Friction Behavior of Diamonds at Different Temperatures: A Molecular Dynamics Simulation

Diamonds have attracted much attention due to their superior tribological performance. However, there is no unified understanding of the friction and wear mechanism of diamonds under thermal conditions. To address this issue, it is extremely important to explain the wear mechanism of diamonds under thermal conditions. The tribological and thermodynamic properties of diamonds at various temperatures were simulated by molecular dynamics (MD); the tribological mechanism of diamonds at different temperatures was discussed on the atomic scale, and the friction force and coefficients, strain, and stress were analyzed. The radial distribution function (RDF) and mean square displacement (MSD), temperature contour and displacement contour, and the wear mechanism of a diamond under thermal conditions are also discussed. The research results illustrate that with the increase in system temperature, the average friction force and coefficients of diamond gradually increase, and the distribution position of atoms is different at different temperatures.