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Elsevier, Journal of Alloys and Compounds

DOI: 10.1016/j.jallcom.2016.03.069

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Molecular dynamics simulation of deformation twin in rocksalt vanadium nitride

Journal article published in 2016 by Tao Fu, Xianghe Peng, Yinbo Zhao, Tengfei Li, Qibin Li, Zhongchang Wang
This paper is available in a repository.
This paper is available in a repository.

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Abstract

We perform molecular dynamics simulation of nano-indentation with a cylindrical indenter to investigate the formation mechanism of deformation twin in vanadium nitride (VN) with a rocksalt structure. We find that the deformation twins occur during the loading stage, and subsequently conduct a systematic analysis of nucleation, propagation and thickening of a deformation twin. We find that the nucleation of a partial dislocation and its propagation to form a stacking fault are premise of deformation twin formation. The sequential nucleation and propagation of partial dislocation on adjacent parallel {111} planes are found to cause the thickening of the deformation twin. Moreover, the deformation twins can exist in VN at room temperature.