Article
Applying reactive molecular dynamics to predict and compare the mechanical response of di-, tri-, and tetra-functional resin epoxies
American Society For Composites 30th Technical Conference On Composite Materials
Document Type
Conference Proceeding
Publication Date
1-1-2015
Disciplines
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 straining simulations, the Young’s modulus, yield point, and Poisson’s ratio are calculated and analyzed. The results demonstrate an increase in stiffness and yield strength with increasing resin functionality. Experimental comparisons show reasonable agreement, and therefore, this technique is confirmed to be a useful tool for understanding the structure-property relationships of epoxies.
Citation Information
Matthew S Radue, Benjamin D. Jensen, Gowtham S, Gregory M Odegard, et al.. "Applying reactive molecular dynamics to predict and compare the mechanical response of di-, tri-, and tetra-functional resin epoxies" American Society For Composites 30th Technical Conference On Composite Materials (2015) Available at: http://works.bepress.com/sgowtham/2/
Publisher's version of record: http://dpi-proceedings.com/index.php/ASC30/article/view/1478