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

ABSTRACT 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.