Phase field simulation of interatomic potentials for double phase competition during early stage precipitation  

作　　者：DONG WeiPing WANG YongXin YANG Kun CHEN Zheng LU YanLi 

机构地区：[1]State Key Laboratory of Solidification Processing, Northwestern Polytechnical University, Xi'an 710072, China

出　　处：《Chinese Science Bulletin》2011年第19期2055-2060,共6页

基　　金：supported by the National Natural Science Foundation of China (10902086, 51075335 and 50875217);the Basic Research Fund of the Northwestern Polytechnical University (JC201005);the Doctoral Foundation of Northwestern Polytechnical University

摘　　要：Phase field model was employed to study the variations of interatomic potentials of Ni 3 Al (L1 2 phase) and Ni 3 V (DO 22 phase) as a function of temperature and concentration. The long-range order (LRO) parameter related interatomic potentials equations formulated by Khachaturyan were utilized to establish the inversion equations for L1 2 and DO 22 phases, with which interatomic potentials could be calculated. The interatomic potentials of Ni-Al and Ni-V exhibited approximately linear increases and decreases, individually, with enhanced Al concentration. Substituting the inverted interatomic potentials into the microscopic phase field equations led to three cases of precipitation sequence: the DO 22 phase preceded L1 2 phase precipitating at the interatomic potentials of Ni-V > Ni-Al; the vice cases; and two phases precipitated simultaneously at interatomic potentials of Ni-V and Ni-Al were equal.Phase field model was employed to study the variations of interatomic potentials of Ni3Al （L12 phase） and Ni3V （DO22 phase） as a function of temperature and concentration. The long-range order （LRO） parameter related interatomic potentials equations formulated by Khachaturyan were utilized to establish the inversion equations for L12 and DO22 phases, with which interatomic potentials could be calculated. The interatomic potentials of Ni-Al and Ni-V exhibited approximately linear increases and decreases, individually, with enhanced Al concentration. Substituting the inverted interatomic potentials into the microscopic phase field equations led to three cases of precipitation sequence： the DO22 phase preceded L12 phase precipitating at the interatomic potentials of Ni-V 〉 Ni-Al; the vice cases; and two phases precipitated simultaneously at interatomic potentials of Ni-V and Ni-Al were equal.

关 键 词：原子间 沉淀 场模拟 竞争 反演方程 NI3AL 相场模型 长程有序 

分 类 号：O562[理学—原子与分子物理]