Nanoindentation study of mechanical behavior and response of a single layer pristine silicene sheet using molecular dynamics simulations

Abstract

In the present study, molecular dynamics simulations were carried out to study the mechanical behavior and response of a single layer, rectangular, planar and pristine silicene sheet during nanoindentation process. The nanoindentation simulation on the silicene sheet was done using a spherical diamond indenter and the different force vs depth of indentation curves at different conditions of temperature, indenter radius and depth of indentation were obtained. The variation of mechanical properties like maximum force, hardness and Young’s modulus were studied with respect to temperature, indenter radius and depth of indentation by varying one parameter while keeping the other two parameters constant. The deformation behavior of the silicene sheet up to failure was thoroughly studied and the mechanical properties like maximum force bearing capacity, maximum hardness and Young’s modulus of the silicene sheet were calculated. The maximum force and hardness of the silicene sheet at its maximum indentation depth of 39.5 Å are found to be 286.3 nN and 461.2 GPa respectively. The Young’s modulus of the silicene sheet is found to be 176.9 GPa which is in close agreement with the existing literature reported value of 178 GPa.