Molecular Dynamics Simulations On Mechanical Properties Of GNR/Cu Nanocomposite

Graphene, as one of two-dimensional materials, has superior performance such as high strength and excellent thermal and electrical properties. These characteristics make it widely studied after 2004, the year which the graphene was found. Among these researches, the studies about the nanocomposites constitute of graphene and metal matrix become a hotspot. In order to investigate the effect of graphene as a enhancement material, the mechanical properties of graphene/Cu nanocomposites under different load type are analyzed by using the molecular dynamics methods.Firstly, the mechanical properties of copper single-crystalline nanowire and graphene/Cu nanocomposites under uniaxial tension are investigated. The chirality, temperature and number of graphene layers were considered. The results shows that graphene greatly enhanced the mechanical properties of copper matrix and makes the graphene/Cu nanocomposite a very strong material. On other hand, the chirality significantly influenced the value of tensile strength and the fracture strain, but the number of graphene layers has much influences on Young's modulus and tensile strength.Secondly, the mechanical response of single-crystalline copper nanowire and graphene/Cu nanocomposites under three point bending are studied. It was found that graphene is the main factor of the high bending property of nanocomposite. By changing the chirality and position of graphene, different models were investigated. The results indicates that chirality of graphene has big effects on the bending properties, but position and temperature has little effects on the bending properties of graphene/Cu nanocomposite.Finally, the buckling behavior of single-crystalline copper nanowire and graphene/Cu nanocomposite under uniaxial compression. Unlike the function in tensile and bending simulations, the graphene did not enhanced the strength of nanocomposite under uniaxial compression loading. To the contrast, the graphene decreased the strength of copper matrix. Besides, the increased temperature weaken the buckling strength of nanocomposites.