Shock waves in polycrystalline iron: Plasticity and phase transitions

Autores
Gunkelmann, Nina; Bringa, Eduardo Marcial; Tramontina Videla, Diego Ramiro; Ruestes, Carlos Javier; Suggit, Mathew J.; Higginbotham, Andrew; Wark, Justin S.; Urbassek, Herbert M.
Año de publicación
2014
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
At a pressure of around 13 GPa iron undergoes a structural phase transition from the bcc to the hexagonal close-packed phase. Atomistic simulations have provided important insights into this transition. However, while experiments in polycrystals show clear evidence that the α-ε transition is preceded by plasticity, simulations up to now could not detect any plastic activity occurring before the phase change. Here we study shock waves in polycrystalline Fe using an interatomic potential which incorporates the α-ε transition faithfully. Our simulations show that the phase transformation is preceded by dislocation generation at grain boundaries, giving a three-wave profile. The α-ε transformation pressure is much higher than the equilibrium transformation pressure but decreases slightly with increasing loading ramp time (decreasing strain rate). The transformed phase is mostly composed of hcp grains with large defect density. Simulated x-ray diffraction displays clear evidence for this hcp phase, with powder-diffraction-type patterns as they would be seen using current experimental setups.
Fil: Gunkelmann, Nina. University of Kaiserlautern; Alemania. Friedrich-Alexander-Universität; Alemania
Fil: Bringa, Eduardo Marcial. Universidad Nacional de Cuyo. Facultad de Ciencias Exactas y Naturales; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mendoza; Argentina
Fil: Tramontina Videla, Diego Ramiro. Universidad Nacional de Cuyo. Facultad de Ciencias Exactas y Naturales; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mendoza; Argentina
Fil: Ruestes, Carlos Javier. Universidad Nacional de Cuyo. Facultad de Ciencias Exactas y Naturales; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mendoza; Argentina
Fil: Suggit, Mathew J.. University of Oxford. Department of Physics; Reino Unido
Fil: Higginbotham, Andrew. University of Oxford. Department of Physics; Reino Unido
Fil: Wark, Justin S.. University of Oxford. Department of Physics; Reino Unido
Fil: Urbassek, Herbert M.. University of Kaiserlautern; Alemania
Materia
Iron
Shock-Waves
Molecular Dynamics
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:11336/32279
Acceder
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spelling Shock waves in polycrystalline iron: Plasticity and phase transitionsGunkelmann, NinaBringa, Eduardo MarcialTramontina Videla, Diego RamiroRuestes, Carlos JavierSuggit, Mathew J.Higginbotham, AndrewWark, Justin S.Urbassek, Herbert M.IronShock-WavesMolecular Dynamicshttps://purl.org/becyt/ford/2.10https://purl.org/becyt/ford/2At a pressure of around 13 GPa iron undergoes a structural phase transition from the bcc to the hexagonal close-packed phase. Atomistic simulations have provided important insights into this transition. However, while experiments in polycrystals show clear evidence that the α-ε transition is preceded by plasticity, simulations up to now could not detect any plastic activity occurring before the phase change. Here we study shock waves in polycrystalline Fe using an interatomic potential which incorporates the α-ε transition faithfully. Our simulations show that the phase transformation is preceded by dislocation generation at grain boundaries, giving a three-wave profile. The α-ε transformation pressure is much higher than the equilibrium transformation pressure but decreases slightly with increasing loading ramp time (decreasing strain rate). The transformed phase is mostly composed of hcp grains with large defect density. Simulated x-ray diffraction displays clear evidence for this hcp phase, with powder-diffraction-type patterns as they would be seen using current experimental setups.Fil: Gunkelmann, Nina. University of Kaiserlautern; Alemania. Friedrich-Alexander-Universität; AlemaniaFil: Bringa, Eduardo Marcial. Universidad Nacional de Cuyo. Facultad de Ciencias Exactas y Naturales; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mendoza; ArgentinaFil: Tramontina Videla, Diego Ramiro. Universidad Nacional de Cuyo. Facultad de Ciencias Exactas y Naturales; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mendoza; ArgentinaFil: Ruestes, Carlos Javier. Universidad Nacional de Cuyo. Facultad de Ciencias Exactas y Naturales; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mendoza; ArgentinaFil: Suggit, Mathew J.. University of Oxford. Department of Physics; Reino UnidoFil: Higginbotham, Andrew. University of Oxford. Department of Physics; Reino UnidoFil: Wark, Justin S.. University of Oxford. Department of Physics; Reino UnidoFil: Urbassek, Herbert M.. University of Kaiserlautern; AlemaniaAmerican Physical Society2014-04info: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/11336/32279Gunkelmann, Nina; Bringa, Eduardo Marcial; Tramontina Videla, Diego Ramiro; Ruestes, Carlos Javier; Suggit, Mathew J.; et al.; Shock waves in polycrystalline iron: Plasticity and phase transitions; American Physical Society; Physical Review B: Condensed Matter and Materials Physics; 89; 14; 4-2014; 140102-1401021098-01212469-9969CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/http://journals.aps.org/prb/abstract/10.1103/PhysRevB.89.140102info:eu-repo/semantics/altIdentifier/doi/10.1103/PhysRevB.89.140102info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T10:20:20Zoai:ri.conicet.gov.ar:11336/32279instacron: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 10:20:21.016CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Shock waves in polycrystalline iron: Plasticity and phase transitions
title Shock waves in polycrystalline iron: Plasticity and phase transitions
spellingShingle Shock waves in polycrystalline iron: Plasticity and phase transitions
Gunkelmann, Nina
Iron
Shock-Waves
Molecular Dynamics
title_short Shock waves in polycrystalline iron: Plasticity and phase transitions
title_full Shock waves in polycrystalline iron: Plasticity and phase transitions
title_fullStr Shock waves in polycrystalline iron: Plasticity and phase transitions
title_full_unstemmed Shock waves in polycrystalline iron: Plasticity and phase transitions
title_sort Shock waves in polycrystalline iron: Plasticity and phase transitions
dc.creator.none.fl_str_mv Gunkelmann, Nina
Bringa, Eduardo Marcial
Tramontina Videla, Diego Ramiro
Ruestes, Carlos Javier
Suggit, Mathew J.
Higginbotham, Andrew
Wark, Justin S.
Urbassek, Herbert M.
author Gunkelmann, Nina
author_facet Gunkelmann, Nina
Bringa, Eduardo Marcial
Tramontina Videla, Diego Ramiro
Ruestes, Carlos Javier
Suggit, Mathew J.
Higginbotham, Andrew
Wark, Justin S.
Urbassek, Herbert M.
author_role author
author2 Bringa, Eduardo Marcial
Tramontina Videla, Diego Ramiro
Ruestes, Carlos Javier
Suggit, Mathew J.
Higginbotham, Andrew
Wark, Justin S.
Urbassek, Herbert M.
author2_role author
author
author
author
author
author
author
dc.subject.none.fl_str_mv Iron
Shock-Waves
Molecular Dynamics
topic Iron
Shock-Waves
Molecular Dynamics
purl_subject.fl_str_mv https://purl.org/becyt/ford/2.10
https://purl.org/becyt/ford/2
dc.description.none.fl_txt_mv At a pressure of around 13 GPa iron undergoes a structural phase transition from the bcc to the hexagonal close-packed phase. Atomistic simulations have provided important insights into this transition. However, while experiments in polycrystals show clear evidence that the α-ε transition is preceded by plasticity, simulations up to now could not detect any plastic activity occurring before the phase change. Here we study shock waves in polycrystalline Fe using an interatomic potential which incorporates the α-ε transition faithfully. Our simulations show that the phase transformation is preceded by dislocation generation at grain boundaries, giving a three-wave profile. The α-ε transformation pressure is much higher than the equilibrium transformation pressure but decreases slightly with increasing loading ramp time (decreasing strain rate). The transformed phase is mostly composed of hcp grains with large defect density. Simulated x-ray diffraction displays clear evidence for this hcp phase, with powder-diffraction-type patterns as they would be seen using current experimental setups.
Fil: Gunkelmann, Nina. University of Kaiserlautern; Alemania. Friedrich-Alexander-Universität; Alemania
Fil: Bringa, Eduardo Marcial. Universidad Nacional de Cuyo. Facultad de Ciencias Exactas y Naturales; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mendoza; Argentina
Fil: Tramontina Videla, Diego Ramiro. Universidad Nacional de Cuyo. Facultad de Ciencias Exactas y Naturales; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mendoza; Argentina
Fil: Ruestes, Carlos Javier. Universidad Nacional de Cuyo. Facultad de Ciencias Exactas y Naturales; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mendoza; Argentina
Fil: Suggit, Mathew J.. University of Oxford. Department of Physics; Reino Unido
Fil: Higginbotham, Andrew. University of Oxford. Department of Physics; Reino Unido
Fil: Wark, Justin S.. University of Oxford. Department of Physics; Reino Unido
Fil: Urbassek, Herbert M.. University of Kaiserlautern; Alemania
description At a pressure of around 13 GPa iron undergoes a structural phase transition from the bcc to the hexagonal close-packed phase. Atomistic simulations have provided important insights into this transition. However, while experiments in polycrystals show clear evidence that the α-ε transition is preceded by plasticity, simulations up to now could not detect any plastic activity occurring before the phase change. Here we study shock waves in polycrystalline Fe using an interatomic potential which incorporates the α-ε transition faithfully. Our simulations show that the phase transformation is preceded by dislocation generation at grain boundaries, giving a three-wave profile. The α-ε transformation pressure is much higher than the equilibrium transformation pressure but decreases slightly with increasing loading ramp time (decreasing strain rate). The transformed phase is mostly composed of hcp grains with large defect density. Simulated x-ray diffraction displays clear evidence for this hcp phase, with powder-diffraction-type patterns as they would be seen using current experimental setups.
publishDate 2014
dc.date.none.fl_str_mv 2014-04
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/11336/32279
Gunkelmann, Nina; Bringa, Eduardo Marcial; Tramontina Videla, Diego Ramiro; Ruestes, Carlos Javier; Suggit, Mathew J.; et al.; Shock waves in polycrystalline iron: Plasticity and phase transitions; American Physical Society; Physical Review B: Condensed Matter and Materials Physics; 89; 14; 4-2014; 140102-140102
1098-0121
2469-9969
CONICET Digital
CONICET
url http://hdl.handle.net/11336/32279
identifier_str_mv Gunkelmann, Nina; Bringa, Eduardo Marcial; Tramontina Videla, Diego Ramiro; Ruestes, Carlos Javier; Suggit, Mathew J.; et al.; Shock waves in polycrystalline iron: Plasticity and phase transitions; American Physical Society; Physical Review B: Condensed Matter and Materials Physics; 89; 14; 4-2014; 140102-140102
1098-0121
2469-9969
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/http://journals.aps.org/prb/abstract/10.1103/PhysRevB.89.140102
info:eu-repo/semantics/altIdentifier/doi/10.1103/PhysRevB.89.140102
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
application/pdf
application/pdf
dc.publisher.none.fl_str_mv American Physical Society
publisher.none.fl_str_mv American Physical Society
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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