Exploration on the enhanced mechanism of copper surface tribology by WS2 from MD simulation

This study employs molecular dynamics (MD) simulations with Stillinger-Weber (SW) and Embedded Atom Method (EAM) potentials to investigate the tribological behavior of WS2 coatings on a copper substrate against spherical alumina indenter. Various loads, rotational speeds, and temperatures are explored to analyze their effects on tribological properties. The investigation reveals compelling insights: load-dependent frictional behavior, elucidation of non-linear stress patterns with rotational speeds, and the discernment of temperature-induced alterations in friction coefficient. Furthermore, through detailed analysis utilizing Radial Distribution Function (RDF) methodology, molecular rearrangement dynamics are unveiled, enriching our understanding of the WS2-copper interplay. This research contributes to understanding the intricate dynamics of WS2 coatings and copper interactions, crucial for optimizing tribological performance in practical applications.