Site preferences of alloying transition metal elements in Ni-based superalloy: A first-principles study |
(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 X–X separate distance: (a) spin-polarized calculations, (b) non-spin-polarized calculations. |