Adhesion Analysis of Resin/Resin Interface by Molecular Dynamics Simulation

Abstract

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.

Adhesion analysis of silane coupling agent/copper interface with density functional theory

“…The DFT simulation is a quantum mechanical modeling method for investigating the electronic structure of many-body systems. On the other hand, a technique of a molecular dynamic simulation for determining the adhesion strength of metal/metal (Iwasaki, 1999(Iwasaki, , 2000(Iwasaki, , 2001(Iwasaki, and 2004, resin/metal (Iwasaki, 2009), resin/ceramics (Iwasaki, 2010), and resin/resin (Miyazaki, et al, 2012) interfaces has been carried out in the previous papers. Molecular dynamic simulation provides a step-by-step numerical solution for the classical equation of motion.…”

“…Molecular dynamic simulation provides a step-by-step numerical solution for the classical equation of motion. The organic material used as a subject of study in one of these previous papers was a high polymer resin (Miyazaki, et al, 2012), and it was applied thick on a substrate. Therefore, it is important to research the macro-dynamic characteristics of the high polymers at the interface.…”