Mechanical properties of single layer graphene nanoribbons through bending experimental simulations

Molecular Dynamics (MD) simulations of bending experiments have been carried out for graphene nanoribbons in order to measure their mechanical properties. Based on the continuum theory, one physical model is established for a double-clamped single layer rectangular graphene film and the relation between the centerline deflection and the concentrated force has been derived. During MD simulations, the Airebo potential is utilized to describe the C-C atomic interactions of graphene, and the concentrated radial forces were exerted on the centerline of a graphene nanoribbon. After the simulations, a set of Young's moduli is calculated based on the presented relation between the centerline deflection and the concentrated force, with an average value of 1.034 TPa, and the maximum stress of graphene is also obtained as 137.09 GPa.