20th International Metallurgy & Materials Congress, 10 - 12 June 2021, pp.483
It is well accepted that the superior mechanical properties of Ni-based superalloys can be further enhanced by alloying element addition which leads to formation of coherently distributed γ'-Ni3Al precipitates within γ-Ni matrix. Depending on the site and phase preferences of alloying elements, novel types of these materials can be developed. The current study aims to reveal site and phase preferences of X = Mo element via first-principles calculations and energy-dispersive X-ray spectroscopy (EDS) technique. To conclude, X = Mo atoms prefer to occupy Al sites of γ' precipitates and participate into γ matrix.