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The single-crystal and polycrystalline elastic parameters of paramagnetic Fe0.6−xCr0.2Ni0.2Mx (M = Al, Co, Cu, Mo, Nb, Ti, V, and W; 0 ≤ x ≤ 0.08) alloys in the face-centered cubic (fcc) phase were derived by first-principles electronic structure calculations using the exact muffin-tin orbitals method. The disordered local magnetic moment approach was used to model the paramagnetic phase. The theoretical elastic parameters of the present Fe–Cr–Ni-based random alloys agree with the available experimental data. In general, we found that all alloying elements have a significant effect on the elastic properties of Fe–Cr–Ni alloy, and the most significant effect was found for Co. A correlation between the tetragonal shear elastic constant C′ and the structural energy difference ∆E between fcc and bcc lattices was demonstrated. For all alloys, small changes in the Poisson’s ratio were obtained. We investigated the brittle/ductile transitions formulated by the Pugh ratio. We demonstrate that Al, Cu, Mo, Nb, Ti, V, and W dopants enhance the ductility of the Fe–Cr–Ni system, while Co reduces it. The present theoretical data can be used as a starting point for modeling the mechanical properties of austenitic stainless steels at low temperatures.

Elastic Parameters of Paramagnetic Fe–20Cr–20Ni-Based Alloys: A First-Principles Study