The ternary Ni-Al-Co embedded-atom-method potential for gamma/gamma ' Ni-based single-crystal superalloys: Construction and application

JP Du and CY Wang and T Yu, CHINESE PHYSICS B, 23, 033401 (2014).

DOI: 10.1088/1674-1056/23/3/033401

An Ni-Al-Co system embedded-atom-method potential is constructed for the gamma(Ni)/gamma' (Ni3Al) superalloy based on experiments and first- principles calculations. The stacking fault energies (SFEs) of the Ni(Co, Al) random solid solutions are calculated as a function of the concentrations of Co and Al. The calculated SFEs decrease with increasing concentrations of Co and Al, which is consistent with the experimental results. The embedding energy term in the present potential has an important influence on the SFEs of the random solid solutions. The cross-slip processes of a screw dislocation in homogenous Ni(Co) solid solutions are simulated using the present potential and the nudged elastic band method. The cross-slip activation energies increase with increasing Co concentration, which implies that the creep resistance of gamma(Ni) may be improved by the addition of Co.

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