （Ni3V） phases along [100] direction during the precipitation process of Ni75AlxV25-x alloys were simulated by using the microscopic phase-field model. The atomic structure, migration process, and compositions of interfaces were investigated. It is found that there are four kinds of stable ordered domain interfaces formed between DO22 phases along [100] direction and all of them can migrate. During the migration of interfaces, the jump of atoms shows site selectivity behaviors and each stable interface forms a distinctive transition interface. The atom jump selects the optimist way to induce the migration of interface, and the atomic structures of interfaces retain the same before and after the migration. The alloy elements have different preferences of segregation or depletion at different interfaces. At all the four kinds of interfaces, Ni and AI segregate but V depletes. The degrees of segregation and depletion are also different at different interfaces.

关 键 词：微观相场模型 模拟接口 界面形成 原子结构 排列 迁移过程 合金元素 选择性行为 

分 类 号：TG111[金属学及工艺—物理冶金]