@article{337c05a2f771447f99dccae244a731b8,
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.",
author = "Yijia Gu and Chen, {Long Qing} and Heo, {Tae Wook} and Luis Sandoval and James Belak",
note = "Funding Information: The authors gratefully acknowledge Ming Tang, Robert Rudd, Michael Surh and David Richards for fruitful discussions. 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 . The phase-field simulations were carried out on the LION and Cyberstar clusters at Pennsylvania State University, supported in part by NSF Major Research Instrumentation Program through grant number OCI-0821527 , and in part by the Materials Simulation Center and the Graduated Education and Research Service at Pennsylvania State University .",
year = "2013",
month = apr,
doi = "10.1016/j.scriptamat.2012.11.022",
language = "English (US)",
volume = "68",
pages = "451--454",
journal = "Scripta Materialia",
issn = "1359-6462",
publisher = "Elsevier Limited",
number = "7",
}