Pseudo Hall–Petch Strength Reduction in Polycrystalline Graphene

The fracture of polycrystalline graphene is explored by performing molecular dynamics simulations with realistic finite-grain-size models, emphasizing the role of grain boundary ends and junctions. The simulations reveal a ∼50% or more strength reduction due to the presence of the network of boundaries between polygonal grains, with cracks preferentially starting at the junctions. With a larger grain size, a surprising systematic decrease of tensile strength and failure strain is observed, while the elastic modulus rises. The observed crack localization and strength behavior are well-explained by a dislocation-pileup model, reminiscent of the Hall–Petch effect but coming from different underlying physics