Probing Friction Properties of Hydrogen-Free DLC Films in a Nitrogen Environment Based on ReaxFF Molecular Dynamics

XH Zhu and YY Luo and XW Wang and YH Jiang and H Zhang and Y Peng and YH Liu, LANGMUIR, 38, 13177-13186 (2022).

DOI: 10.1021/acs.langmuir.2c01994

In this paper, ReaxFF molecular dynamics simulations were used to look at how load and the number of nitrogen molecules affect how friction behavior in hydrogen-free diamond-like carbon (DLC). The presence of nitrogen molecules will inhibit the formation of C-C covalent bonds between the contact surfaces of the upper and lower DLC, thereby effectively suppressing the increase in friction during the initial friction phase. After the initial friction stage, the mechanical mixing of the contact surfaces brought on by the diffusion of nitrogen molecules results in considerable shear stress, which has significant impacts on the friction force. In addition, due to the existence of nitrogen molecules, the effect of graphitization of hydrogen-free DLC on friction is almost negligible.

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