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

作　　者：Lei Zhang Long-Qing Chen Qiang Du 

机构地区：[1]Department of Mathematics,Penn State University,PA 16802,USA [2]Department of Materials Science and Engineering,Penn State University,PA 16802,USA

出　　处：《Communications in Computational Physics》2010年第4期674-682,共9页计算物理通讯（英文）

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).

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.

关 键 词：Phase field diffuse interface NUCLEATION critical nucleus constrained string method ELASTICITY 

分 类 号：TG1[金属学及工艺—金属学]