<110>{110} edge dislocations in strontium ...
Document type :
Article dans une revue scientifique: Article original
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Title :
<110>{110} edge dislocations in strontium titanate: Charged vs neutral, glide vs climb
Author(s) :
Hirel, Pierre [Auteur]
Unité Matériaux et Transformations (UMET) - UMR 8207
Cordier, Patrick [Auteur]
Institut universitaire de France [IUF]
Unité Matériaux et Transformations (UMET) - UMR 8207
Carrez, Philippe [Auteur]
Unité Matériaux et Transformations (UMET) - UMR 8207

Unité Matériaux et Transformations (UMET) - UMR 8207
Cordier, Patrick [Auteur]

Institut universitaire de France [IUF]
Unité Matériaux et Transformations (UMET) - UMR 8207
Carrez, Philippe [Auteur]

Unité Matériaux et Transformations (UMET) - UMR 8207
Journal title :
Acta Materialia
Abbreviated title :
Acta Materialia
Volume number :
285
Pages :
120636
Publisher :
Elsevier
Publication date :
2025-02-15
ISSN :
1359-6454
English keyword(s) :
Numerical simulation
SrTiO3
Dislocation
SrTiO3
Dislocation
HAL domain(s) :
Physique [physics]/Matière Condensée [cond-mat]/Science des matériaux [cond-mat.mtrl-sci]
Planète et Univers [physics]/Sciences de la Terre
Planète et Univers [physics]/Sciences de la Terre
English abstract : [en]
The ductile deformation of strontium titanate SrTiO3 at low temperature (T⪅ 1000 K) is commonly associated with the activity of dislocations gliding in {110} slip planes. While dislocations with pure screw character keep ...
Show more >The ductile deformation of strontium titanate SrTiO3 at low temperature (T⪅ 1000 K) is commonly associated with the activity of dislocations gliding in {110} slip planes. While dislocations with pure screw character keep essentially the same dissociated core structure in the whole temperature range, dislocations with edge character may adopt different atomic configurations, associated with different charge states and different mobilities. In this work we use atomic-scale simulations to investigate the core structure of charged and neutral edge dislocations. We report a new possible dislocation core that is charge-neutral, dissociated, and with the lowest Peierls stress reported so far, thus making it an efficient component of plastic deformation. In comparison, dislocations carrying a positive charge are slightly less mobile, while those with negative charge have a very low mobility. Our results indicate that glide of charge-neutral dislocations is favoured, and that they may locally acquire a charge by interacting with vacancies all while remaining glissile. Finally, we investigate edge dislocations that are dissociated in their climb plane, and confirm that they are energetically more favourable than their glissile counterparts. Computing the activation energy for the core transformation provides insight into the ductile–brittle transition.Show less >
Show more >The ductile deformation of strontium titanate SrTiO3 at low temperature (T⪅ 1000 K) is commonly associated with the activity of dislocations gliding in {110} slip planes. While dislocations with pure screw character keep essentially the same dissociated core structure in the whole temperature range, dislocations with edge character may adopt different atomic configurations, associated with different charge states and different mobilities. In this work we use atomic-scale simulations to investigate the core structure of charged and neutral edge dislocations. We report a new possible dislocation core that is charge-neutral, dissociated, and with the lowest Peierls stress reported so far, thus making it an efficient component of plastic deformation. In comparison, dislocations carrying a positive charge are slightly less mobile, while those with negative charge have a very low mobility. Our results indicate that glide of charge-neutral dislocations is favoured, and that they may locally acquire a charge by interacting with vacancies all while remaining glissile. Finally, we investigate edge dislocations that are dissociated in their climb plane, and confirm that they are energetically more favourable than their glissile counterparts. Computing the activation energy for the core transformation provides insight into the ductile–brittle transition.Show less >
Language :
Anglais
Peer reviewed article :
Oui
Audience :
Internationale
Popular science :
Non
European Project :
Administrative institution(s) :
Université de Lille
CNRS
INRAE
ENSCL
CNRS
INRAE
ENSCL
Collections :
Research team(s) :
Plasticité
Submission date :
2025-01-15T15:34:42Z
2025-01-16T14:50:04Z
2025-01-16T14:50:04Z
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