The interfacial structure of Al/Al4C3 in graphene/Al composites prepared by selective laser melting: First-principles and experimental

The graphene (Gr) reacted with Al, and the Al4C3 phase was precipitated during selective laser melting (SLM). The interfacial structure of Al/Al4C3 was calculated by the first principle. The degree mismatch between Al (1 1 1) and Al4C3 (0 0 0 1) interface was lowest. Al (1 1 1)/Al4C3 (0 0 0 1) interface models with different stacking sequences (top-site, center-site, and hollow-site) of different terminations (Altermination and C-termination) were established. C-termination-center-sited interface has largest work of adhesion, and interfacial energy of this model is lower than that of alpha-Al/Al melt (0.151/m(2)), so that alpha-Al nucleus tend to form on the C-termination-center-sited Al4C3 (0 0 0 1). Al-C covalent bonds and Al-Al metallic bonds are formed across interface, which increased interfacial bonding strength. (C) 2019 Elsevier B.V. All rights reserved.