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Predicting thermo-mechanical response of crosslinked epoxy using ReaxFF
55th AIAA/ASME/ASCE/AHS/ASC Structures, Structural Dynamics, and Materials Conference
  • Gregory M Odegard, Michigan Technological University
  • Benjamin D. Jensen, Michigan Technological University
  • Gowtham S, Michigan Technological University
  • 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
1-1-2014
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.

Publisher's Statement

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

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/