要約

The work investigates mechanisms of the epoxy matrix interaction with the surface of particles containing metals and their oxides by applying numerical simulation. Aluminum, aluminum oxide, titanium, and titanium oxide were analyzed as nanofillers modifying the adhesive compositions. The energy and strength characteristics of the interfacial layers in the filled epoxy adhesives have been studied in a computational experiment within the cluster method and approach of the microscopic coordinate of friction implemented in the original package of quantum-mechanical programs NDDO/sp-spd (Original..., 2009). These computer simulations resulted in the recommendations on the application of nanofillers of epoxy adhesives.