Molecular dynamics simulations of interfacial nanomechanics in Al/Ni structures: Adhesion, friction, and tension

Composite materials are widely utilized across various technological fields, including, but not limited to, the automotive and aerospace industries. Their performance is largely dictated by the interfacial mechanics of adhesion and friction between the contacting solid surfaces of their constituents. In this study, we investigated the interfacial characteristics of an aluminum/nickel (Al/Ni) interface, commonly used in nickel-coated carbon fiber-reinforced aluminum matrix composites. We employed a molecular dynamics simulation approach at both room and elevated temperatures to study the adhesion and friction forces at the Al/Ni interface. Additionally, we modeled the non-contact interactions using van der Waals forces. Furthermore, we analyzed the stress and deformation resulting from interfacial interactions and transverse loading. The results indicated that both adhesion and friction significantly influence interfacial behavior, as fracture was observed solely in the Al region near the interface. The observed failure mechanism ultimately influences the load transfer capability and the overall performance of composites incorporating Al/Ni interfaces. These findings contribute to a deeper understanding of complex, temperature-induced atomistic failure phenomena at the interface.