Moisture transport and swelling stresses at moulding-compound substrate interfaces investigated by molecular modeling and finite element simulations

We have investigated the capability to predict moisture induced swelling of an epoxy by use of molecular dynamics in combination with finite element simulations with well agreeing results. Some open questions remain regarding reproducability, structural validity of molecular models and equilibrium conditions and structural acuracy and influence on the results, which will be subject of future investigations. But promising first results could be achieved which advance the understanding of the phenomenon of moisture induced swelling. Results on an investigation of enhanced transport at the interface showed a significant impact of swelling on the stresses at the interface, but only little influence on the concentration profile in the bulk. The discussion of the reasons may spark further experimental and simulative investigations to better understand mechanisms of moisture transport and swelling.