Simulation Study of the Effect of Nanoporous Surfaces on the Adhesion Properties of Cross-Linked Polymer Networks.

We have investigated the effect of surface nanopores on the adhesion behavior between cross-linked polymer networks and metal substrates by molecular dynamics simulations. By increasing the cross-linking ratio of the polymer network, the fracture behavior in tensile mode changed from cohesive failure to interfacial failure. In the case of polymers without cross-links, the breaking strengths were almost the same for systems with flat and porous metal substrates. Conversely, in the case of cross-linked polymer networks, the tensile behavior for the porous metal substrates depended on the cross-linking ratio and structure of the polymer chains. For polymer networks consisting of long polymer chains, the force curves in extension mode before the yield points were almost the same for the systems regardless of the surface roughness caused by nanopores. Meanwhile, for highly cross-linked resin networks consisting of short rigid molecules, the yielding strength of the porous metal surfaces showed slightly higher values than that of the flat metal surfaces. The simulation results revealed that the adhesion behavior between cross-linked polymer networks and rough metal surfaces is related not only to the interfacial area but also to the detailed networking topology of the polymers.