Prediction of Residual Stress Build-up in Polymer Matrix Composite During Cure using a Two-scale Approach

Abstract

This article details the modeling of EPON862/DETDA epoxy system using Molecular Dynamics to predict the volumetric shrinkage as a function of crosslinking density. The ‘fix bond/react’ command in LAMMPS is used to virtually simulate the curing of the epoxy. The results for the shrinkage showed a good agreement with other modeling data in literature.