2021/04/06 by Xiao Wan, Barış Demir, Wan, Xiao +7 · 1 citation
Engineering · Materials Science · #Epoxy Resin Curing Processes #FOS: Physical sciences #Graphene research and applications #Materials Science (cond-mat.mtrl-sci) #Thermal properties of materials
paper · pdf · doi:10.48550/arxiv.2104.02430
openalex publication_date 2021/04/06 · openalex created_date 2021/04/13 · openalex updated_date 2026/07/28
Epoxy resins are widely used polymer matrices for numerous applications. Despite substantial advances, the molecular-level knowledge-base required to exploit these materials to their full potential remains limited. A deeper comprehension of structure/property relationships in epoxy resins at the molecular level is critical to progressing these efforts. It can be laborious, if not impractical, to elucidate these relationships based on experiments alone. Here, molecular dynamics simulations are used to calculate and compare thermal conductivities and mechanical properties of an exemplar epoxy resin, Bisphenol F cross-linked with Diethyl Toluene Diamine, revealing these inter-relationships. Both elastic modulus and thermal transport of the epoxy resin show an increase with greater cross-linking. Specifically, decomposition of the thermal conductivity into different force contributions suggests that the bonded term contributes to an increase in the heat flux. These outcomes provide a foundation for designing and fabricating customized epoxy resins with desirable thermal and mechanical attributes.