Influence of specimen size and strain rate on tensile deformation and fracture behavior of single-layer Silicene

BSK Gargeya and S Pal, MATERIALS TODAY-PROCEEDINGS, 18, 1401-1410 (2019).

DOI: 10.1016/j.matpr.2019.06.606

Silicene is potential material for electronic industry and therefore an understanding of the deformation features of silicene is significant for the better design of electronic components. In this Molecular Dynamics (MD) simulation work, deformation behavior of silicene and its underlying mechanism based on structural evolution during deformation has been investigated by applying tensile load parallel to the arm chair direction. To understand the effect of specimen size on deformation behaviour four specimens containing 600, 20000, 60000 and 100000 atoms are considered. The MD simulations are performed at 50 K and for different strain rates such as 10(9) sec(-1), 10(10) sec(-1) and 10(11) sec(-1) using EDIP potential. Evaluated Young modulus is found to be independent of strain rate for the specimen having 100000 atoms. Fracture strain is found to be dependent on the specimen size and the strain rate. It is observed that the UTS, fracture stress and fracture strain of the silicene nano sheet improves with the increasing strain rate. (C) 2019 Published by Elsevier Ltd.

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