Phase field model of deformation twinning in tantalum: Parameterization via molecular dynamics

Yijia Gu, Long Qing Chen, Tae Wook Heo, Luis Sandoval, James Belak

Research output: Contribution to journalArticle

9 Scopus citations


We present a phase field model to simulate the microstructure evolution during deformation twinning in tantalum. An order parameter, proportional to the shear strain, is employed to monitor the twinning process. The evolution of the order parameter is governed by a time-dependent Ginzburg-Landau equation, the parameters of which are determined by molecular dynamics with a model-generalized pseudopotential-theory potential. The twinning process is studied under a number of deformation conditions, and compared with the molecular dynamics counterpart.

Original languageEnglish (US)
Pages (from-to)451-454
Number of pages4
JournalScripta Materialia
Issue number7
StatePublished - Apr 1 2013


All Science Journal Classification (ASJC) codes

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering
  • Metals and Alloys

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