Influence of Network Chain Structure on Mechanics of Glassy Polymer Networks

Abstract

We study the higher‐order cycle structures and topological structure‐property relations of thermosets using coarse‐grained molecular simulations, graph optimization, and graph generation concepts. The topological properties of networks are controlled using a modified Watts‐Strogatz graph‐generation model, which allows the corresponding physical properties to be studied with simulations. The degree of disorder in the polymer network is systematically varied to assess the differences in uniaxial stress response, and in the nature of bond scission of fully cured glassy networks. We show that the architecture of the network strongly affects the onset of bond breaking and ultimate stress, but leaves the modulus and yield point unchanged.