Impulsive generation of 100 dislocation loops in BCC iron

Autores
Bertoni, Andrés Ignacio; Deluigi, Orlando Raul; Dos Santos Mendez, Gonzalo Joaquín; Pérez Diaz, M.; Bringa, Eduardo Marcial
Año de publicación
2020
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The conditions for the formation of 100 dislocation loops in body-centered cubic (BCC) iron were investigated via molecular dynamics simulations using a simplified model intended to mimic conditions in high energy collision cascades, focusing on the possible coherent displacement of atoms at the boundary of a subcascade. We report on the formation of 100 dislocation loops due to the fast displacement of a few hundred atoms with a coherent acceleration, in agreement with previous results for much larger cascade simulations. We analyze in detail the resulting atomic velocities and pressures, and find that they cannot be described within the usual formalism for a shock regime, since the pressure pulse only lasts less than 1 ps and does not match expected values from a Hugoniot shock. Our simulations include two interatomic potentials: Mendelev, which is extensively used for radiation damage simulations, and Ackland, which has been used for shock simulations because it can reproduce the experimentally observed transition from BCC to hexagonal close-packed structure at around 25 GPa, at high deformation rates. They both show similar evolution of defects, also indicating departure from a shock regime which is extremely different for these potentials.
Fil: Bertoni, Andrés Ignacio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mendoza. Instituto Interdisciplinario de Ciencias Básicas. - Universidad Nacional de Cuyo. Instituto Interdisciplinario de Ciencias Básicas; Argentina
Fil: Deluigi, Orlando Raul. Universidad de Mendoza; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mendoza; Argentina
Fil: Dos Santos Mendez, Gonzalo Joaquín. Universidad de Mendoza; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mendoza; Argentina
Fil: Pérez Diaz, M.. Universidad Nacional de Cuyo; Argentina
Fil: Bringa, Eduardo Marcial. Universidad Mayor; Chile. Universidad de Mendoza; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mendoza; Argentina
Materia
DISLOCATION LOOPS
IRON
RADIATION DAMAGE
SHOCK WAVES
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/142063
Acceder
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network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Impulsive generation of 100 dislocation loops in BCC ironBertoni, Andrés IgnacioDeluigi, Orlando RaulDos Santos Mendez, Gonzalo JoaquínPérez Diaz, M.Bringa, Eduardo MarcialDISLOCATION LOOPSIRONRADIATION DAMAGESHOCK WAVEShttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1The conditions for the formation of 100 dislocation loops in body-centered cubic (BCC) iron were investigated via molecular dynamics simulations using a simplified model intended to mimic conditions in high energy collision cascades, focusing on the possible coherent displacement of atoms at the boundary of a subcascade. We report on the formation of 100 dislocation loops due to the fast displacement of a few hundred atoms with a coherent acceleration, in agreement with previous results for much larger cascade simulations. We analyze in detail the resulting atomic velocities and pressures, and find that they cannot be described within the usual formalism for a shock regime, since the pressure pulse only lasts less than 1 ps and does not match expected values from a Hugoniot shock. Our simulations include two interatomic potentials: Mendelev, which is extensively used for radiation damage simulations, and Ackland, which has been used for shock simulations because it can reproduce the experimentally observed transition from BCC to hexagonal close-packed structure at around 25 GPa, at high deformation rates. They both show similar evolution of defects, also indicating departure from a shock regime which is extremely different for these potentials.Fil: Bertoni, Andrés Ignacio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mendoza. Instituto Interdisciplinario de Ciencias Básicas. - Universidad Nacional de Cuyo. Instituto Interdisciplinario de Ciencias Básicas; ArgentinaFil: Deluigi, Orlando Raul. Universidad de Mendoza; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mendoza; ArgentinaFil: Dos Santos Mendez, Gonzalo Joaquín. Universidad de Mendoza; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mendoza; ArgentinaFil: Pérez Diaz, M.. Universidad Nacional de Cuyo; ArgentinaFil: Bringa, Eduardo Marcial. Universidad Mayor; Chile. Universidad de Mendoza; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mendoza; ArgentinaIOP Publishing2020-07info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/142063Bertoni, Andrés Ignacio; Deluigi, Orlando Raul; Dos Santos Mendez, Gonzalo Joaquín; Pérez Diaz, M.; Bringa, Eduardo Marcial; Impulsive generation of 100 dislocation loops in BCC iron; IOP Publishing; Modelling And Simulation In Materials Science And Engineering; 28; 5; 7-2020; 1-150965-0393CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://iopscience.iop.org/article/10.1088/1361-651X/ab81a7info:eu-repo/semantics/altIdentifier/doi/10.1088/1361-651X/ab81a7info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-nd/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T10:41:55Zoai:ri.conicet.gov.ar:11336/142063instacron: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:34982025-09-29 10:41:55.931CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Impulsive generation of 100 dislocation loops in BCC iron
title Impulsive generation of 100 dislocation loops in BCC iron
spellingShingle Impulsive generation of 100 dislocation loops in BCC iron
Bertoni, Andrés Ignacio
DISLOCATION LOOPS
IRON
RADIATION DAMAGE
SHOCK WAVES
title_short Impulsive generation of 100 dislocation loops in BCC iron
title_full Impulsive generation of 100 dislocation loops in BCC iron
title_fullStr Impulsive generation of 100 dislocation loops in BCC iron
title_full_unstemmed Impulsive generation of 100 dislocation loops in BCC iron
title_sort Impulsive generation of 100 dislocation loops in BCC iron
dc.creator.none.fl_str_mv Bertoni, Andrés Ignacio
Deluigi, Orlando Raul
Dos Santos Mendez, Gonzalo Joaquín
Pérez Diaz, M.
Bringa, Eduardo Marcial
author Bertoni, Andrés Ignacio
author_facet Bertoni, Andrés Ignacio
Deluigi, Orlando Raul
Dos Santos Mendez, Gonzalo Joaquín
Pérez Diaz, M.
Bringa, Eduardo Marcial
author_role author
author2 Deluigi, Orlando Raul
Dos Santos Mendez, Gonzalo Joaquín
Pérez Diaz, M.
Bringa, Eduardo Marcial
author2_role author
author
author
author
dc.subject.none.fl_str_mv DISLOCATION LOOPS
IRON
RADIATION DAMAGE
SHOCK WAVES
topic DISLOCATION LOOPS
IRON
RADIATION DAMAGE
SHOCK WAVES
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv The conditions for the formation of 100 dislocation loops in body-centered cubic (BCC) iron were investigated via molecular dynamics simulations using a simplified model intended to mimic conditions in high energy collision cascades, focusing on the possible coherent displacement of atoms at the boundary of a subcascade. We report on the formation of 100 dislocation loops due to the fast displacement of a few hundred atoms with a coherent acceleration, in agreement with previous results for much larger cascade simulations. We analyze in detail the resulting atomic velocities and pressures, and find that they cannot be described within the usual formalism for a shock regime, since the pressure pulse only lasts less than 1 ps and does not match expected values from a Hugoniot shock. Our simulations include two interatomic potentials: Mendelev, which is extensively used for radiation damage simulations, and Ackland, which has been used for shock simulations because it can reproduce the experimentally observed transition from BCC to hexagonal close-packed structure at around 25 GPa, at high deformation rates. They both show similar evolution of defects, also indicating departure from a shock regime which is extremely different for these potentials.
Fil: Bertoni, Andrés Ignacio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mendoza. Instituto Interdisciplinario de Ciencias Básicas. - Universidad Nacional de Cuyo. Instituto Interdisciplinario de Ciencias Básicas; Argentina
Fil: Deluigi, Orlando Raul. Universidad de Mendoza; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mendoza; Argentina
Fil: Dos Santos Mendez, Gonzalo Joaquín. Universidad de Mendoza; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mendoza; Argentina
Fil: Pérez Diaz, M.. Universidad Nacional de Cuyo; Argentina
Fil: Bringa, Eduardo Marcial. Universidad Mayor; Chile. Universidad de Mendoza; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mendoza; Argentina
description The conditions for the formation of 100 dislocation loops in body-centered cubic (BCC) iron were investigated via molecular dynamics simulations using a simplified model intended to mimic conditions in high energy collision cascades, focusing on the possible coherent displacement of atoms at the boundary of a subcascade. We report on the formation of 100 dislocation loops due to the fast displacement of a few hundred atoms with a coherent acceleration, in agreement with previous results for much larger cascade simulations. We analyze in detail the resulting atomic velocities and pressures, and find that they cannot be described within the usual formalism for a shock regime, since the pressure pulse only lasts less than 1 ps and does not match expected values from a Hugoniot shock. Our simulations include two interatomic potentials: Mendelev, which is extensively used for radiation damage simulations, and Ackland, which has been used for shock simulations because it can reproduce the experimentally observed transition from BCC to hexagonal close-packed structure at around 25 GPa, at high deformation rates. They both show similar evolution of defects, also indicating departure from a shock regime which is extremely different for these potentials.
publishDate 2020
dc.date.none.fl_str_mv 2020-07
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/11336/142063
Bertoni, Andrés Ignacio; Deluigi, Orlando Raul; Dos Santos Mendez, Gonzalo Joaquín; Pérez Diaz, M.; Bringa, Eduardo Marcial; Impulsive generation of 100 dislocation loops in BCC iron; IOP Publishing; Modelling And Simulation In Materials Science And Engineering; 28; 5; 7-2020; 1-15
0965-0393
CONICET Digital
CONICET
url http://hdl.handle.net/11336/142063
identifier_str_mv Bertoni, Andrés Ignacio; Deluigi, Orlando Raul; Dos Santos Mendez, Gonzalo Joaquín; Pérez Diaz, M.; Bringa, Eduardo Marcial; Impulsive generation of 100 dislocation loops in BCC iron; IOP Publishing; Modelling And Simulation In Materials Science And Engineering; 28; 5; 7-2020; 1-15
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/10.1088/1361-651X/ab81a7
info:eu-repo/semantics/altIdentifier/doi/10.1088/1361-651X/ab81a7
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
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 13.070432

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