Abstract
A technology for efficiently designing a multilayer metal film with strong adhesion to a soft resin was developed by combining a molecular simulation with an orthogonal array. In this technique, the adhesion strength of the interface between the metal film and resin is evaluated by calculating the adhesive fracture energy by use of a molecular-dynamics simulation. The most significant factor in the adhesion strength can be found by using an orthogonal array. This paper describes an application of this technique to the design of a metal film with strong adhesion to a soft resin made of hydrocarbon chains. By carrying out a sensitivity analysis with the orthogonal array, the mismatches among four metal-film factors (the short-side and long-side lattice mismatches with the resin ⊿a and ⊿b values, the surface energy density, G , and the cohesive energy, H of an atomic-layer laminated metal film) were found to be the most dominant factors in the adhesion strength. The author also found that reducing the mismatches is effective for increasing the adhesion strength. The results of molecular-dynamics simulations showed that a copper/cobalt/nickel-laminated film is the most appropriate structure with strong adhesion to the hydrocarbon-chain-based resin.
