Molecular dynamics simulations of shock-induced deformation twinning of a body-centered-cubic metal
- Autores
- Higginbotham, A.; Suggit, M. J.; Bringa, Eduardo Marcial; Erhart, P.; Hawreliak, J. A.; Mogni, G.; Park, N.; Wark, J. S.
- Año de publicación
- 2013
- Idioma
- inglés
- Tipo de recurso
- artículo
- Estado
- versión publicada
- Descripción
- Despite a number of previous nonequilibrium molecular dynamics (MD) studies into plasticity in face-centered-cubic metals, and phase transitions in body-centered-cubic (bcc) metals, the plastic response to rapid compression of bcc metals remains largely unexplored. Key questions remain as to the relative importance of dislocation motion and twinning in shear stress release and consequent strength. We present here large scale MD simulations of shock compressed bcc metal, using an extended Finnis-Sinclair potential for tantalum, and demonstrate the presence of significant deformation twinning for pressures above the Hugoniot elastic limit for shock waves propagating along the [001] direction. The twinned variants are separately identified by a per atom order parameter, allowing the strain and stress states of the rotated material to be studied. The atomic motion during twinning, and thus its mechanism, for this potential, is identified by use of a three-dimensional pair-correlation function.
Fil: Higginbotham, A.. University Of Oxford. Department Of Physics; Reino Unido;
Fil: Suggit, M. J.. University Of Oxford. Department Of Physic; Reino Unido
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 Mendoza; Argentina
Fil: Erhart, P.. Lawrence Livermore National Laboratory; Estados Unidos
Fil: Hawreliak, J. A.. Lawrence Livermore National Laboratory; Estados Unidos
Fil: Mogni, G.. University Of Oxford. Department Of Physics; Reino Unido
Fil: Park, N.. Atomic Weapons Establishmen; Reino Unido
Fil: Wark, J. S.. University Of Oxford. Department Of Physics; Reino Unido - Materia
-
Twins
Ta
Detection Method - Nivel de accesibilidad
- acceso abierto
- Condiciones de uso
- https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
- Repositorio
- Institución
- Consejo Nacional de Investigaciones Científicas y Técnicas
- OAI Identificador
- oai:ri.conicet.gov.ar:11336/7569
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Molecular dynamics simulations of shock-induced deformation twinning of a body-centered-cubic metalHigginbotham, A.Suggit, M. J.Bringa, Eduardo MarcialErhart, P.Hawreliak, J. A.Mogni, G.Park, N.Wark, J. S.TwinsTaDetection Methodhttps://purl.org/becyt/ford/1.2https://purl.org/becyt/ford/1https://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1Despite a number of previous nonequilibrium molecular dynamics (MD) studies into plasticity in face-centered-cubic metals, and phase transitions in body-centered-cubic (bcc) metals, the plastic response to rapid compression of bcc metals remains largely unexplored. Key questions remain as to the relative importance of dislocation motion and twinning in shear stress release and consequent strength. We present here large scale MD simulations of shock compressed bcc metal, using an extended Finnis-Sinclair potential for tantalum, and demonstrate the presence of significant deformation twinning for pressures above the Hugoniot elastic limit for shock waves propagating along the [001] direction. The twinned variants are separately identified by a per atom order parameter, allowing the strain and stress states of the rotated material to be studied. The atomic motion during twinning, and thus its mechanism, for this potential, is identified by use of a three-dimensional pair-correlation function.Fil: Higginbotham, A.. University Of Oxford. Department Of Physics; Reino Unido;Fil: Suggit, M. J.. University Of Oxford. Department Of Physic; Reino UnidoFil: Bringa, Eduardo Marcial. Universidad Nacional de Cuyo. Facultad de Ciencias Exactas y Naturales; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Mendoza; ArgentinaFil: Erhart, P.. Lawrence Livermore National Laboratory; Estados UnidosFil: Hawreliak, J. A.. Lawrence Livermore National Laboratory; Estados UnidosFil: Mogni, G.. University Of Oxford. Department Of Physics; Reino UnidoFil: Park, N.. Atomic Weapons Establishmen; Reino UnidoFil: Wark, J. S.. University Of Oxford. Department Of Physics; Reino UnidoAmerican Physical Society2013-09-17info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/7569Higginbotham, A.; Suggit, M. J.; Bringa, Eduardo Marcial; Erhart, P.; Hawreliak, J. A.; et al.; Molecular dynamics simulations of shock-induced deformation twinning of a body-centered-cubic metal; American Physical Society; Physical Review B; 88; 10-11; 17-9-2013; 1041051098-0121enginfo:eu-repo/semantics/altIdentifier/url/http://link.aps.org/doi/10.1103/PhysRevB.88.104105info:eu-repo/semantics/altIdentifier/doi/10.1103/PhysRevB.88.104105info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T09:48:59Zoai:ri.conicet.gov.ar:11336/7569instacron: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 09:48:59.387CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse |
dc.title.none.fl_str_mv |
Molecular dynamics simulations of shock-induced deformation twinning of a body-centered-cubic metal |
title |
Molecular dynamics simulations of shock-induced deformation twinning of a body-centered-cubic metal |
spellingShingle |
Molecular dynamics simulations of shock-induced deformation twinning of a body-centered-cubic metal Higginbotham, A. Twins Ta Detection Method |
title_short |
Molecular dynamics simulations of shock-induced deformation twinning of a body-centered-cubic metal |
title_full |
Molecular dynamics simulations of shock-induced deformation twinning of a body-centered-cubic metal |
title_fullStr |
Molecular dynamics simulations of shock-induced deformation twinning of a body-centered-cubic metal |
title_full_unstemmed |
Molecular dynamics simulations of shock-induced deformation twinning of a body-centered-cubic metal |
title_sort |
Molecular dynamics simulations of shock-induced deformation twinning of a body-centered-cubic metal |
dc.creator.none.fl_str_mv |
Higginbotham, A. Suggit, M. J. Bringa, Eduardo Marcial Erhart, P. Hawreliak, J. A. Mogni, G. Park, N. Wark, J. S. |
author |
Higginbotham, A. |
author_facet |
Higginbotham, A. Suggit, M. J. Bringa, Eduardo Marcial Erhart, P. Hawreliak, J. A. Mogni, G. Park, N. Wark, J. S. |
author_role |
author |
author2 |
Suggit, M. J. Bringa, Eduardo Marcial Erhart, P. Hawreliak, J. A. Mogni, G. Park, N. Wark, J. S. |
author2_role |
author author author author author author author |
dc.subject.none.fl_str_mv |
Twins Ta Detection Method |
topic |
Twins Ta Detection Method |
purl_subject.fl_str_mv |
https://purl.org/becyt/ford/1.2 https://purl.org/becyt/ford/1 https://purl.org/becyt/ford/1.3 https://purl.org/becyt/ford/1 |
dc.description.none.fl_txt_mv |
Despite a number of previous nonequilibrium molecular dynamics (MD) studies into plasticity in face-centered-cubic metals, and phase transitions in body-centered-cubic (bcc) metals, the plastic response to rapid compression of bcc metals remains largely unexplored. Key questions remain as to the relative importance of dislocation motion and twinning in shear stress release and consequent strength. We present here large scale MD simulations of shock compressed bcc metal, using an extended Finnis-Sinclair potential for tantalum, and demonstrate the presence of significant deformation twinning for pressures above the Hugoniot elastic limit for shock waves propagating along the [001] direction. The twinned variants are separately identified by a per atom order parameter, allowing the strain and stress states of the rotated material to be studied. The atomic motion during twinning, and thus its mechanism, for this potential, is identified by use of a three-dimensional pair-correlation function. Fil: Higginbotham, A.. University Of Oxford. Department Of Physics; Reino Unido; Fil: Suggit, M. J.. University Of Oxford. Department Of Physic; Reino Unido 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 Mendoza; Argentina Fil: Erhart, P.. Lawrence Livermore National Laboratory; Estados Unidos Fil: Hawreliak, J. A.. Lawrence Livermore National Laboratory; Estados Unidos Fil: Mogni, G.. University Of Oxford. Department Of Physics; Reino Unido Fil: Park, N.. Atomic Weapons Establishmen; Reino Unido Fil: Wark, J. S.. University Of Oxford. Department Of Physics; Reino Unido |
description |
Despite a number of previous nonequilibrium molecular dynamics (MD) studies into plasticity in face-centered-cubic metals, and phase transitions in body-centered-cubic (bcc) metals, the plastic response to rapid compression of bcc metals remains largely unexplored. Key questions remain as to the relative importance of dislocation motion and twinning in shear stress release and consequent strength. We present here large scale MD simulations of shock compressed bcc metal, using an extended Finnis-Sinclair potential for tantalum, and demonstrate the presence of significant deformation twinning for pressures above the Hugoniot elastic limit for shock waves propagating along the [001] direction. The twinned variants are separately identified by a per atom order parameter, allowing the strain and stress states of the rotated material to be studied. The atomic motion during twinning, and thus its mechanism, for this potential, is identified by use of a three-dimensional pair-correlation function. |
publishDate |
2013 |
dc.date.none.fl_str_mv |
2013-09-17 |
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/11336/7569 Higginbotham, A.; Suggit, M. J.; Bringa, Eduardo Marcial; Erhart, P.; Hawreliak, J. A.; et al.; Molecular dynamics simulations of shock-induced deformation twinning of a body-centered-cubic metal; American Physical Society; Physical Review B; 88; 10-11; 17-9-2013; 104105 1098-0121 |
url |
http://hdl.handle.net/11336/7569 |
identifier_str_mv |
Higginbotham, A.; Suggit, M. J.; Bringa, Eduardo Marcial; Erhart, P.; Hawreliak, J. A.; et al.; Molecular dynamics simulations of shock-induced deformation twinning of a body-centered-cubic metal; American Physical Society; Physical Review B; 88; 10-11; 17-9-2013; 104105 1098-0121 |
dc.language.none.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
info:eu-repo/semantics/altIdentifier/url/http://link.aps.org/doi/10.1103/PhysRevB.88.104105 info:eu-repo/semantics/altIdentifier/doi/10.1103/PhysRevB.88.104105 |
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 |
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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1844613518716829696 |
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13.070432 |