Atomic-Scale Investigation of the Tribological Behaviors of Titanium Alloy Interfaces with 2D Nanomaterials

Titanium alloys have been widely used as friction materials. However, the tribological mechanisms still lack profound insight into the friction process at the atomic scale. In this work, the effects of tribological conditions, surface roughness, and two-dimensional (2D) nanomaterials on the tribological behaviors of titanium alloys were investigated by molecular dynamics simulations. The findings of this study indicate that the indentation depth had the greatest effect on the friction force and number of worn atoms. Specific roughness parameters had the least friction force and number of worn atoms. 2D nanomaterials could greatly reduce the friction force, and the interlayer sliding phenomenon existed at a rotation angle of 90°. A detailed microscopic understanding of the friction process provides new ideas for tribological behavior study of titanium alloys.