Influence of Ni and N on generalized stacking-fault energies in Fe–Cr–Ni alloy: A first principle study

The alloying effects of Ni and N were examined in terms of the generalized stacking-fault (SF) energy (GSFE). GSFE is associated with the basal plane of Fe–Cr–Ni austenitic stainless steel. The GSFE profiles were obtained using first-principle calculations. The results show that Ni increases the intrinsic SF energy γisf and the unstable SF energy γus. N does the opposite. However, a γisf/γus ratio close to zero accompanies the addition of Ni or N. This ratio implies that deformation by partial dislocation is preferred. Overall, the effect of N on Fe–Cr–Ni alloys is more evident than that of Ni.