Resin filling into nano-sized pore on metal surface analyzed by all-atom molecular dynamics simulation over a variety of resin and pore sizes

摘要

Nano-scale roughening of a metal surface emerges as an efficient scheme for better adhesion of the metal and resin. In the present work, we address the filling of a mixture of polyphenol and polyglycidylether of o-cresol formaldehyde novolac and a set of their oligomers into nano-sized pores on aluminum surface by conducting all-atom molecular dynamics simulation. A variety of resin and pore sizes were examined, and it was found that the pore is filled to several tens of % at practically employed pressure when the radius of gyration of resin is smaller than similar to 1/10 of the pore radius. An impractically high pressure is required for larger resins, on the other hand, and an efficient filling can be achieved only with a resin that is smaller in size than the pore by an order of magnitude. The stress map was also analyzed in and around the pore, and it was observed that the local stress is not distributed uniformly unless the resin is small. This indicates that a common rate of pushing does not lead to the relaxation of the resin structure, suggesting in turn that a more effective filling may be possible with reduced rate of pushing. (C) 2018 Elsevier Ltd. All rights reserved.