Molecular Dynamics Simulation of the Lubrication Process in Graphene/Molybdenum Disulphide Nanofluids

This study prepared graphene/molybdenum disulphide (RGO/MoS 2 ) composite additives via freeze-drying to enhance their dispersion stability and oxidation resistance. The tribological properties and lubrication mechanisms of these nano-additives in lubricating oils were systematically investigated through experimental characterisation and molecular dynamics simulations. Results demonstrated that MoS 2 's interlayer sliding intensifies with increasing load/speed, though excessive mechanical stress induces structural degradation; graphene provides stable support for MoS 2 , reducing atomic slippage and improving synergistic lubrication. A comparison between the experimental and molecular dynamics simulation results leads to the following conclusions: MoS 2 demonstrates superior friction performance under high-speed and light-load conditions compared to RGO/MoS 2 . Conversely, RGO/MoS 2 exhibits better friction performance under high-load and low-speed conditions than MoS 2 alone. Importantly, across various testing conditions, the trends in the friction coefficient curves obtained from molecular dynamics simulations align well with the experimental data.