: Hölck, Ole; Wunderle, Bernhard

Abstract
This paper presents a combined experimental and simulative property analysis of cross-linked epoxy resins. Several different molecular modeling methods have been used to evaluate properties ranging from thermo-mechanical to diffusive properties, some of which have been found to produce good agreement between simulation and experiment, whereas others do show qualitative agreement and can thus be useful as a quick tendency assessment. The research has also brought forth a procedure to cross-linked structures complying strictly to three-dimensional boundary conditions: the special challenge lies in a cross-linking algorithm that produces cross-links that extend the network beyond the periodic unit cell, interconnecting the latter with its virtual images.