Comparing the mechanical response of di‐, tri‐, and tetra‐functional resin epoxies with reactive molecular dynamics
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. © 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2018, 56, 255–264
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Nov 04, 2017
- Source ID
- 10.1002/polb.24539
Entities
People
- Benjamin D. Jensen
- Danielle R. Klimek‐McDonald
- Gregory Odegard
- Julia A. King
- Matthew S. Radue
- S. Gowtham
Organizations
- Air Force Office of Scientific Research
- Langley Research Center
- Michigan Technological University