Enhanced tribological properties of polymer composites by incorporation of nano-SiO2 particles: A molecular dynamics simulation study

Abstract A molecular model of polymer composites enhanced by nano-SiO 2 particles is developed. The elastic properties of the nano-SiO 2 particle/polymer composites are measured by applying strain constant method. The enhanced tribological properties of the polymer/nano-SiO 2 composites are studied through applying a top iron layer sliding on the surface of the polymer composites using molecular dynamics simulations. The results show that an increase of about 190% in the Young’s modulus is achieved by introduction of nano-SiO 2 particle. Decreases of about 27% and 47.4% in the average friction coefficient and abrasion rate of the polymer/nano-SiO 2 composites are obtained. In order to explore the mechanisms of the enhanced tribological properties, the interfacial interactions between polymer materials and nano-SiO 2 particles, radius distribution function values between top iron layer and polymer materials and atoms concentrations of polymer composites are calculated and discussed.