Phase Field Model of Deformation Twinning in Tantalum: Parameterization Via Molecular Dynamics
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.
Recommended Citation
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
Department(s)
Materials Science and Engineering
Keywords and Phrases
Deformation structure; Molecular dynamics; Phase-field model; Twinning
International Standard Serial Number (ISSN)
1359-6462
Document Type
Article - Journal
Document Version
Citation
File Type
text
Language(s)
English
Rights
© 2013 Elsevier Inc., All rights reserved.
Publication Date
01 Apr 2013
Comments
This work was performed under the auspices of the US Department of Energy by the Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344 (LLNL-JRNL-581392) and the National Science Foundation under grant number DMR-0710483.