High-throughput first-principles study on the effect of Ni segregation on the formation of Cr-depleted zone and corrosion resistance of S32205 duplex stainless steels

Abstract

Recent studies have found that in the absence of Cr carbide precipitation, co-segregation of Cr and other elements at the interface between α-Fe and γ-Fe can also lead to the formation of Cr-depleted zones, leading to intergranular corrosion. The study employed three-dimensional atomic probes, focused ion beams, and high-throughput first-principles calculation techniques to investigate the impact of Ni atoms on the α-Fe/γ-Fe interface of UNS S32205 duplex stainless steels. The goal was to analyze the formation of Cr-depleted zones and interface corrosion resistance. The results indicate that both Ni and Cr atoms are segregated at the interface between α-Fe and γ-Fe phases; The strong interaction between Ni and Cr atoms hinders Cr segregation at the interface and slows down the formation of Cr-depleted zones; co-segregation of Ni and Cr can improve the stability of the α-Fe/γ-Fe phase interface, reduce the generation of microcracks, and reduce the stability of Cl atom adsorption in the cracks. This establishes the theoretical basis for further suppressing the formation of Cr-depleted zones and preventing intergranular corrosion.