Rubber elasticity of realizable ideal networks

Abstract

The rubber elasticity of four types of defectless crystalline-like networks has been investigated by coarse-grained molecular dynamics simulations to test the validity of Kuhn's affine network theory of rubber elasticity. The shear moduli of the realizable ideal networks are obtained through their uniaxial deformation. The relation between the shear modulus and the partial chain density reveals that the elasticity of the phantom ideal networks with no excluded volume interactions can be explained by a generalized Kuhn's theory. In addition, the shear moduli of the real networks with excluded volume interactions are usually lower than those of the corresponding phantom networks, which is because of a decrease in the conformational entropy of each partial chain. Coarse-grained molecular dynamics simulations of phantom networks is a promising approach to deeply understand cross-linked rubbers.