Site preferences of alloying transition metal elements in Ni-based superalloy: A first-principles study

Lu Baokun¹, Wang Chong-Yu^{1, †}, Du Zhihui²

The binding energies between X(Re, W, Ta, Ru, Mo, Co, Cr, Al)–Y(Re, W, Ta, Ru, Mo, Co, Cr, Al) pairs in Ni₁₀₆XY system at 1^st NN distance. The blue histogram represents the result of spin-polarized calculation, and the red histogram represents the result of non-spin-polarized calculation.