Abstract
While the effect of Pt on the adhesive strength of the γ′-Ni3Al/Al2O3 (coating/oxide) interface of thermal barrier coatings (TBCs) has gradually been verified, the exact underlying mechanism is not yet fully understood. The present study investigates the chemical bonding mechanism of the interface by means of first-principle molecular dynamics, modelling the room temperature interfacial microstructure after a temperature induced phase transition and utilising the deformation energy to evaluate the adhesive strength of the coating/oxide interface. A theoretical benchmark is provided, which is that the adhesive strength of 12 wt-% Pt addition triples that of Pt-free. According to the analysis of chemical bonds, the Pt induced reinforcement of the Al oxidation plays an important role in enhancing the interface’s adhesive strength. A theoretical interpretation of the unit cell phase transition mechanism on the TBCs’ failure is also illustrated.
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