Investigation on thermal properties of crosslinked epoxy resin by MD simulation

N. Liao, G.Q. Zhang, D. Pavel, O. Sluis, van der, K.M.B. Jansen, L.J. Ernst

Research output: Chapter in Book/Report/Conference proceedingConference contributionAcademicpeer-review

5 Citations (Scopus)


Behavior of epoxy resin is critical for performanceand reliability of electronic packages. The ability topredict properties of cross linked epoxy resin prior tolaboratory synthesis will facilitate the materials design. Theoretical studies in this field face a big challenge because there is no conventional way to build atomistic models of specific polymers, which form a network. Molecular dynamics (MD) is a potentially powerful method that can simulate the materials at atomic scale and it can be used to describe the performance and properties of a wide range of systems. In the present work, the properties of the cross-linked epoxy resin compound were predicted by MD simulations. Periodic amorphous structures of the cross-linked epoxy resincompound were simulated at various temperatures. Thecorrelation of the glass transition temperature (Tg) and properties of the cross-linked epoxy resin compoundwere investigated. The results show that Tg can beestimated by the plot of densities and non-bond energyat different temperatures. The Tg predicted was inagreement with the experimental data, which showsthat MD simulation is an effective tool to estimate theproperties of crosslinked epoxy resin.
Original languageEnglish
Title of host publicationProceedings of the 10th International Conference on Thermal, Mechanical and Multi-Physics Simulation and Experiments in Micro-Electronics and Micro-Systems (EuroSimE 2009), 26-29 April 2009, Delft, The Netherlands
Place of PublicationNetherlands, Delft
Publication statusPublished - 2009


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