Research progress in molecular dynamics simulation of CNT and graphene reinforced metal matrix composites

Abstract Carbon nanomaterials are considered as one of the ideal choices for high-performance metal matrix composite reinforcements and one of the key directions of scientific research in recent years. Molecular dynamics simulation could be used conveniently to construct different composite material systems and study the properties of carbon nanomaterials reinforced metal matrix composites under different conditions. This review mainly introduces the molecular dynamic research progress of carbon nanotube (CNT) and graphene-reinforced metal (Cu, Al, Ni) composites. The potential functions of the carbon nanomaterials reinforced metal matrix composite simulation systems are briefly introduced. The dependence of the mechanical properties of metal matrix composites on the sizes, volume fraction and distribution states of CNT and graphene is detailed and discussed. Finally, we briefly summarize the future development direction of the molecular dynamic simulation with respect to carbon nanomaterials reinforced metal matrix composites.