Enhancement of Mechanical and Tribological Properties of MWCNT-Reinforced Bio-Based Epoxy Composites Through Optimization and Molecular Dynamics Simulation

This study investigated the enhancement of the mechanical and tribological properties of MWCNT-reinforced bio-based epoxy composites through systematic experiments and analysis. Composites incorporating MWCNTs at varying weight percentages were evaluated for hardness, wear rate, interfacial shear strength, and friction coefficient under diverse load, sliding speed, and distance conditions. An optimal MWCNT content of 0.3–0.4% resulted in a maximum hardness of 4 GPa and a minimum wear rate of 0.0058 mm3/N·m, demonstrating a substantial improvement over the non-reinforced system. FTIR and XRD analyses confirmed robust interfacial bonding between the MWCNTs and epoxy matrix, while molecular dynamics simulations revealed cohesive energy density and stress distribution profiles. The Taguchi optimization identified the MWCNT weight percentage as the most influential parameter, contributing over 85% to wear rate reduction. Contour plots and correlograms further illustrate the parameter interdependencies, emphasizing the role of MWCNT dispersion in enhancing the composite properties. These findings establish that MWCNT-reinforced bio-based epoxy composites are promising candidates for high-performance and sustainable tribological applications.