Molecular dynamics study of thermal transport at interface between alumina and epoxy resin

Abstract

The study investigates heat transfer within a composite consisting of epoxy resin and alumina filler using all-atom molecular dynamics simulations. Various models of epoxy resin–alumina filler interfaces were analyzed, both with and without silane coupling agents (SCAs), to assess thermal conductivity and resistance. The results reveal that the presence of SCAs enhances heat transfer at the resin/filler interface. Conversely, models lacking SCAs exhibit a distinct temperature gap, indicating thermal resistance. In addition, the study suggests that effective heat transfer in polymer composites is influenced not only by molecular coupling at interfaces but also by the alignment of resin polymers.