Tribological Performance Enhancement Mechanism of Boron Phenolic Resin Composites by Experiment and Molecular Dynamics Simulations

ABSTRACT Phenolic resin is widely used in industry due to its excellent cost performance. However, its mechanical, thermal, and tribological performance needs to be improved. In this paper, hexagonal boron nitride (h‐BN)/carbon fiber/molybdenum disulfide composites modified boron phenolic resin (BPF) matrix composites were designed and prepared. A systematic investigation was conducted to examine how varying amounts of h‐BN affect the composite's mechanical strength, friction behavior, and thermal performance. The reinforced mechanism was explored by molecular dynamics simulation. As the h‐BN content rises, the composite exhibits enhanced hardness while its impact resistance shows a declining trend. Thermal stability and thermal conductivity are improved. The composites exhibit a downward trend followed by an upward shift in both the friction coefficient and wear rate and finally reach the lowest level when the h‐BN content is 6 wt.%. By worn morphology analysis, it is found that wear rate increase is due to the h‐BN enrichment, which affects the bonding properties of the composites. The outcomes of the simulation suggest that the interaction strength between the BPF matrix and h‐BN becomes stronger as the h‐BN content increases. Meanwhile, the mean square displacement of the system initially declines and then rises when the composite models were prepared with filler concentrations of 0, 2, 6, and 10 wt%. It provides theoretical support for the change of hardness and wear rate at the molecular level. This study provides guidance for designing high‐performance BPF matrix composites.