硬質粒子を含有させた結晶性高分子材料の粗視化分子動力学法を利用した摩擦挙動解析

抄録

In recent years, composite polymers have been studied to improve the mechanical properties of polymeric materials by adding hard particles to adjust their properties. In the development of composite polymer materials, the elucidation of mechanical properties at the molecular scale is a challenge. In this study, a simple model system for both polymers and hard particles is used to understand the effect of hard particle addition to crystalline polymers universally. A composite polymer model is constructed by adding CNTs to a crystalline polymer, and coarse-grained molecular dynamics simulations are performed to analyze the friction and wear behavior on the polymer surface. The friction phenomena in CNT-free and CNT-containing polymers were compared by sliding metal spheres on the surface. The Lennard-Jones potential was used for the interaction between the polymer and the metallic sphere. Simulations showed that without CNTs, the metallic spheres penetrated the polymer during the friction process and eventually reached the bottom of the model; for the CNT-doped polymer, no penetration of metallic spheres into the polymer was observed during the friction process. CNT migration is little when the metallic spheres and CNTs come into contact during friction. Therefore, the presence of CNTs at the friction interface prevents the wear of the polymer during the friction.