Mechanical deformation and fracture mode of polycrystalline graphene: Atomistic simulations

Mechanics of polycrystalline graphene are studied through molecular dynamics simulations. Local buckling forms the ridge or funnel centering on pentagon, and fluctuating stress occurs under small tensile strain due to out-of-plane distortion. In addition, brittle breaking is initialized from heptagons and ends with fracture of pentagons.

► Mechanics of polycrystalline graphene is studied by atomistic simulations.
► Local buckling forms the ridge or funnel along grain boundary with 5–7 rings.
► Fluctuating stress occurs under small tensile strain due to out-of-plane distortion.
► Brittle breaking is initialized from heptagons and ends with pentagons.