Publications

Thompson, Aidan P.; Budzien, Joanne L.

Abstract not provided.

Budzien, Joanne L.; Thompson, Aidan P.

Abstract not provided.

Macromolecules

Budzien, Joanne L.; Lo, Chi S.; Thompson, Aidan P.

Abstract not provided.

Budzien, Joanne L.; Lo, Chi S.; Grest, Gary S.; Thompson, Aidan P.

Abstract not provided.

Curro, John G.; Budzien, Joanne L.; Grest, Gary S.; Thompson, Aidan P.

The Independent Network Model (INM) has proven to be a useful tool for understanding the development of permanent set in strained elastomers. Our previous work showed the applicability of the INM to our simulations of polymer systems crosslinking in strained states. This study looks at the INM applied to theoretical models incorporating entanglement effects, including Flory's constrained junction model and more recent tube models. The effect of entanglements has been treated as a separate network formed at gelation, with additional curing treated as traditional phantom contributions. Theoretical predictions are compared with large-scale molecular dynamics simulations.

Budzien, Joanne L.; Lo, Chi S.; Curro, John G.; Thompson, Aidan P.; Grest, Gary S.

Constitutive models for chemically reacting networks are formulated based on a generalization of the independent network hypothesis. These models account for the coupling between chemical reaction and strain histories, and have been tested by comparison with microscopic molecular dynamics simulations. An essential feature of these models is the introduction of stress transfer functions that describe the interdependence between crosslinks formed and broken at various strains. Efforts are underway to implement these constitutive models into the finite element code Adagio. Preliminary results are shown that illustrate the effects of changing crosslinking and scission rates and history.