Molecular dynamics study of tribological properties of Ni–Cr alloy coatings with different pore shapes

Abstract

The presence of nanopores with different shapes cannot be avoided during the coating preparation process, and the pore shape is an important factor affecting the coating friction mechanism. This paper applies molecular dynamics to study the tribological properties of Ni–Cr alloy coatings containing spherical, rectangular and ellipsoid-shaped pores. It is found that the coating with spherical pores has the smallest fluctuation of friction coefficient and the shallowest depth of wear scar. The atoms near the rectangular pores are more likely to move towards the corners of the pores due to shear strain, and the stress concentration in the spherical pores is less than that in the rectangular and ellipsoidal pores. The spherical pore has the least effect on the potential energy inside the coating, and the interatomic bond strength is optimal. The ellipsoidal pore is also more effective in insulating the heat transfer to the bottom of the coating, protecting the substrate underneath the coating and prolonging the coating life. Coatings with rectangular pores generate more interstitial atoms during friction, producing Frank dislocation loop and prismatic dislocation loops.