Theoretical Simulation of the Interaction between Cu and the Surface of Polyimides

Molecular mechanics simulation is used to study the static behavior of a metal Cu monolayer on the trilayer model of pyrometallic dianhydride-oxydianiline(PMDA-ODA). It is shown that the monolayer forms aggregates on the surface of PMDA-ODA. The reason is that the cohesive interaction between Cu atoms is stronger than the adhesive interaction between the Cu monolayer and the surface of PMDA-ODA. In the cohesion, the van der Waals interaction plays an important role, whereas in the adhesion, the electrostatic interaction is a dominant factor. Furthermore, by means of molecular dynamics simulation, the temperature influence on the interaction of Cu/PMDA-ODA interface is studied.