Title

Applying reactive molecular dynamics to predict and compare the mechanical response of di-, tri-, and tetra-functional resin epoxies

Authors

Matthew S. Radue, Michigan Technological UniversityFollow
Benjamin D. Jensen, Michigan Technological University
Gowtham S, Michigan Technological UniversityFollow
Gregory M. Odegard, Michigan Technological UniversityFollow
Danielle René Klimek-McDonald, Michigan Technological UniversityFollow
Julia A. King, Michigan Technological UniversityFollow

Document Type

Conference Proceeding

Publication Date

2015

Abstract

The influence of monomer functionality on the mechanical properties of epoxies is studied using Molecular Dynamics (MD) with the Reax Force Field (ReaxFF). From straining simulations, the Young’s modulus, yield point, and Poisson’s ratio are calculated and analyzed. The results demonstrate an increase in stiffness and yield strength with increasing resin functionality. Experimental comparisons show reasonable agreement, and therefore, this technique is confirmed to be a useful tool for understanding the structure-property relationships of epoxies.

Publisher's Statement

Publisher's version of record: http://dpi-proceedings.com/index.php/ASC30/article/view/1478

Publication Title

American Society For Composites 30th Technical Conference On Composite Materials

Recommended Citation

Radue, M. S., Jensen, B. D., S, G., Odegard, G. M., Klimek-McDonald, D. R., & King, J. A. (2015). Applying reactive molecular dynamics to predict and compare the mechanical response of di-, tri-, and tetra-functional resin epoxies. American Society For Composites 30th Technical Conference On Composite Materials.
Retrieved from: https://digitalcommons.mtu.edu/data-science-fp/15