Title

Predicting thermo-mechanical response of crosslinked epoxy using ReaxFF

Authors

Gregory M. Odegard, Michigan Technological UniversityFollow
Benjamin D. Jensen, Michigan Technological University
Gowtham S, Michigan Technological UniversityFollow
Jianyang Wu, Norwegian University of Science and Technology
Jianying He, Norwegian University of Science and Technology
Zhiliang Zhang, Norwegian University of Science and Technology

Document Type

Conference Proceeding

Publication Date

1-2014

Abstract

The development of improved epoxy resins can be greatly facilitated using molecular dynamics (MD) techniques. Because molecular-level failure events can play a significant role in epoxy mechanical behavior, the reactive force field (ReaxFF) is an ideal tool for MD simulations of crosslinked epoxies. The results of this study demonstrate that mechanical stiffness and strength values predicted with MD using ReaxFF show close agreement with experiment. The results also indicate that despite the inherently large time-scale differences between experiments and MD modeling, the mechanical response from the vastly different characteristic strain rates can be easily correlated.

Publisher's Statement

Publisher's version of record: https://doi.org/10.2514/6.2014-0467

Publication Title

55th AIAA/ASME/ASCE/AHS/ASC Structures, Structural Dynamics, and Materials Conference

Recommended Citation

Odegard, G. M., Jensen, B. D., S, G., Wu, J., He, J., & Zhang, Z. (2014). Predicting thermo-mechanical response of crosslinked epoxy using ReaxFF. 55th AIAA/ASME/ASCE/AHS/ASC Structures, Structural Dynamics, and Materials Conference. http://doi.org/10.2514/6.2014-0467
Retrieved from: https://digitalcommons.mtu.edu/data-science-fp/8