Abstract:
The Griffith fracture work and generalized stacking fault energy of γ-Al/γ’-Al
3 Sc(Er) phase boundary and the variation of Griffith fracture work and generalized stacking fault energy of γ-Al/γ’-Al
3 Sc under different Er segregation were studied by the first-principles calculation method. The results show that the shear resistance of the γ-Al/γ’-Al
3 Sc phase boundary is better than that of the γ-Al/γ’-Al
3 Er phase boundary, while the tensile resistance of the γ-Al/γ’-Al
3 Er phase boundary is better than that of the γ-Al/γ’-Al
3 Sc phase boundary. With the increase of Er segregation in the γ-Al/γ’-Al
3 Sc phase boundary structure, the Griffith fracture work and generalized stacking fault energy of the phase boundary are greatly improved. Further calculation of the ratio of Griffith fracture work to generalized stacking fault energy(G/B) shows that the segregation of Er increases the fracture work and shear strength of the γ-Al/γ’-Al
3 Sc phase boundary. The γ-Al/γ’-Al
3 Sc phase boundary with different orientations exhibits intrinsic brittleness, and the segregation of Er does not change the ductile-brittle properties of the phase boundary. The study can provide a reference for the regulation of phase boundary properties of Al-Sc alloys and the composition and structure design of high-performance and low-cost rare earth aluminum alloys.