Influence of stoichiometry on thermo-mechanical properties of DGEBF/DETDA epoxy

Document Type

Conference Proceeding

Publication Date



Department of Mechanical Engineering-Engineering Mechanics


This work presents the molecular modeling of full and off-stoichiometry models of the epoxy system using Molecular Dynamics to predict the mechanical properties as a function of the crosslinking density. The Reactive Interface Force Field (IFF-R) is implemented in this work to simulate mechanical deformation. The results show that the predicted mass density, volumetric shrinkage, and bulk modulus have a strong dependence on the stoichiometry of the epoxy. These results are important to study the evolution of properties with crosslinking density and predict residual stresses during the processing of epoxy in process modeling of composites.

Publisher's Statement

Copyright © 2022 by Sagar U. Patil. Published by the American Institute of Aeronautics and Astronautics, Inc., with permission. Publisher’s version of record: https://doi.org/10.2514/6.2022-0377

Publication Title

AIAA Science and Technology Forum and Exposition, AIAA SciTech Forum 2022