W. T. Geng

Grain-boundary-induced Fe2CrNi-like ordering in austenitic stainless steels revealed by DFT-based Ising optimization

Predicting segregation behavior in concentrated multicomponent systems remains challenging due to strong solute–solute interactions and vast configuration space. Here, we show that in austenitic Fe0.8 − xCr0.2Nix (x = 0.075–0.15) stainless steels, segregation at a low-energy Σ5(2...