ELECTRONIC STRUCTURE OF γ''''-PHASE IN SUPERALLOY CONTAINING Mg AND W

The calculation of electronic structure of γ'-Ni_3Al phase with or without Mg and W by theRecursion and LCAO methods clarified that Mg and W atoms lose their outer electrons par-tially after they entered γ'-Ni_3Al.It causes the reduction of the radii of the atoms.So it ispreferable for Mg atom to enter γ'-phase by the substitution.The interaction between Mg andγ'-phase matrix may be strengthened and a more stable structure of γ'-phase may be formedwhile Mg and W entered γ'-Ni_3Al simultaneously.