Abstract
Mechanical and tribological properties of polytetrafluoroethylene (PTFE) reinforced with carbon nanotubes (CNTs) are studied by a molecular dynamics (MD) simulation to explore inherent interactions and wear mechanisms of polymer nanocomposites from an atomic scale. The friction models of polymer sliding against metal are developed to examine the friction coefficient and wear rate. The mechanical properties of pure PTFE are also analyzed to explain the inherent mechanisms of friction reduction and wear resistance improvement. The MD simulated results show that the Young’s modulus and shear stress of PTFE increase by 136.58% and 236.3% after carbon nanotubes reinforcement, respectively. The average friction coefficient of PTFE in the steady stage sliding against Cu layer under normal conditions decreases from 0.169 to 0.127 after CNTs reinforcement. The interaction potential energy between CNT and PTFE was calculated to interpret the improvement effect of CNT. The inherent mechanisms of the enhanced mechanical and tribological properties of PTFE are emphatically discussed and interpreted from an atomic view by analyzing the variations of the radius distribution function, relative concentrations and temperature in the thickness direction.
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