MD Simulation of Crosslinked Epoxy Resin at Different Temperatures

Epoxy resin is widely used in many electronic packages, the ability to predict properties of cross linked epoxy resin before experiments will facilitate the process of materials design. Molecular dynamics (MD) is a powerful method that can simulate the materials at atomic scale and it can be used to predict the performance and properties of a wide range of materials. In this work, the properties of the cross-linked epoxy resin compound at high temperature were studies by MD simulations. The relations of the glass transition temperature (Tg) and properties of the cross-linked epoxy resin were investigated. The results show that Tg can be estimated by the plot of non-bond energy at different temperatures, and consist with the experimental data.