Atomic-scale understanding of oxide growth and dissolution kinetics of Ni-Cr alloys.

ABSTRACT: Aqueous corrosion of metals is governed by formation and dissolution of a passivating, multi-component surface oxide. Unfortunately, a detailed atomistic description is challenging due to the compositional complexity and the need to consider multiple kinetic factors simultaneously. To this end, we combine experiments with a first-principles-derived, multiscale computational framework that transcends thermodynamic descriptions to explicitly simulate the kinetic evolution of surface oxides of Ni-Cr alloys as a function of composition, temperature, pH, and applied voltage. In the absence of pitting, we identify three distinct voltage regimes, which are kinetically dominated by oxide growth, dissolution, and competitive dissolution and reprecipitation. Evolving compositional gradients and oxid

SUBMITTER: Xiao P 

PROVIDER: S-EPMC11696368 | biostudies-literature | 2025 Jan

REPOSITORIES: biostudies-literature