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

YZ Zhang and K Koranteng and YB Yi, COMPUTATIONAL MATERIALS SCIENCE, 218, 111973 (2023).

DOI: 10.1016/j.commatsci.2022.111973

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 angstrom. 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.

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