Graphene nano ribbons subjected to axial stress

Abstract

Atomistic simulations are used to study the bending of rectangular graphene nano ribbons subjected to axial stress both for free boundary and supported boundary conditions. The shape of the deformations of the buckled graphene nano ribbons, for small values of the stress, are sine waves where the number of nodal lines depend on the longitudinal size of the system and the applied boundary condition. The buckling strain for the supported boundary condition is found to be independent of the longitudinal size and estimated to be 0.86$%$. From a calculation of the free energy at finite temperature we find that the equilibrium projected two-dimensional area of the graphene nano ribbon is less than the area of a flat sheet. At the optimum length the boundary strain for the supported boundary condition is 0.48$%$.