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(3d, 4d, 5d transition metals and Al)–Y(3d, 4d, 5d transition metals and Al) pairs in Ni₁₀₆XY system at 1^st NN distance by spin polarized calculation.