Molecular dynamics simulation and finite element method investigation of PTFE/carbon fiber composite tribological properties

The mechanical parameters of polytetrafluoroethylene (PTFE), microstructures of carbon fiber (CF) and PTFE-CF interface were calculated based on the density function theory, molecular dynamics and finite element simulations. Then the friction models of GCr15-PTFE/CF composite were constructed, and the friction mechanisms of PTFE/CF composite were analyzed. The results show that the friction coefficients of composite materials containing different CF defect ratios are almost the same, indicating that the defect ratio has little influence on the friction coefficient. The position of CF in the PTFE matrix has a great impact on CF damage; the closer it is to the upper specimen during friction, the more serious the damage. In addition, the disordered structure was observed to have the most serious damage.