Multiparadigm modeling of texture effects on pitting corrosion in ferritic stainless steel

Abstract

Abstract Texture has long been recognized as a critical factor influencing the physical processes and properties of condensed matter. In this study, we implemented a multiparadigm approach and introduce a robust methodology to investigate the effects of texture in corrosion, which overcomes the common limitations of quantum-based computational approaches in terms of time and system size. Our approach provides the same level of accuracy as atomistic calculations but with significantly less computational cost. The methodology, based on the finite element method (FEM), employs 3D digital representations of polycrystalline microstructures. As a proof of concept, we apply our approach to the case of pitting corrosion in ferritic stainless steel. As shown in the literature irregular pit growth patterns through pitting corrosion are primarily caused by texture. Our study reveals that texture has a significant impact on the pitting corrosion rate leading to a wide range of irregular pit growth patterns in polycrystals. Our findings are supported by atomistic calculations and experimental literature, demonstrating the validity of our approach.