Title

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

Authors

Olanrewaju Aluko, University of Michigan-Flint
Gowtham S, Michigan Technological UniversityFollow
Sorayot Chinkanjanarot, Michigan Technological University
Matthew S. Radue, Michigan Technological UniversityFollow
Gregory M. Odegard, Michigan Technological UniversityFollow

Document Type

Conference Proceeding

Publication Date

2015

Abstract

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

Recommended Citation

Aluko, O., S, G., Chinkanjanarot, S., Radue, M. S., & Odegard, G. M. (2015). A computational molecular dynamic study on epoxy-based network: thermo-mechanical properties. American Society For Composites 30th Technical Conference On Composite Materials.
Retrieved from: https://digitalcommons.mtu.edu/data-science-fp/12