Title

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.

Department(s)

Mechanical and Aerospace Engineering

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.

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.

Share

 
COinS