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, ‡}

Correlations between (σFMNi3Al−X−σFMNi3Al)/σFMNi3Al expressed in percent (%) and (τFMNi3Al−X−τFMNi3Al)/τFMNi3Al expressed in percent (%) for all calculated Ni₃Al alloys. The black squares, red circles, and blue triangles represent systems with TM elements substituting the Al site, Ni1 site, and Ni2 site, respectively.