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Atomistic mechanism of activation controlled liquid metal corrosion at the Fe-Pb interface.

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Title: Atomistic mechanism of activation controlled liquid metal corrosion at the Fe-Pb interface.
Authors: Voronov, Ilia V.1,2 (AUTHOR) ilya.v.voronov@gmail.com, Nikolaev, Vladislav S.1,2 (AUTHOR), Timofeev, Alexey V.1,2,3 (AUTHOR), Stegailov, Vladimir V.1,2,3 (AUTHOR)
Source: Journal of Nuclear Materials. Jan2025, Vol. 604, pN.PAG-N.PAG. 1p.
Subjects: Liquid metals, Metal activation, Lead, Molecular dynamics, Crystal grain boundaries
Abstract: A bcc iron bicrystal in contact with liquid lead is studied in molecular dynamics simulations to describe the atomistic mechanism of liquid metal corrosion in the activation controlled case. In this process, the main structural features involved are Fe grain boundaries and Fe-Pb interfaces. The atomistic model considered reveals that the interplay of atomic processes such as surface self-diffusion of Fe and dissolution of Fe into Pb determines the mechanism and kinetics law of liquid metal corrosion. Analysis of the proposed mechanism explains the dependence between the kinetics of liquid metal corrosion and the grain size of the specimen.   • Pb atoms penetrate into the iron grain boundary after dissolution and diffusion of Fe atoms at the interface. • Interplay of Fe dissolution and surface self-diffusion determines the kinetics law of liquid metal corrosion. • Theory predicts that liquid metal corrosion rate increases with the Fe grain size decrease. [ABSTRACT FROM AUTHOR]
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Database: Engineering Source
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Abstract:A bcc iron bicrystal in contact with liquid lead is studied in molecular dynamics simulations to describe the atomistic mechanism of liquid metal corrosion in the activation controlled case. In this process, the main structural features involved are Fe grain boundaries and Fe-Pb interfaces. The atomistic model considered reveals that the interplay of atomic processes such as surface self-diffusion of Fe and dissolution of Fe into Pb determines the mechanism and kinetics law of liquid metal corrosion. Analysis of the proposed mechanism explains the dependence between the kinetics of liquid metal corrosion and the grain size of the specimen.   • Pb atoms penetrate into the iron grain boundary after dissolution and diffusion of Fe atoms at the interface. • Interplay of Fe dissolution and surface self-diffusion determines the kinetics law of liquid metal corrosion. • Theory predicts that liquid metal corrosion rate increases with the Fe grain size decrease. [ABSTRACT FROM AUTHOR]
ISSN:00223115
DOI:10.1016/j.jnucmat.2024.155483