Tribological Performance and Reinforcement Mechanisms of CNT ‐Reinforced PCTFE Composites: Molecular Dynamics Simulation and Experimental

Abstract

This study combines molecular dynamics (MD) simulations and experimental characterization to investigate the regulatory patterns and underlying mechanisms of the effect of carbon nanotube (CNT) content on the tribological properties of poly(chlorotrifluoroethylene) (PCTFE)‐based composites at room temperature (25°C) and low temperature (−100°C). MD simulation results indicate that the incorporation of CNTs significantly enhances the structural stability and interfacial load‐bearing capacity of the composites. Experimental characterization shows that, at 25°C, 3% CNT/PCTFE exhibits the lowest wear rate (AR), reduced by 27.3% compared with pure PCTFE. Dispersed CNTs form a robust self‐lubricating transfer film on the friction surface, protecting the PCTFE matrix. At −100°C, the PCTFE matrix becomes more brittle, and 1% CNT/PCTFE demonstrates the best performance, with coefficient of friction (COF) and AR reduced by 29.1% and 66.7%, respectively, compared with pure PCTFE. The transfer film formed at low temperature shows higher compactness and stronger bonding with the matrix than that formed at room temperature. This study clarifies the reinforcing effects of CNTs on PCTFE at both temperatures, reveals the regulatory mechanisms of transfer film evolution and interfacial interactions governing the tribological properties, and provides quantitative theoretical support for the precise design of PCTFE‐based tribological materials for extreme environments.