Liberalizing the effects of Al and Cr in coatings for enhanced interface stability with Mo-rich Ni3Al-based superalloys

The interfacial behaviors between protective coatings and substrate single-crystal superalloys significantly impact their service performances. This work focuses on the elements interdiffusion and microstructural evolution at the interface between a NiCrAlY coating and a series of high-Mo Ni3Al-based single-crystal superalloys, through the coupled phase-field simulations and DICTRA kinetics calculations of their model systems. The critical roles of Al and Cr played in the microstructural evolution at coating/superalloy interface have been confirmed, which requires the appropriate content decreases of Al and Cr in the coating at 1100 °C. However, the addition of Mo reduces the driving force of element diffusion from coating to substrate by increasing the activities of Al and Cr in superalloy. Moreover, increasing the Mo content in superalloy from 8 wt% to 10 wt% could also counteract the promoting effect of Al on Ni mobility and mitigate the γ′ coarsening and detrimental TCP precipitation. Therefore, the effects of Mo enable the reasonable increase of Al content in coating to better balance the interfacial stability and oxidation resistance of coated superalloy, besides its advantage in reducing the anisotropy of TCP precipitate. The obtained interfacial evolution mechanisms resulting from the phase transformation thermodynamics and element interdiffusion kinetics are expected to aid the coating design for advanced single-crystal superalloys servicing at ultra-high temperature.