Simultaneous prediction of morphologies of a critical nucleus and an equilibrium precipitate in solids

Lei Zhang, Long Qing Chen, Qiang Du

Research output: Contribution to journalArticlepeer-review

21 Scopus citations

Abstract

We investigate the critical nucleus and equilibrium morphologies during precipitation of a second-phase particle in a solid. We show that a combination of diffuse-interface description and a constrained string method is able to predict both the critical nucleus and equilibrium precipitate morphologies simultaneously without a priori assumptions. Using the cubic to cubic transformation as an example, it is demonstrated that the maximum composition within a critical nucleus can be either higher or lower than that of equilibrium precipitate while the morphology of an equilibrium precipitatemay exhibit lower symmetry than the critical nucleus resulted from elastic interactions.

Original languageEnglish (US)
Pages (from-to)674-682
Number of pages9
JournalCommunications in Computational Physics
Volume7
Issue number4
DOIs
StatePublished - Apr 2010

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy (miscellaneous)

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