Characterization of graphene reinforced 3C-SiC composite as a metal-free friction material using molecular dynamics simulation

[Display omitted] •The composite laminate with covalent bonds connected between 3C-SiC and graphene is constructed using molecular dynamics.•High temperature causes thermal softening to the material and increases the wear rate.•Graphene layers in the laminate model reduce the wear severity and improve the Young’s modulus and the tensile strength of the laminate model.•Covalent bonds between SiC and graphene disperse the phonons when heat is transferred along the laminate and decrease the thermal conductivity at the temperature of 300 K. In this work, the tribological, mechanical and thermal properties of graphene (Gr)-based 3C-SiC nanocomposite as a metal-free friction material were first studied by using molecular dynamics (MD) simulations. In tribological properties, the frictional force, normal force, effective coefficient of friction and wear rate were investigated. The effects of scratching depth, temperature, scratching velocity and the number of Gr layers in the composite to the friction process were considered. Young’s modulus, ultimate tensile stress (UTS) and failure strain in the mechanical properties, and thermal conductivity in the thermal property were also included to understand the tribological performances of the composite. The interfacial interaction energy was evaluated to characterize the effect of interface on material properties. The validations were performed on some representative results. In the simulation results with the selected configurations which are listed in the subsequent content, the nanocomposite showed the lowest wear rate with an appreciable coefficient of friction at the scratching depth of 10 Å. 10 m/s was the optimal scratching speed to maintain the best wear performance. A temperature of 300 K yielded the highest coefficient of friction and the lowest wear rate. The model with three Gr layers showed a relatively high coefficient of friction and a relatively low wear rate. The model with five Gr layers stacked in 3C-SiC exhibited the best mechanical performance. The nanowire model with two Gr layers showed a higher thermal conductivity. The research findings will provide guidance in design and manufacturing of Gr/3C-SiC friction materials. The study will also help understand the effect of Gr as a potential reinforcement for metal-free friction materials.