Phase Field Model of Deformation Twinning in Tantalum: Parameterization Via Molecular Dynamics
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.
Y. Gu et al., "Phase Field Model of Deformation Twinning in Tantalum: Parameterization Via Molecular Dynamics," Scripta Materialia, vol. 68, no. 7, pp. 451-454, Elsevier Inc., Apr 2013.
The definitive version is available at https://doi.org/10.1016/j.scriptamat.2012.11.022
Mechanical and Aerospace Engineering
Keywords and Phrases
Deformation structure; Molecular dynamics; Phase-field model; Twinning
International Standard Serial Number (ISSN)
Article - Journal
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