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Waterside anti-corrosion of Fe-based alloys is one of the great challenges for supercritical water reactors. Herein, an improved Fe-H₂O reactive force field (ReaxFF) is constructed to understanding the Fe corrosion mechanism at the atomic scale. Using molecular dynamics simulations, the corrosion of Fe (1 0 0) and Fe (1 1 0) in supercritical water was investigated. It was found that oxidation and hydrogen evolution reactions occurred along with Fe dissolution; the corrosion rate on Fe (1 0 0) was faster than that on Fe (1 1 0) in the early stage, but the reverse occurred on a longer time scale; and the precipitation of ferrous hydroxide at the initial stage led to the formation of an oxidation layer, where FeO and Fe₃O₄ were the dominant products. The present ReaxFF can become a crucial tool for corrosion research on Fe-based alloys.