Investigation on wear-resistance of nanocrystalline Pt-Au by molecular dynamics simulations

Abstract

In this study, molecular dynamics simulation was used to investigate the wear-resistance behavior in nanocrystalline Pt-Au under a hard grinding ball. A comprehensive analysis was performed regarding the variation of wear volume and rate with sliding distance, frictional forces, and defect evolution at different temperatures. The effect of adding atomic concentrations of Au as solute segregation at GBs has also been investigated subsequently. It was found that the segregation of Au to the GBs of nanocrystalline Pt demonstrates improvement in the slab's anti-wear behavior compared to the pure Pt samples across all the temperatures, and it was concluded that the underlying wear-mechanism is adhesion-dominated across all the samples, and that diffusion-driven phenomenon might be an influencing factor at homologous temperature.