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...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.展开更多
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).
文摘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.
