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Abstract In this study, we constructed molecular friction models for polytetrafluoroethylene (PTFE)/graphene composites with various defect ratios to represent their different wear stages and simulated their friction processes under different load conditions. The friction and wear mechanisms were revealed by analyzing the variations in their molecular architectures and energies during friction. The results indicate that the friction coefficient decreased with increasing load. When the load was constant, the friction coefficients of the composites containing defections were resemble, indicating that they remained unchanged in the different wear stages. The composite wear continued to increase during friction. However, the wear increment decreased gradually. In addition, by analyzing the changes in MSD, wear can be divided into initial, stable, and accelerated wear stages. Highlights Construct PTFE/Gr molecular models to represent their different wear stages. Simulate the dynamic changes of PTFE/Gr molecular structure during friction. The influence of PTFE/Gr dynamic structural changes was revealed. Reveal the normal force variation from an energy perspective.
Wang et al. (Tue,) studied this question.
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