APFIM investigations on site occupancies of the ternary alloying elements Cr, Fe, and Re in NiAl.

The site occupancies of the transition metals Cr, Fe, and Re dissolved in NiAl of stoichiometric composition have been determined by atomic layer resolved atom probe field-ion microscopy (APFIM). The investigations were supported by X-ray diffraction studies to evaluate the lattice parameters. These are influenced by atomic size effects and constitutional lattice defects like Ni antistructure atoms in the Al sublattice and vacancies in the Ni sublattice. The APFIM results were compared with ALCHEMI data and calculated site preference energies published in the literature. Chromium additions to stoichiometric NiAl with 0.8 at% in solid solution exhibit a strong preference for Al sites. The lattice parameter of NiAl(Cr) solid solution is decreased. Iron atoms dissolved in higher concentrations of 5 at % in NiAl are almost equally distributed within both sublattices. They are possessing a weak preference for Al sites, which causes a lattice expansion of NiAl(Fe) solid solution. ALCHEMI results and site preference energy data show a strong site preference of Cr atoms for the Al sublattice. In contrast, iron atoms exhibit a weak site preference for Ni sites depending upon the stoichiometry of the NiAl host lattice. Re solutes in low concentrations of about 0.2 at % in NiAl possess a strong site preference for the Ni sublattice. The increase of the lattice parameter of NiAl(Re) is due to the pronounced size effect of Re atoms. For these species no ALCHEMI and site preference energy data are available in the literature.