Adhesion Analysis of Resin/Resin Interface by Molecular Dynamics Simulation

概要

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Nanotechnology devices with strong adhesion strength are required due to the miniaturization and reduction of the thickness of electronic equipment. In this paper, a technique for using a molecular dynamics simulation to analyze the adhesion of the interface between adhesive and polyimide, that is the resin/resin interface, has been proposed. It is difficult to make the resin/resin interface when we perform a simulation because the structure of resin is complicated and the resin doesn't have a regular configuration. We made it possible to performed adhesion analysis of resin/resin interface by establishing a method for modeling the interface. We calculated the adhesion energy at the interface between three candidate adhesives (polyamide-imide, phenoxy resin, polymethyl methacrylate) and polyimide in order to evaluate the adhesion strength at the interface. The adhesion energy obtained from the molecular dynamic simulation increased in the order of polyamide-imide/polyimide > phenoxy resin/polyimide > polymethyl methacrylate/polyimide. This order agrees with the experimental result. We also showed that the adhesive with high adhesion strength had more atomic pairs in which the distance between an adhesive carbon atom and a polyimide carbon atom was less than 5 Å and interacted with the polyimide more. Our simulation method is effective for selecting the best material with the highest adhesion strength.