Molecular dynamics simulation for epoxy-based nanocomposites

Nanocomposites with nano-filler and thermosetting resins such as epoxy are the promising materials for the insulating materials. To achieve the good properties of nanocomposites, it is important to control the interfaces between nano-filler surface and the matrix resins. To clarify the role of nano scale interface on macroscopic properties, we have conducted a molecular dynamics simulation with using coarse graining method (bead-spring model). We have investigated the molecular motion near the interface between nano-fillers and matrix thermosetting resins. It was observed that the mobility of the molecules of matrix resin close to the nano-filler surfaces is different from the bulk regions.