Title

Comparing the mechanical response of di-, tri-, and tetra-functional resin Epoxies with reactive molecular dynamics

Authors

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

Document Type

Article

Publication Date

2018

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 deformation simulations, the Young's modulus, yield point, and Poisson's ratio are calculated and analyzed. Comparison between the network structures of distinct epoxies is further advanced by the monomeric degree index (MDI). Experimental validation demonstrates the MD results correctly predict the relationship in Young's moduli. Therefore, ReaxFF is confirmed to be a useful tool for studying the mechanical behavior of epoxies.

Publisher's Statement

© 2017 Wiley Periodicals. Publisher's version of record: http://dx.doi.org/10.1002/polb.24539

Publication Title

Journal of Polymer Science, Part B: Polymer Physics

Recommended Citation

Radue, M. S., Jensen, B. D., S, G., Klimek-McDonald, D. R., & Odegard, G. M. (2018). Comparing the mechanical response of di-, tri-, and tetra-functional resin Epoxies with reactive molecular dynamics. Journal of Polymer Science, Part B: Polymer Physics, 56(3), 255-264. http://doi.org/10.1002/polb.24539
Retrieved from: https://digitalcommons.mtu.edu/data-science-fp/41