Molecular dynamics study on friction of low-carbon alloy steel 16MnCr5

Abstract To enhance the durability and reliability of 16MnCr5 low-carbon alloy steel, it is essential to gain an in-depth understanding of the mechanisms underlying its friction and wear properties. While traditional pin-on-disk experiments can effectively investigate the influence of multiple factors on tribological performance, they are time-consuming and highly dependent on the machining accuracy of test specimens. In this study, molecular dynamics simulation was employed to systematically examine the effects of grinding depth, sliding velocity, temperature, and chromium content on the frictional properties of 16MnCr5 alloy. The tribological behavior of the alloy was analyzed by investigating the variations in normal force, friction coefficient, and number of atomic wear debris under different conditions. The results indicate that the aforementioned factors exert varying degrees of influence on the material’s friction coefficient and wear resistance. The friction coefficient and wear rate of 16MnCr5 alloy exhibit a positive correlation with indentation depth, sliding velocity, and temperature, driven by the enhanced interfacial interaction and atomic dislocations. An optimal chromium content of 1% balances hardness and ductility, minimizing the accumulation of wear debris while maintaining tribological stability.