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Elsevier, Applied Surface Science, (357), p. 643-650

DOI: 10.1016/j.apsusc.2015.09.024

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Molecular Dynamics Simulation of VN Thin Films under Indentation

Journal article published in 2015 by Tao Fu, Xianghe Peng, Cheng Huang, Deqiang Yin, Qibin Li, Zhongchang Wang
This paper is available in a repository.
This paper is available in a repository.

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Abstract

We investigated with molecular dynamics simulation the mechanical responses of VN (0 0 1) thin films subjected to indentation with a diamond columnar indenter. We calculated the generalized stacking-fault energies as a function of the displacement in the 1 1 0 directions on the {0 0 1}, {1 1 0}, and {1 1 1} planes, and analyzed systematically the microstructures and their evolution during the indentation with the centro-symmetry parameters and the slices of the VN films. We found the slips on {1 1 0}1 1 0 of the VN film under indentation at the initial stage. With the increase of indentation depth, slips are also activated on {1 1 1}1 1 0 and {1 0 0}0 1 1 systems. We further found that the slip system is determined by the stacking-fault energy rather than the layer spacing. The indentations with other different parameters were also performed, and the results further prove the validity of the conclusion.