▎ 摘　　要

The mechanical properties of functionalized graphene/polyethylene (f-GRA/PE) composites and graphene/polyethylene (GRA/PE) composites were studied based on the crystallized models with the molecular dynamics simulation in this paper. The effects of GRA and f-GRA with different mass fractions on the mechanical properties of polyethylene were considered. The results showed that the adsorption capacity of polyethylene molecular chains of f-GRA is stronger, the compatibility of f-GRA/PE system is higher with decreasing the interface distance, and the dynamic property of molecular chain is weaker with reducing the radius of gyration of f-GRA/PE. Furthermore, the reduction of mechanical energy consumption results in the increase of wear resistance of the system, which is more obvious when the mass fraction of f-GRA increases. Finally, the influence of different tensile rates on the composite system was studied. It was found that during the tensile process, the ability of the composite material to resist deformation in the stretching direction is enhanced, and the functionalized graphene inhibits the movement of the molecular chain due to the adsorption force, which improves the yield stress of the f-GRA/PE composite material, thereby increasing the tensile strength. Tensile rate has a certain effect on mechanical properties, and elastic modulus and yield stress increase with the increase of strain rate.