Article
Predicting thermo-mechanical response of crosslinked epoxy using ReaxFF
55th AIAA/ASME/ASCE/AHS/ASC Structures, Structural Dynamics, and Materials Conference
Document Type
Conference Proceeding
Publication Date
1-1-2014
Disciplines
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.
Citation Information
Gregory M Odegard, Benjamin D. Jensen, Gowtham S, Jianyang Wu, et al.. "Predicting thermo-mechanical response of crosslinked epoxy using ReaxFF" 55th AIAA/ASME/ASCE/AHS/ASC Structures, Structural Dynamics, and Materials Conference (2014) Available at: http://works.bepress.com/sgowtham/6/
Publisher's version of record: https://doi.org/10.2514/6.2014-0467