Molecular Dynamics-Based Cohesive Law for Epoxy–Graphene Interfaces

Molecular dynamics simulations are used to obtain mode I and mode II fracture energies and cohesive laws for bulk epoxy and interfaces formed between epoxy and single-layer graphene (SLG), multilayer graphene (MLG), and multilayer graphene oxide (MLGO). The elastic moduli and ultimate tensile and shear strengths of epoxy–graphene interfaces are calculated from uniaxial tension and simple shear loadings. The results show that Young’s modulus and...