Tshwane, David MDima, Ratshilumela SMaleka, Prettier MMogakane, LethaboNgcobo, ThabaniMaphanga, Rapela R2025-02-272025-02-272024-07978-1-0370-2645-4http://hdl.handle.net/10204/14097The current work investigated the SiC(110)/Ti2AlV (110) interface using density functional theory. Adherence of the ceramic to the metal foundation is critical to the success of a metal/ceramic pair. Metal and ceramic must be compatible with each other in terms of chemistry, mechanics, heat, and appearance. To gain insight into the nature of the interface bonding and strength, the work of adhesion, density of states, work function, and Mulliken charge analysis were calculated using density functional theory and evaluated. The current results showed that the adhesion work for SiC/Ti2AlV interface depends on the interfacial distance. The covalent bonding properties of the atomic interface depend on the bond that forms between C-V and Al-Si. The DOS plot curves dropped at the Fermi level, indicating that Ti and V atoms lose electrons at the interface when they interact with Si and C atoms. The work function of the SiC/Ti2AlV (110) interface was found to be 4.473 eV, implying stable electronic state and chemical stability of the interface.AbstractenSiC(110)/Ti2AlVAdhesivesMetal/Ceramic pairMaterialsConference Presentationn/a