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Type: Journal article
Title: Atomistic simulation study of deformation twinning of nanocrystalline body-centered cubic Mo
Author: Tian, X.
Li, D.
Yu, Y.
You, Z.
Li, T.
Ge, L.
Citation: Materials Science and Engineering A, 2017; 690:277-282
Publisher: Elsevier
Issue Date: 2017
ISSN: 0921-5093
Statement of
Xiaofeng Tian, Dan Li, You Yu, Zhen Jiang You, Tongye Li, Liangquan Ge
Abstract: Deformation twinning of nanocrystalline body-centered cubic Mo was studied using molecular dynamics simulations, and the effects of grain sizes and temperatures on the deformation were evaluated. With small grain size, grain rotation accompanying grain growth was found to play important role in nanocrystalline Mo during tensile deformation. Additionally, grain rotation and the deformation controlled by GB-mediated processes induce to the difficulty of creating crack. Twin was formed by successive emission of twinning partials from grain boundaries in small grain size systems. However, the twin mechanisms of GB splitting and overlapping of two extended dislocations were also found in larger size grain. Twin induced crack tips were observed in our simulation, and this confirmed the results of previous molecular dynamics simulations. At higher temperatures, GB activities can be thermally activated, resulting in suppression of twinning tendency and improvement of ductility of nanocrystalline Mo.
Keywords: Nanocrystalline Mo; deformation twinning; molecular dynamics; ductility; crack
Rights: © 2017 Elsevier B.V. All rights reserved.
RMID: 0030066492
DOI: 10.1016/j.msea.2017.02.105
Appears in Collections:Mechanical Engineering publications

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