A new scenario for ‹c› vacancy loop formation ...
Document type :
Article dans une revue scientifique: Article original
Permalink :
Title :
A new scenario for ‹c› vacancy loop formation in zirconium based on atomic-scale modeling
Author(s) :
Christiaen, Benjamin [Auteur]
Unité Matériaux et Transformations - UMR 8207 [UMET]
Domain, Christophe [Auteur]
Matériaux et Mécanique des Composants [EDF R&D MMC]
Thuinet, Ludovic [Auteur]
Unité Matériaux et Transformations - UMR 8207 [UMET]
Ambard, A. [Auteur]
Matériaux et Mécanique des Composants [EDF R&D MMC]
Legris, Alexandre [Auteur]
Unité Matériaux et Transformations - UMR 8207 [UMET]
Unité Matériaux et Transformations (UMET) - UMR 8207
Unité Matériaux et Transformations - UMR 8207 [UMET]
Domain, Christophe [Auteur]

Matériaux et Mécanique des Composants [EDF R&D MMC]
Thuinet, Ludovic [Auteur]

Unité Matériaux et Transformations - UMR 8207 [UMET]
Ambard, A. [Auteur]
Matériaux et Mécanique des Composants [EDF R&D MMC]
Legris, Alexandre [Auteur]

Unité Matériaux et Transformations - UMR 8207 [UMET]
Unité Matériaux et Transformations (UMET) - UMR 8207
Journal title :
Acta Materialia
Abbreviated title :
Acta Materialia
Pages :
93-106
Publisher :
Elsevier BV
Publication date :
2019-10
ISSN :
1359-6454
English keyword(s) :
Zirconium;Dislocation loop;DFT;Elasticity;Stacking fault pyramids
HAL domain(s) :
Chimie/Matériaux
English abstract : [en]
The growth of zirconium alloys under irradiation is a phenomenon experimentally identified and associated with the development beyond a threshold dose of dislocation loops with vacancy character having a Burgers vector ...
Show more >The growth of zirconium alloys under irradiation is a phenomenon experimentally identified and associated with the development beyond a threshold dose of dislocation loops with vacancy character having a Burgers vector with a component parallel to the c axis. In this work, by combining atomic simulations (DFT and empirical potential) and continuous modeling, we show that prismatic stacking fault pyramids or bipyramids whose base rests on the basal plane of the hcp structure are likely precursors to the formation of ‹c› vacancy loops. In other words, these would not be formed by progressive accretion of vacancies but rather by collapse of the pyramids or bipyramids beyond a certain size. This mechanism could explain the fact that the ‹c› vacancy loops are never observed below a size of the order of 10 nm and their appearance at high fluence.Show less >
Show more >The growth of zirconium alloys under irradiation is a phenomenon experimentally identified and associated with the development beyond a threshold dose of dislocation loops with vacancy character having a Burgers vector with a component parallel to the c axis. In this work, by combining atomic simulations (DFT and empirical potential) and continuous modeling, we show that prismatic stacking fault pyramids or bipyramids whose base rests on the basal plane of the hcp structure are likely precursors to the formation of ‹c› vacancy loops. In other words, these would not be formed by progressive accretion of vacancies but rather by collapse of the pyramids or bipyramids beyond a certain size. This mechanism could explain the fact that the ‹c› vacancy loops are never observed below a size of the order of 10 nm and their appearance at high fluence.Show less >
Language :
Anglais
Peer reviewed article :
Oui
Audience :
Internationale
Popular science :
Non
Administrative institution(s) :
Université de Lille
CNRS
INRA
ENSCL
CNRS
INRA
ENSCL
Collections :
Research team(s) :
Métallurgie Physique et Génie des Matériaux
Submission date :
2020-02-13T15:35:05Z
2020-02-28T15:57:07Z
2020-02-28T15:57:07Z