A computational molecular dynamic study on epoxy-based network: thermo-mechanical properties
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.
American Society For Composites 30th Technical Conference On Composite Materials
Aluko, Olanrewaju; S, Gowtham; Chinkanjanarot, Sorayot; Radue, Matthew S.; and Odegard, Gregory M., "A computational molecular dynamic study on epoxy-based network: thermo-mechanical properties" (2015). Data Science Publications. 12.