An atomistic insight into the corrosion of the oxide film in liquid lead–bismuth eutectic

Abstract

When used as a protective scale, the Fe₃O₄ layer covering the stainless steel surface in accelerator driven subcritical systems (ADS) is corroded by liquid lead–bismuth eutectics (LBE). By performing theoretical calculations, we reveal that both Pb and Bi at the interface between the LBE and the Fe₃O₄ scale, favorably adsorb onto the Fe₃O₄ surfaces, weakening the strength of Fe–O bonds nearby significantly. This facilitates the movement of iron atoms toward the deposited Pb(Bi) and away from the Fe₃O₄ surface, thus causing corrosion. Such corrosion behavior becomes severe if oxygen vacancies exist in the surface region.