Molecular Dynamics Study on the Effect of Lattice Mismatch on Adhesion Strength between Ceramics and Organic Materials

Abstract

This paper describes a molecular-dynamics study on the relationship between lattice mismatch and adhesion strength of interfaces between organic materials and ceramics. Aromatic resins with benzene-ring (phenyl-ring) connected structures are used as examples of organic materials. A lattice constant of the aromatic resins is defined as the distance between the second-nearest-neighbor carbon atom pairs of a benzene ring (phenyl ring). The value of the lattice constant of a wholly aromatic polyester resin is about 0.24 nm. On the other hand, a lattice constant of ceramics is defined as the distance between the nearest neighbor atoms in the crystal plane connected with the resin. The lattice constants of the SiO₂(111) and TiO₂(111) planes are about 0.253 nm and 0.295 nm, respectively. The adhesion of aromatic polyester resin with the SiO₂(111) plane is stronger than that with the TiO₂(111) plane because the lattice mismatch of the resin with the SiO₂(111) plane is smaller than that with the TiO₂(111) plane. Reducing the lattice mismatch is found to be effective in strengthening the adhesion.