The Effects of Edge Dislocations on The Corrosion Behavior of Pure Iron in Liquid Lead-Bismuth Eutectic: A Molecular Dynamics Study
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68407700%3A21230%2F24%3A00378011" target="_blank" >RIV/68407700:21230/24:00378011 - isvavai.cz</a>
Result on the web
<a href="https://doi.org/10.1016/j.anucene.2024.110644" target="_blank" >https://doi.org/10.1016/j.anucene.2024.110644</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.anucene.2024.110644" target="_blank" >10.1016/j.anucene.2024.110644</a>
Alternative languages
Result language
angličtina
Original language name
The Effects of Edge Dislocations on The Corrosion Behavior of Pure Iron in Liquid Lead-Bismuth Eutectic: A Molecular Dynamics Study
Original language description
The effect of liquid lead-bismuth eutectic (LBE) on the corrosion evolution of iron-based materials with varying densities of edge dislocation defects was studied. Molecular dynamics simulations were conducted at temperatures ranging from 823 K to 1173 K, and the process of penetration of Pb and Bi atoms at the dislocation core was analyzed. The results indicated that Fe atoms near the dislocation core have the lowest substitution energy (-4.79 eV/atom), making them more likely to be replaced by Pb and Bi atoms. Moreover, it was found that the increase in dislocation density did not result in a high penetration depth of LBE atoms, attributed to the interaction of dislocations. These findings provide crucial insights into the LBE corrosion mechanism in iron-based materials with dislocation defects.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
20501 - Materials engineering
Result continuities
Project
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2024
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Annals of Nuclear Energy
ISSN
0306-4549
e-ISSN
1873-2100
Volume of the periodical
206
Issue of the periodical within the volume
October
Country of publishing house
GB - UNITED KINGDOM
Number of pages
10
Pages from-to
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UT code for WoS article
001339152600001
EID of the result in the Scopus database
2-s2.0-85193499140