Journal
SCRIPTA MATERIALIA
Volume 68, Issue 7, Pages 451-454Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.scriptamat.2012.11.022
Keywords
Deformation structure; Twinning; Phase-field model; Molecular dynamics
Categories
Funding
- US Department of Energy by the Lawrence Livermore National Laboratory [DE-AC52-07NA27344 (LLNL-JRNL-581392)]
- National Science Foundation [DMR-0710483]
- NSF Major Research Instrumentation Program [OCI-0821527]
- Materials Simulation Center
- Graduated Education and Research Service at Pennsylvania State University
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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. (C) 2012 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
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