Tailoring precipitation‐strengthening in Ir‐based ternary alloys: a first‐principles approach to L1 2 phase engineering

Abstract Iridium(Ir)‐based superalloys with γ/γ' two‐phase microstructure are recognized as next‐generation high‐temperature materials for aerospace engines operating above 1500 °C. The strengthening phases can markedly enhance the mechanical strength of alloys. However, these phases exhibit significant brittleness, and their properties in Ir‐based alloys remain insufficiently investigated. Here, the high‐throughput calculations were employed to screen the potential γ' phases for Ir 3 X (X = Al, Si, Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Y, Zr, Nb, Mo, Tc, Ru, Rh, Pd, Ag, Cd, La, Hf, Ta, W, Re, Os, Pt, Au, Th) through systematic assessment of phase stability, melting points, shear modulus and anti‐phase…