Resistance and rupture analysis of single- and few-layer graphene nanosheets impacted by various projectiles

Abstract

In this paper, a quasi-classical model for the collision of various nanoparticles with single- and few-layer graphene nanosheets was introduced as a multi-scale approach that couples non-equilibrium molecular dynamics with the Finite Element Method. As a resistance criterion, it was observed that the coefficient of restitution and the induced stresses depend on the impact velocity of projectile. These parameters were evaluated computationally, and it was revealed that certain resulting behaviors differ from behaviors at the macro scale. By obtaining an out-of-plane yield stress limit of 1.0 TPa for graphene, the stress analysis of single- and multi-layer graphene sheets revealed that the limit projectile velocity needed for the yielding of graphene sheets increases with the increase in the number of layers. For aluminum nanoparticles, this increase is almost linear, and for other metals, it slightly deviates from the linear trend. It was also observed that the graphene sheets have a different rupture form when impacted by gaseous molecules than by metal particles. Considering the very high momentum of gas molecules and their shock-like behavior during high-speed collisions with a graphene sheet, pores with a size of one carbon atom can be created in graphene sheets. Since a single-layer graphene sheet can withstand a projectile which is 3.64 times larger than a projectile impacting a 20-layer graphene sheet, spaced graphene sheets seem to be more effective in absorbing the impact energy of projectiles than conventional few-layer graphene sheets.