A Toy Model for the Cycle Rank Dependence of Stretch at Break in Phantom Chain Network Simulations

Abstract

The relationship between the topological architecture of polymer networks and their macroscopic rupture remains a fundamental challenge in polymer physics. Recent coarse-grained simulations have revealed that the dependence of stretch at break (\lambda_b) on node functionality and reaction conversion can be unified into a universal master curve when plotted against the cycle rank density (\xi). However, a theoretical derivation explaining this universality has been lacking. This study proposes a simple mechanical model to describe the \xi-dependence of \lambda_b. The polymer network is modeled as a mechanical system consisting of a sequence of springs representing localized, highly stretched strands and the surrounding unstretched network. By relating the stiffness contrast between these regions to the network connectivity defined by \xi, an analytical expression for the stretch at break is derived: \lambda_b-1\propto\sfrac{\left(3\xi+6\right)}{\left(3\xi+2\right)}\ . The proposed model is validated against phantom chain simulations using both Gaussian and finite extensibility (FENE) springs. The theoretical prediction shows reasonable agreement with simulation data, providing a physical basis for the phenomenological universality observed in polymer network rupture.