화학공학소재연구정보센터
Applied Surface Science, Vol.357, 643-650, 2015
Molecular dynamics simulation of VN thin films under indentation
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}< 11 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 00}< 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. (C) 2015 Elsevier B.V. All rights reserved.