Titre :

Sessile ⟨100⟩ self-interstitial clusters with non-parallel edge dumbbells in irradiated bcc Fe and other metals

Auteur(s) :

Klaver, T.P.C. [Auteur]
Unité Matériaux et Transformations - UMR 8207 [UMET]
IT4Innovations - National Supercomputing Center [Ostrava]
Domain, Christophe [Auteur]
528445|||Matériaux et Mécanique des Composants [EDF R&D MMC] (VALID)
Etude et Modélisation des Mécanismes de Vieillissement des Matériaux [EM2VM]
Becquart, Charlotte [Auteur]
1002334|||Unité Matériaux et Transformations - UMR 8207 [UMET] (VALID)
Etude et Modélisation des Mécanismes de Vieillissement des Matériaux [EM2VM]

Titre de la revue :

Scripta Materialia

Numéro :

255

Pagination :

116353

Éditeur :

Elsevier

Date de publication :

2025-01-15

ISSN :

1359-6462

Mot(s)-clé(s) en anglais :

iron
self-interstitials
radiation damage
density functional theory

Discipline(s) HAL :

Chimie/Matériaux
Physique [physics]/Matière Condensée [cond-mat]/Science des matériaux [cond-mat.mtrl-sci]

Résumé en anglais : [en]

Density Functional Theory calculations of self-interstitial atom clusters in bcc Fe unexpectedly show that from ∼9–14 self-interstitial atoms, an intriguing new family of sessile ⟨100⟩ clusters, surrounded by ⟨110⟩ dumbbells, ...
Lire la suite >Density Functional Theory calculations of self-interstitial atom clusters in bcc Fe unexpectedly show that from ∼9–14 self-interstitial atoms, an intriguing new family of sessile ⟨100⟩ clusters, surrounded by ⟨110⟩ dumbbells, are more stable than highly mobile clusters of parallel ⟨111⟩ dumbbells. The ⟨110⟩ edge dumbbells find a favorable location in terms of strain energy on the tensile side around the edges of the ⟨100⟩ center, thus stabilizing the clusters. These sessile clusters might explain resistivity recovery results that suggested an absence of glissile self-interstitial clusters up to large cluster sizes in irradiated Fe, while smaller self-interstitial atom clusters likely would have been present. The mechanism of non-parallel edge interstitials stabilizing an otherwise higher energy interstitial loop is also found in some fcc metals.Lire moins >

Langue :

Anglais

Comité de lecture :

Oui

Audience :

Internationale

Vulgarisation :

Non

Établissement(s) :

Université de Lille
CNRS
INRAE
ENSCL

Collections :

• Unité Matériaux et Transformations (UMET) - UMR 8207

Équipe(s) de recherche :

Métallurgie Physique et Génie des Matériaux

Date de dépôt :

2024-09-09T08:39:42Z
2024-09-10T13:16:38Z
2024-09-10T13:41:22Z