The effects of Carbon Fiber(CF)and Molybdenum Disulfide(MoS2)on the mechanical and tribological properties of Polytetrafluoroethylene(PTFE)were studied by molecular dynamics simulation.Firstly,four amorphous models of PTFE,CF/PTFE,MoS2/PTFE and CF/MoS2/PTFE were established,and the friction pair model of composite material and iron was established.The restrictive shear calculation was carried out to simulate the friction motion and calculate the mechanical properties and tribological properties respectively.The results showed that when the filling amount of CF and MoS2 was 5%and 3%respectively,the mechanical properties and tribological properties of PTFE composite was improved,the Young's modulus was increased by 460%,the Poisson's ratio was decreased by 18%,and the friction coefficient of the composite was decreased by 53%.In addition,the influence mechanism of CF and MoS2 on the properties of PTFE materials was revealed from the atomic scale by extracting the data of friction interface temperature,relative concentration of atoms along the thickness direction and radial distribution function of Fe-F atoms.The results of the study provided technical guidance for the development of composite materials.