Molecular dynamics-based study of the frictional properties of graphene on several microstructured gold surfaces

LAMMPS is employed to construct adsorption models of graphene on four distinct micro-structured gold substrates (smooth, U-shaped groove, V-shaped groove, and rectangular groove). Subsequently, the force state and degree of adsorption of graphene on these substrates are analyzed. Finally, by varying parameters such as the number of graphene layers, normal load, temperature, and contact radius, the effects of these factors on the friction and wear performance of graphene are systematically investigated. This study elucidates the friction mechanisms of graphene under diverse environmental and microstructural conditions, thereby providing a theoretical foundation for its application on gold.