Network Forensics of Linear Chain Networks

We use a forensic-like approach to analyze results of coarse-grained molecular dynamics simulations of nonlinear deformations of networks made by crosslinking linear chains in a melt. In particular, we have obtained the Kuhn length and degrees of polymerization of the network strands between crosslinks as well as the cumulative contribution of the network defects into the network structural modulus. For networks with trapped entanglements, we identified a transition from crosslink- to entanglement-controlled network elasticity with increasing degree of polymerization of network strands between crosslinks and correlate this transition with changes of entanglement and structural shear moduli describing different modes of network deformation.