Site preferences of alloying transition metal elements in Ni-based superalloy: A first-principles study
Lu Baokun1, Wang Chong-Yu1, †, Du Zhihui2
       

(color online) The binding energies between Re–Re, W–W, and Ta–Ta pairs in a 3 × 3 × 3 fcc Ni supercell containing 108 atoms as a function of XX separate distance: (a) spin-polarized calculations, (b) non-spin-polarized calculations.