Composition effect on elastic properties of model NiCo-based superalloys*

Abstract

NiCo-based superalloys exhibit higher strength and creep resistance over conventional superalloys. Compositional effects on elastic properties of the γ and γ′ phases in newly-developed NiCo-based superalloys were investigated by first-principles calculation combined with special quasi-random structures. The lattice constant, bulk modulus, and elastic constants vary linearly with the Co concentration in the NiCo solution. In the selected (Ni, Co)3(Al, W) and (Ni, Co)3(Al, Ti) model γ′ phase, the lattice constant, and bulk modulus show a linear trend with alloying element concentrations. The addition of Co, Ti, and W can regulate lattice mismatch and increase the bulk modulus, simultaneously. W-addition shows excellent performance in strengthening the elastic properties in the γ′ phase. Systems become unstable with higher W and Ni contents, e.g., (Ni0.75Co0.25)3(Al0.25 W0.75), and become brittle with higher W and Co addition, e.g., Co3(Al0.25 W0.75). Furthermore, Co, Ti, and W can increase the elastic constants on the whole, and such high elastic constants always correspond to a high elastic modulus. The anisotropy index always corresponds to the nature of Young’s modulus in a specific direction.