First-principles evaluation of the effect of alloying elements on the lattice parameter of a 23Cr25NiWCuCo austenitic stainless steel to model solid solution hardening contribution to the creep strength

By the use of first-principles calculations based on density functional theory, lattice misfit parameters for alloying elements in the austenitic stainless steel 23Cr25NiWCuCo have been derived. These lattice misfit parameters have been applied to determine the solid solution hardening of the elements W, Nb, and Cu in the steel. The model for solid solution hardening is based on work by Hirth and Lothe, where solutes are creating Cottrell clouds around the dislocations and slow down their motion. The model is also verified by comparison to creep tests for Ni–20%Cr and Ni–20%Cr–6W, where W is almost completely in solid solution and no other strengthening mechanism than solid solution hardening should be active. The contribution from the interstitial elements C and N to the solid solution hardening is found to be negligibly small for the studied steel.