Compression twinning and structural phase transformation of single crystal titanium under uniaxial compressive strain conditions: Comparison of inter-atomic potentials
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- 作者：Sunil Rawat ; alig.sunil@gmail.com" class="auth_mail" title="E-mail the corresponding author ; Nilanjan Mitra nilanjan@civil.iitkgp.ernet.in" class="auth_mail" title="E-mail the corresponding author
- 关键词：Compression twinning ; Phase transformation ; HCP metals ; Titanium ; Molecular dynamics
- 刊名：Computational Materials Science
- 出版年：2017
- 出版时间：January 2017
- 年：2017
- 卷：126
- 期：Complete
- 页码：228-237
- 全文大小：2094 K
文摘
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Deformation behaviour of Ti single crystal is tested with 4 interatomic potentials.
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The activation of compression twin systems does not follow Schmid factor criterion.
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The activation of twin variants of a twin system follows the Schmid factor criterion.
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The evolution and dominance of twin variants is not dictated by the Schmid factor.
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Kim potential should be considered as the best choice for the deformation of Ti.