Permanent set of cross-linking networks: Comparison of theory with molecular dynamics simulations

D. R. Rottach and J. G. Curro and J. Budzien and G. S. Grest and C. Svaneborg and R. Everaers, Macromolecules, 39, 5521-5530 (2006).

The permanent set of cross-linking networks is studied by molecular dynamics. The uniaxial stress for a bead-spring polymer network is investigated as a function of strain and cross-link density history, where cross-links are introduced in unstrained and strained networks. The permanent set is found from the strain of the network after it returns to the state-of-ease where the stress is zero. The permanent set simulations are compared with theory using the independent network hypothesis, together with the various theoretical rubber elasticity theories: affine, phantom, constrained junction, slip-tube, and double-tube models. The slip-tube and double-tube models, which incorporate entanglement effects, are found to be in very good agreement with the simulations. CP 2006 American Chemical Society. (47 Refs.)

Return to Publications page