Atomistic modeling of cross-linked epoxy polymer
Document Type
Conference Proceeding
Publication Date
1-1-2010
Abstract
Molecular Dynamics simulations are used to study cross-linking of an epoxy polymer. OPLS force field parameters are used for modeling a 2:1 stoichiometric mixture of epoxy resin and the cross-linking agent. The model has 17,928 united atoms and a static cross-linking method is used along with molecular minimization and molecular dynamics techniques to achieve two different cross-link densities. The cross-linked models can be used for understanding various phenomenon occurring in cross-linked epoxy resins at the atomic scale. Glass-transition temperature ranges of two differently cross-linked samples have been predicted using the models. These models will be used for studying aging behavior at the atomic level in epoxy materials and understanding the influence of aging on mechanical properties. Copyright © 2010 by Gregory M. Odegard.
Publication Title
Collection of Technical Papers - AIAA/ASME/ASCE/AHS/ASC Structures, Structural Dynamics and Materials Conference
Recommended Citation
Bandyopadhyay, A.,
Jensen, B.,
Valavala, P.,
&
Odegard, G.
(2010).
Atomistic modeling of cross-linked epoxy polymer.
Collection of Technical Papers - AIAA/ASME/ASCE/AHS/ASC Structures, Structural Dynamics and Materials Conference.
http://doi.org/10.2514/6.2010-2811
Retrieved from: https://digitalcommons.mtu.edu/michigantech-p/13965