Molecular dynamics study of void effect on nanoimprint of single crystal aluminum

Y Yuan and T Sun and JJ Zhang and YD Yan, APPLIED SURFACE SCIENCE, 257, 7140-7144 (2011).

DOI: 10.1016/j.apsusc.2011.03.073

Pre-existing defects can alter mechanical behavior of materials significantly under applied load. In current study molecular dynamics (MD) simulations are performed to reveal pre-existing void effect on nanoimprint of single crystal Al thin films, such as deformation mechanism and spring back phenomenon. Current simulation results show void acts as strong barrier to dislocation motion, although plastic deformation is dominantly controlled by dislocation activities. It indicates the void volume fraction has strong influence on nanoimprint: the larger the void volume fraction, the smaller the maximum force required for initial dislocation nucleation, and the stronger the interaction between extended dislocation and void. It also demonstrates that there is a critical void volume fraction for minimum spring back, which is resulted from competition between two roles affecting dislocation annihilation. (C) 2011 Elsevier B.V. All rights reserved.

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