Investigation on the Marine Corrosion Behavior and Mechanism of Fe3O4 Film Using ReaxFF-MD

• Published in: Cai liao bao hu Vol. 57; no. 11; pp. 18 - 27
• Main Author: CHEN Xiangrui, CHEN Yang, WANG Bing, GU Bin
• Format: Journal Article
• Language: Chinese
• Published: Editorial Department of Materials Protection 01.11.2024
• Subjects: steel passivation film；fe3o4；marine corrosion；reaxff-md simulation；marine stress corrosion
• ISSN: 1001-1560
• DOI: 10.16577/j.issn.1001-1560.2024.0245

In order to explore more deeply and comprehensively the intrinsic mechanisms of corrosion behavior of steel in the marine environment，the ReaxFF molecular dynamics (ReaxFF-MD) method was employed to study the marine corrosion behavior of Fe3O4 in steel passivation film under different NaCl contents，temperatures and strain conditions.By characterizing the surface corrosion morphology，testing the quality loss curve，number density curve，radial distribution function (RDF) curve and simulating the atomic structure evolution at the reaction interface，the process and differences of Fe3 O4 marine corrosion behavior under different conditions were analyzed，and the mechanisms of Fe3O4 marine corrosion and the influence of different factors were revealed at the atomic scale.Results showed that the marine corrosion of Fe3O4 went through three stages: the adsorption stage of water molecules on the surface of Fe3O4 substrate in marine environment，the rapid corrosion stage of substrate and the corrosion saturation stage.Dur