The Effects of Edge Dislocations on The Corrosion Behavior of Pure Iron in Liquid Lead-Bismuth Eutectic: A Molecular Dynamics Study

Kód výsledku v 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>

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

The Effects of Edge Dislocations on The Corrosion Behavior of Pure Iron in Liquid Lead-Bismuth Eutectic: A Molecular Dynamics Study

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

The Effects of Edge Dislocations on The Corrosion Behavior of Pure Iron in Liquid Lead-Bismuth Eutectic: A Molecular Dynamics Study

Popis výsledku anglicky

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.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

20501 - Materials engineering

Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2024

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Annals of Nuclear Energy

ISSN

0306-4549

e-ISSN

1873-2100

Svazek periodika

206

Číslo periodika v rámci svazku

October

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

10

Strana od-do

—

Kód UT WoS článku

001339152600001

EID výsledku v databázi Scopus

2-s2.0-85193499140