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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]
Copyright of Journal of Nuclear Materials is the property of Elsevier B.V. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
Database: Engineering Source
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DbLabel: Engineering Source
An: 181488329
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  Data: Atomistic mechanism of activation controlled liquid metal corrosion at the Fe-Pb interface.
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  Data: <searchLink fieldCode="AR" term="%22Voronov%2C+Ilia+V%2E%22">Voronov, Ilia V.</searchLink><relatesTo>1,2</relatesTo> (AUTHOR)<i> ilya.v.voronov@gmail.com</i><br /><searchLink fieldCode="AR" term="%22Nikolaev%2C+Vladislav+S%2E%22">Nikolaev, Vladislav S.</searchLink><relatesTo>1,2</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Timofeev%2C+Alexey+V%2E%22">Timofeev, Alexey V.</searchLink><relatesTo>1,2,3</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Stegailov%2C+Vladimir+V%2E%22">Stegailov, Vladimir V.</searchLink><relatesTo>1,2,3</relatesTo> (AUTHOR)
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  Data: <searchLink fieldCode="JN" term="%22Journal+of+Nuclear+Materials%22">Journal of Nuclear Materials</searchLink>. Jan2025, Vol. 604, pN.PAG-N.PAG. 1p.
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  Data: <searchLink fieldCode="DE" term="%22Liquid+metals%22">Liquid metals</searchLink><br /><searchLink fieldCode="DE" term="%22Metal+activation%22">Metal activation</searchLink><br /><searchLink fieldCode="DE" term="%22Lead%22">Lead</searchLink><br /><searchLink fieldCode="DE" term="%22Molecular+dynamics%22">Molecular dynamics</searchLink><br /><searchLink fieldCode="DE" term="%22Crystal+grain+boundaries%22">Crystal grain boundaries</searchLink>
– Name: Abstract
  Label: Abstract
  Group: Ab
  Data: 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]
– Name: AbstractSuppliedCopyright
  Label:
  Group: Ab
  Data: <i>Copyright of Journal of Nuclear Materials is the property of Elsevier B.V. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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      – Type: doi
        Value: 10.1016/j.jnucmat.2024.155483
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      – Code: eng
        Text: English
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        PageCount: 1
        StartPage: N.PAG
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      – SubjectFull: Liquid metals
        Type: general
      – SubjectFull: Metal activation
        Type: general
      – SubjectFull: Lead
        Type: general
      – SubjectFull: Molecular dynamics
        Type: general
      – SubjectFull: Crystal grain boundaries
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      – TitleFull: Atomistic mechanism of activation controlled liquid metal corrosion at the Fe-Pb interface.
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            NameFull: Nikolaev, Vladislav S.
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            NameFull: Timofeev, Alexey V.
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            NameFull: Stegailov, Vladimir V.
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            – D: 15
              M: 01
              Text: Jan2025
              Type: published
              Y: 2025
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              Value: 604
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