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

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

doi:10.1016/j.scriptamat.2012.11.022

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 journal › Article › peer-review

10 Scopus citations

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 language	English (US)
Pages (from-to)	451-454
Number of pages	4
Journal	Scripta Materialia
Volume	68
Issue number	7
DOIs	https://doi.org/10.1016/j.scriptamat.2012.11.022
State	Published - 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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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.",

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T2 - Parameterization via molecular dynamics

AU - Gu, Yijia

AU - Chen, Long Qing

AU - Heo, Tae Wook

AU - Sandoval, Luis

AU - Belak, James

PY - 2013/4/1

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AB - 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.

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