Monte Carlo Simulations on Polymer Network Deformation

We present a new methodology for the investigation of elastic properties of polymer networks. The calculation of the stress-strain relation in simple extension is performed in the framework of a highly flexible lattice Monte Carlo algorithm. The essential features of a network, namely, excluded volume of effective monomers, conservation of topology, noncrossability, and finite extensibility of the network strands, are rigorously accounted for during the dynamics. Analysis of the structure revealed pronounced nonaffine and inhomogeneous deformation behavior.