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

• 来源期刊: 科学通报(英文版)
• 学科: 物理学
• 年，卷（期）: 2011,（19）
• 页码范围: 2057-2062
• 页数: 6页
• 分类号: O562
• 语种: 中文

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.