Friction and wear mechanisms of H-DLC films with different hydrogen contents in nitrogen and oxygen atmospheres: Insights from reactive molecular dynamics

YH Liu and YX He and LG Liu and JW Xie and DY Zheng and XW Li, TRIBOLOGY INTERNATIONAL, 211, 110896 (2025).

DOI: 10.1016/j.triboint.2025.110896

This study investigates friction and wear mechanisms of H-DLC films with varying hydrogen contents in N2 and O2 through ReaxFF MD simulation. N2 and O2 can significantly reduce the friction and wear of H-DLC films, effectively inhibit the cross-linking and structural deformation of the friction interface. As the hydrogen content increases, hydrogen atoms passivate the free C suspension bonds on the surface of the films. In the N2 atmosphere, N2 causes physical adsorption at the friction interface, resulting in the change of friction form from shear deformation to gas phase lubrication. In the O2 atmosphere, H-DLC films are oxidized by O2 to form oxygencontaining groups, serves as a low- shear strength lubricant between interfaces to achieve low and stable friction.

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