A computational molecular dynamic study on epoxy-based network: thermo-mechanical properties

Document Type

Conference Proceeding

Publication Date



A computational molecular dynamics model for determining the thermomechanical properties of EPON 862 and DETDA systems was developed using OPLS all atoms force field. The approach for building heavily cross-linked epoxy-based network is defined and presented. The simulations allowed thermal properties such as glass transition temperature and coefficient of thermal expansion; as well as elastic properties of the materials to be estimated. The results exhibited a good agreement with both available experimental data and simulated results in literature.

Publisher's Statement

Publisher's version of record: http://dpi-proceedings.com/index.php/ASC30/article/view/1497

Publication Title

American Society For Composites 30th Technical Conference On Composite Materials