Dependence of mechanical properties on the site occupancy of ternary alloying elements in γ′-Ni3Al: Ab initio description for shear and tensile deformation

Dependence of mechanical properties on the site occupancy of ternary alloying elements in γ′-Ni₃Al: Ab initio description for shear and tensile deformation

Wen Minru¹, Xie Xing¹, Dong Huafeng^{1, †}, Wu Fugen², Wang Chong-Yu^{3, ‡}

Charge density difference of (1¯10 ) plane containing the alloying element for Ni₂₄Al₇Ru, Ni₂₄Al₇Zn, and stoichiometric Ni₃Al at [(a)–(c)] a strain of 0%, [(d)–(f)] a tensile strain of 8%, and [(g)–(i)] a shear strain of 18%. Positive (negative) values [e/(a.u.)³] denote charge accumulation (depletion).