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

7 Citations (Scopus)

Abstract

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
Volume68
Issue number7
DOIs
StatePublished - Apr 1 2013

Fingerprint

Tantalum
Twinning
twinning
tantalum
Parameterization
parameterization
Molecular dynamics
molecular dynamics
potential theory
shear strain
Landau-Ginzburg equations
Shear strain
pseudopotentials
microstructure
Microstructure

All Science Journal Classification (ASJC) codes

  • Materials Science(all)
  • Condensed Matter Physics

Cite this

Gu, Yijia ; Chen, Long-qing ; Heo, Tae Wook ; Sandoval, Luis ; Belak, James. / Phase field model of deformation twinning in tantalum : Parameterization via molecular dynamics. In: Scripta Materialia. 2013 ; Vol. 68, No. 7. pp. 451-454.
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Phase field model of deformation twinning in tantalum : Parameterization via molecular dynamics. / Gu, Yijia; Chen, Long-qing; Heo, Tae Wook; Sandoval, Luis; Belak, James.

In: Scripta Materialia, Vol. 68, No. 7, 01.04.2013, p. 451-454.

Research output: Contribution to journalArticle

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AU - Gu, Yijia

AU - Chen, Long-qing

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AU - Sandoval, Luis

AU - Belak, James

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