Simultaneous Prediction of Morphologies of a Critical Nucleus and an Equilibrium Precipitate in Solids

作     者：Lei Zhang Long-Qing Chen Qiang Du 

作者机构：Department of MathematicsPenn State UniversityPA 16802USA Department of Materials Science and EngineeringPenn State UniversityPA 16802USA 

出 版 物：《Communications in Computational Physics》 (计算物理通讯（英文）)

年 卷 期：2010年第7卷第4期

页      面：674-682页

核心收录：

学科分类：08[工学] 080502[工学-材料学] 0805[工学-材料科学与工程（可授工学、理学学位）] 0704[理学-天文学] 0702[理学-物理学] 

基　　金：This research is supported in part by NSF-DMS 0712744 NSF DMR-0710483 and NSF-IIP 541674 Center for Computational Materials Design(CCMD) 

主　　题：Phase field diffuse interface nucleation critical nucleus constrained string method elasticity 

摘      要：We investigate the critical nucleus and equilibrium morphologies duringprecipitation of a second-phase particle in a solid. We show that a combination ofdiffuse-interface description and a constrained string method is able to predict boththe critical nucleus and equilibrium precipitate morphologies simultaneously without a priori assumptions. Using the cubic to cubic transformation as an example, it isdemonstrated that the maximum composition within a critical nucleus can be eitherhigher or lower than that of equilibrium precipitate while the morphology of an equilibrium precipitate may exhibit lower symmetry than the critical nucleus resulted fromelastic interactions.