粗視化分子動力学を用いた架橋エラストマーの力学物性に対する架橋剤官能基数の影響解析

抄録

Coarse-grained molecular dynamics (CGMD) simulation has been frequently used to analyze the physical properties of cross-linked polymers. The effects of cross-linker functionality and distribution on the stress−strain behavior of cross-linked polymer networks are studied using CGMD simulations. Stress−strain curves are determined for each system from tensile stretching simulations. The radial distribution function and Voronoi analysis are also used to study the structures of the simulated systems. It is notified that the bridge point distribution plays an important role in the change of the stress-strain curve.