Studies of Mesoscale Models Parameterized by Molecular Models for Interface Failure in Epoxy Molding Compounds

Abstract

Deeper understanding of material failure must include consideration of contributions from the molecular and atomistic scales from which a more complete root cause picture may be constructed. The current study, supported by an international consortium effort (NanoInterface) [1], reports efforts to bridge the gap between molecular models and macroscale models by use of a mesoscale discrete particle method. Both the initial stress-strain curve and the latter part of the stress strain curve has been developed for perfect (flat) interfaces as well as simulated rough interfaces, using a saw-tooth configuration.