Multi-scale Approach to Predict Cure-Induced Residual Stresses in an Epoxy System

Abstract

This article details the modeling of the EPON862/DETDA epoxy system using Molecular Dynamics to predict the mechanical properties as a function of crosslinking density. The Reactive Interface Force Field (IFF-R) is implemented in this work. The properties of the epoxy system were predicted at different crosslinking levels. The predicted density, shrinkage, and bulk modulus showed a good agreement with other modeling and experimental data in literature.