Phenomena which pertain to fracture of thermoset polymers has been simulated at electronic, atomistic, and meso length scales. Intra- and inter-chain chemical interactions at high strain are explored using hybrid atomistic and electronic structure methods to capture reactions at bond scission. Results are compared with measurements from a variety of types of experiments. Material flow ahead of the crack tip is predicted with a Dugdale model adapted to include necking and strain hardening associated with polymer viscoplastic deformation. Material models are derived from atomistic simulations which include bond scission. Predictions of the resulting critical strain energy release rate for several epoxy resins are compared with measurements. 

Simulation of bond scission and viscoplastic flow in thermoset polymer fracture

246th National Meeting (2013)

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.