Abstract
Structural strain of steel is a general phenomenon in reinforced concrete, which significantly affects the performance of the passivation film but is still unclearly due to its nanoscale characteristics. In this work, the process of the chloride attack on γ-FeOOH is revealed by the molecular dynamics simulation with different structural strains. It is found that the properties of the γ-FeOOH structure changed significantly with the increase of strain. In the low strain status, the γ-FeOOH structure exhibit typical ductility. However, it exhibits obvious brittleness in the high strain state. The analyses of molecular interaction indicate that the chloride is easier to penetrate the layer structure of γ-FeOOH in high strain status, thus resulting in a huge shift in the γ-FeOOH properties. The generation of iron hydroxyl induces the penetration of chloride ions and is regarded as the origin of the γ-FeOOH deterioration.
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