Interatomic potential to study plasticity in stainless steels: The FeNiCr model alloy

Autores
Bonny, G.; Terentyev, D.; Pasianot, Roberto Cesar; Poncé, S.; Bakaev, A.
Año de publicación
2011
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Austenitic stainless steels are commonly used materials for in-core components of nuclear light water reactors. In service, such components are exposed to harsh conditions: intense neutron irradiation, mechanical and thermal stresses, and aggressive corrosion environment which all contribute to the components' degradation. For a better understanding of the prevailing mechanisms responsible for the materials degradation, large-scale atomistic simulations are desirable. In this framework we developed an embedded atom method type interatomic potential for the ternary FeNiCr system to model movement of dislocations and their interaction with radiation defects. Special attention has been drawn to the Fe-10Ni-20Cr alloy, whose properties were ensured to be close to those of 316L austenitic stainless steel. In particular, the stacking fault energy and elastic constants are well reproduced. The fcc phase for the Fe-10Ni-20Cr random alloy was proven to be stable in the temperature range 0-900 K and under shear strain up to 5%. For the same alloy the stable glide of screw dislocations and stability of Frank loops was confirmed.
Fil: Bonny, G.. No especifíca;
Fil: Terentyev, D.. No especifíca;
Fil: Pasianot, Roberto Cesar. Universidad Nacional de San Martín. Instituto Sabato; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica; Argentina
Fil: Poncé, S.. Université Catholique de Louvain; Bélgica
Fil: Bakaev, A.. University of Ghent; Bélgica
Materia
FE-CR-NI ALLOY
INTERATOMIC POTENTIAL
PLASTICITY
ATOMISTIC SIMULATION
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/188662
Acceder
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network_name_str CONICET Digital (CONICET)
spelling Interatomic potential to study plasticity in stainless steels: The FeNiCr model alloyBonny, G.Terentyev, D.Pasianot, Roberto CesarPoncé, S.Bakaev, A.FE-CR-NI ALLOYINTERATOMIC POTENTIALPLASTICITYATOMISTIC SIMULATIONhttps://purl.org/becyt/ford/2.5https://purl.org/becyt/ford/2Austenitic stainless steels are commonly used materials for in-core components of nuclear light water reactors. In service, such components are exposed to harsh conditions: intense neutron irradiation, mechanical and thermal stresses, and aggressive corrosion environment which all contribute to the components' degradation. For a better understanding of the prevailing mechanisms responsible for the materials degradation, large-scale atomistic simulations are desirable. In this framework we developed an embedded atom method type interatomic potential for the ternary FeNiCr system to model movement of dislocations and their interaction with radiation defects. Special attention has been drawn to the Fe-10Ni-20Cr alloy, whose properties were ensured to be close to those of 316L austenitic stainless steel. In particular, the stacking fault energy and elastic constants are well reproduced. The fcc phase for the Fe-10Ni-20Cr random alloy was proven to be stable in the temperature range 0-900 K and under shear strain up to 5%. For the same alloy the stable glide of screw dislocations and stability of Frank loops was confirmed.Fil: Bonny, G.. No especifíca;Fil: Terentyev, D.. No especifíca;Fil: Pasianot, Roberto Cesar. Universidad Nacional de San Martín. Instituto Sabato; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica; ArgentinaFil: Poncé, S.. Université Catholique de Louvain; BélgicaFil: Bakaev, A.. University of Ghent; BélgicaIOP Publishing2011-11info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/188662Bonny, G.; Terentyev, D.; Pasianot, Roberto Cesar; Poncé, S.; Bakaev, A.; Interatomic potential to study plasticity in stainless steels: The FeNiCr model alloy; IOP Publishing; Modelling And Simulation In Materials Science And Engineering; 19; 8; 11-2011; 85008-850210965-0393CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://iopscience.iop.org/article/10.1088/0965-0393/19/8/085008info:eu-repo/semantics/altIdentifier/doi/10.1088/0965-0393/19/8/085008info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T10:03:20Zoai:ri.conicet.gov.ar:11336/188662instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-03 10:03:21.121CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Interatomic potential to study plasticity in stainless steels: The FeNiCr model alloy
title Interatomic potential to study plasticity in stainless steels: The FeNiCr model alloy
spellingShingle Interatomic potential to study plasticity in stainless steels: The FeNiCr model alloy
Bonny, G.
FE-CR-NI ALLOY
INTERATOMIC POTENTIAL
PLASTICITY
ATOMISTIC SIMULATION
title_short Interatomic potential to study plasticity in stainless steels: The FeNiCr model alloy
title_full Interatomic potential to study plasticity in stainless steels: The FeNiCr model alloy
title_fullStr Interatomic potential to study plasticity in stainless steels: The FeNiCr model alloy
title_full_unstemmed Interatomic potential to study plasticity in stainless steels: The FeNiCr model alloy
title_sort Interatomic potential to study plasticity in stainless steels: The FeNiCr model alloy
dc.creator.none.fl_str_mv Bonny, G.
Terentyev, D.
Pasianot, Roberto Cesar
Poncé, S.
Bakaev, A.
author Bonny, G.
author_facet Bonny, G.
Terentyev, D.
Pasianot, Roberto Cesar
Poncé, S.
Bakaev, A.
author_role author
author2 Terentyev, D.
Pasianot, Roberto Cesar
Poncé, S.
Bakaev, A.
author2_role author
author
author
author
dc.subject.none.fl_str_mv FE-CR-NI ALLOY
INTERATOMIC POTENTIAL
PLASTICITY
ATOMISTIC SIMULATION
topic FE-CR-NI ALLOY
INTERATOMIC POTENTIAL
PLASTICITY
ATOMISTIC SIMULATION
purl_subject.fl_str_mv https://purl.org/becyt/ford/2.5
https://purl.org/becyt/ford/2
dc.description.none.fl_txt_mv Austenitic stainless steels are commonly used materials for in-core components of nuclear light water reactors. In service, such components are exposed to harsh conditions: intense neutron irradiation, mechanical and thermal stresses, and aggressive corrosion environment which all contribute to the components' degradation. For a better understanding of the prevailing mechanisms responsible for the materials degradation, large-scale atomistic simulations are desirable. In this framework we developed an embedded atom method type interatomic potential for the ternary FeNiCr system to model movement of dislocations and their interaction with radiation defects. Special attention has been drawn to the Fe-10Ni-20Cr alloy, whose properties were ensured to be close to those of 316L austenitic stainless steel. In particular, the stacking fault energy and elastic constants are well reproduced. The fcc phase for the Fe-10Ni-20Cr random alloy was proven to be stable in the temperature range 0-900 K and under shear strain up to 5%. For the same alloy the stable glide of screw dislocations and stability of Frank loops was confirmed.
Fil: Bonny, G.. No especifíca;
Fil: Terentyev, D.. No especifíca;
Fil: Pasianot, Roberto Cesar. Universidad Nacional de San Martín. Instituto Sabato; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica; Argentina
Fil: Poncé, S.. Université Catholique de Louvain; Bélgica
Fil: Bakaev, A.. University of Ghent; Bélgica
description Austenitic stainless steels are commonly used materials for in-core components of nuclear light water reactors. In service, such components are exposed to harsh conditions: intense neutron irradiation, mechanical and thermal stresses, and aggressive corrosion environment which all contribute to the components' degradation. For a better understanding of the prevailing mechanisms responsible for the materials degradation, large-scale atomistic simulations are desirable. In this framework we developed an embedded atom method type interatomic potential for the ternary FeNiCr system to model movement of dislocations and their interaction with radiation defects. Special attention has been drawn to the Fe-10Ni-20Cr alloy, whose properties were ensured to be close to those of 316L austenitic stainless steel. In particular, the stacking fault energy and elastic constants are well reproduced. The fcc phase for the Fe-10Ni-20Cr random alloy was proven to be stable in the temperature range 0-900 K and under shear strain up to 5%. For the same alloy the stable glide of screw dislocations and stability of Frank loops was confirmed.
publishDate 2011
dc.date.none.fl_str_mv 2011-11
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/188662
Bonny, G.; Terentyev, D.; Pasianot, Roberto Cesar; Poncé, S.; Bakaev, A.; Interatomic potential to study plasticity in stainless steels: The FeNiCr model alloy; IOP Publishing; Modelling And Simulation In Materials Science And Engineering; 19; 8; 11-2011; 85008-85021
0965-0393
CONICET Digital
CONICET
url http://hdl.handle.net/11336/188662
identifier_str_mv Bonny, G.; Terentyev, D.; Pasianot, Roberto Cesar; Poncé, S.; Bakaev, A.; Interatomic potential to study plasticity in stainless steels: The FeNiCr model alloy; IOP Publishing; Modelling And Simulation In Materials Science And Engineering; 19; 8; 11-2011; 85008-85021
0965-0393
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/https://iopscience.iop.org/article/10.1088/0965-0393/19/8/085008
info:eu-repo/semantics/altIdentifier/doi/10.1088/0965-0393/19/8/085008
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv IOP Publishing
publisher.none.fl_str_mv IOP Publishing
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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score 13.13397

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