Interaction of a dislocation pileup with {332} tilt grain boundary in bcc metals studied by MD simulations

The sustainability and capacity of macroscopic deformation by polycrystalline metals and metallic alloys is controlled by the propagation of dislocation-mediated slip through grains. In this paper, the interaction of a pileup of 1/2¿111¿ dislocations with the {332} tilt grain boundary (GB) is studie...

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Autores: Kvashin, Nikolai|||0000-0002-6924-0083, Anento Moreno, Napoleón|||0000-0002-4643-7270, Terentyev, Dimitry, Bakaev, A., Serra Tort, Ana María|||0000-0002-8754-5649
Tipo de recurso: artículo
Fecha de publicación:2021
País:España
Institución:Universitat Politècnica de Catalunya (UPC)
Repositorio:UPCommons. Portal del coneixement obert de la UPC
Idioma:inglés
OAI Identifier:oai:upcommons.upc.edu:2117/346611
Acceso en línea:https://hdl.handle.net/2117/346611
https://dx.doi.org/10.1103/PhysRevMaterials.5.013605
Access Level:acceso abierto
Palabra clave:Metals--Plastic properties--Mathematical models
Molecular dynamics
Grain boundary
Dislocation pileup
Disconnection
Plastic deformation
Metalls -- Propietats plàstiques
Àrees temàtiques de la UPC::Enginyeria dels materials::Materials compostos
Àrees temàtiques de la UPC::Enginyeria dels materials::Metal·lúrgia
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repository_id_str
spelling Interaction of a dislocation pileup with {332} tilt grain boundary in bcc metals studied by MD simulationsKvashin, Nikolai|||0000-0002-6924-0083Anento Moreno, Napoleón|||0000-0002-4643-7270Terentyev, DimitryBakaev, A.Serra Tort, Ana María|||0000-0002-8754-5649Metals--Plastic properties--Mathematical modelsMolecular dynamicsGrain boundaryDislocation pileupDisconnectionPlastic deformationMetalls -- Propietats plàstiquesÀrees temàtiques de la UPC::Enginyeria dels materials::Materials compostosÀrees temàtiques de la UPC::Enginyeria dels materials::Metal·lúrgiaThe sustainability and capacity of macroscopic deformation by polycrystalline metals and metallic alloys is controlled by the propagation of dislocation-mediated slip through grains. In this paper, the interaction of a pileup of 1/2¿111¿ dislocations with the {332} tilt grain boundary (GB) is studied as a function of temperature in three bcc metals: iron (Fe), chromium (Cr), and tungsten (W). The interaction results in the transformation of the crystal dislocation into GB dislocations. The {332} tilt GB absorbs the crystal dislocations of the pileup, neither the transmission nor reflection of dislocations was observed. The reaction product at the GB is determined by the crystallography of the GB and the features of the crystal dislocations involved, specifically, the orientation of the Burgers vector and the glide plane of the dislocation. In general, the decomposition results in the formation of a sessile GB dislocation with a riser that facets the GB and several elementary disconnections that glide away. In some cases, the riser increases its length with the number of dislocations absorbed and a new asymmetrical grain boundary of {112}/{110} type is created. For a given external shear stress, the number of dislocations absorbed depends on the orientation of the Burgers vector, glide plane of the pileup, and material.This work was supported by the Euratom research and training program 2014–2018 under Grant agreement No 755039 (Project M4F) and by the Spanish Ministry of Science and Innovation: FIS2015-69017-P. This work also contributes to the Joint Program on Nuclear Materials of the European Energy Research Alliance (JPNM-EERA). This work is partially sponsored by a Belgium FOD fusion grant.Peer ReviewedAmerican Physical Society (APS)20212021-01-0120212021-06-03journal articlehttp://purl.org/coar/resource_type/c_6501VoRhttp://purl.org/coar/version/c_970fb48d4fbd8a85info:eu-repo/semantics/articleapplication/pdfhttps://hdl.handle.net/2117/346611https://dx.doi.org/10.1103/PhysRevMaterials.5.013605reponame:UPCommons. Portal del coneixement obert de la UPCinstname:Universitat Politècnica de Catalunya (UPC)InglésengEuropean Commission http://doi.org/10.13039/100010661 Horizon 2020 Framework Programme 755039 MULTISCALE MODELLING FOR FUSION AND FISSION MATERIALSMinisterio de Economía y Competitividad http://doi.org/10.13039/501100003329 FIS2015-69017-P PROCESOS NANO-ESTRUCTURALES EN METALES Y ALEACIONES ASOCIADOS A LA DEFORMACION PLASTICA Y%2FO IRRADIACIONopen accesshttp://purl.org/coar/access_right/c_abf2info:eu-repo/semantics/openAccessoai:upcommons.upc.edu:2117/3466112026-05-27T15:37:01Z
dc.title.none.fl_str_mv Interaction of a dislocation pileup with {332} tilt grain boundary in bcc metals studied by MD simulations
title Interaction of a dislocation pileup with {332} tilt grain boundary in bcc metals studied by MD simulations
spellingShingle Interaction of a dislocation pileup with {332} tilt grain boundary in bcc metals studied by MD simulations
Kvashin, Nikolai|||0000-0002-6924-0083
Metals--Plastic properties--Mathematical models
Molecular dynamics
Grain boundary
Dislocation pileup
Disconnection
Plastic deformation
Metalls -- Propietats plàstiques
Àrees temàtiques de la UPC::Enginyeria dels materials::Materials compostos
Àrees temàtiques de la UPC::Enginyeria dels materials::Metal·lúrgia
title_short Interaction of a dislocation pileup with {332} tilt grain boundary in bcc metals studied by MD simulations
title_full Interaction of a dislocation pileup with {332} tilt grain boundary in bcc metals studied by MD simulations
title_fullStr Interaction of a dislocation pileup with {332} tilt grain boundary in bcc metals studied by MD simulations
title_full_unstemmed Interaction of a dislocation pileup with {332} tilt grain boundary in bcc metals studied by MD simulations
title_sort Interaction of a dislocation pileup with {332} tilt grain boundary in bcc metals studied by MD simulations
dc.creator.none.fl_str_mv Kvashin, Nikolai|||0000-0002-6924-0083
Anento Moreno, Napoleón|||0000-0002-4643-7270
Terentyev, Dimitry
Bakaev, A.
Serra Tort, Ana María|||0000-0002-8754-5649
author Kvashin, Nikolai|||0000-0002-6924-0083
author_facet Kvashin, Nikolai|||0000-0002-6924-0083
Anento Moreno, Napoleón|||0000-0002-4643-7270
Terentyev, Dimitry
Bakaev, A.
Serra Tort, Ana María|||0000-0002-8754-5649
author_role author
author2 Anento Moreno, Napoleón|||0000-0002-4643-7270
Terentyev, Dimitry
Bakaev, A.
Serra Tort, Ana María|||0000-0002-8754-5649
author2_role author
author
author
author
dc.subject.none.fl_str_mv Metals--Plastic properties--Mathematical models
Molecular dynamics
Grain boundary
Dislocation pileup
Disconnection
Plastic deformation
Metalls -- Propietats plàstiques
Àrees temàtiques de la UPC::Enginyeria dels materials::Materials compostos
Àrees temàtiques de la UPC::Enginyeria dels materials::Metal·lúrgia
topic Metals--Plastic properties--Mathematical models
Molecular dynamics
Grain boundary
Dislocation pileup
Disconnection
Plastic deformation
Metalls -- Propietats plàstiques
Àrees temàtiques de la UPC::Enginyeria dels materials::Materials compostos
Àrees temàtiques de la UPC::Enginyeria dels materials::Metal·lúrgia
description The sustainability and capacity of macroscopic deformation by polycrystalline metals and metallic alloys is controlled by the propagation of dislocation-mediated slip through grains. In this paper, the interaction of a pileup of 1/2¿111¿ dislocations with the {332} tilt grain boundary (GB) is studied as a function of temperature in three bcc metals: iron (Fe), chromium (Cr), and tungsten (W). The interaction results in the transformation of the crystal dislocation into GB dislocations. The {332} tilt GB absorbs the crystal dislocations of the pileup, neither the transmission nor reflection of dislocations was observed. The reaction product at the GB is determined by the crystallography of the GB and the features of the crystal dislocations involved, specifically, the orientation of the Burgers vector and the glide plane of the dislocation. In general, the decomposition results in the formation of a sessile GB dislocation with a riser that facets the GB and several elementary disconnections that glide away. In some cases, the riser increases its length with the number of dislocations absorbed and a new asymmetrical grain boundary of {112}/{110} type is created. For a given external shear stress, the number of dislocations absorbed depends on the orientation of the Burgers vector, glide plane of the pileup, and material.
publishDate 2021
dc.date.none.fl_str_mv 2021
2021-01-01
2021
2021-06-03
dc.type.none.fl_str_mv journal article
http://purl.org/coar/resource_type/c_6501
VoR
http://purl.org/coar/version/c_970fb48d4fbd8a85
dc.type.openaire.fl_str_mv info:eu-repo/semantics/article
format article
dc.identifier.none.fl_str_mv https://hdl.handle.net/2117/346611
https://dx.doi.org/10.1103/PhysRevMaterials.5.013605
url https://hdl.handle.net/2117/346611
https://dx.doi.org/10.1103/PhysRevMaterials.5.013605
dc.language.none.fl_str_mv Inglés
eng
language_invalid_str_mv Inglés
language eng
dc.relation.none.fl_str_mv European Commission http://doi.org/10.13039/100010661 Horizon 2020 Framework Programme 755039 MULTISCALE MODELLING FOR FUSION AND FISSION MATERIALS
Ministerio de Economía y Competitividad http://doi.org/10.13039/501100003329 FIS2015-69017-P PROCESOS NANO-ESTRUCTURALES EN METALES Y ALEACIONES ASOCIADOS A LA DEFORMACION PLASTICA Y%2FO IRRADIACION
dc.rights.none.fl_str_mv open access
http://purl.org/coar/access_right/c_abf2
dc.rights.openaire.fl_str_mv info:eu-repo/semantics/openAccess
rights_invalid_str_mv open access
http://purl.org/coar/access_right/c_abf2
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv American Physical Society (APS)
publisher.none.fl_str_mv American Physical Society (APS)
dc.source.none.fl_str_mv reponame:UPCommons. Portal del coneixement obert de la UPC
instname:Universitat Politècnica de Catalunya (UPC)
instname_str Universitat Politècnica de Catalunya (UPC)
reponame_str UPCommons. Portal del coneixement obert de la UPC
collection UPCommons. Portal del coneixement obert de la UPC
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15.301629

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