On the structural and mechanical properties of Fe-filled carbon nanotubes-a computer simulation approach

Autores
Soldano, Germán; Mariscal, Marcelo
Año de publicación
2009
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The structural and mechanical properties of single-and multi-walled carbon nanotubes filled with iron nanowires are studied using a recent parameterization of the modified embedded atom model. We have analyzed the effect of different crystal structures of iron (bcc and fcc) inside carbon nanotubes of different topographies. We have computed strain energy versus strain curves for pure systems: Fe nanowires, carbon and Fe-filled carbon nanotubes. A noticeable difference is found when these monatomic systems are joined to form iron-capped nanowires and where multi-layers of graphite are added to the nanotubes.
Fil: Soldano, Germán. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina. Institute of Theoretical Chemistry; Alemania
Fil: Mariscal, Marcelo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
Materia
Carbon Nanotubes
Iron Nanowires
Phase Transition
Mechanical Properties
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:11336/82853
Acceder
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repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling On the structural and mechanical properties of Fe-filled carbon nanotubes-a computer simulation approachSoldano, GermánMariscal, MarceloCarbon NanotubesIron NanowiresPhase TransitionMechanical Propertieshttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1The structural and mechanical properties of single-and multi-walled carbon nanotubes filled with iron nanowires are studied using a recent parameterization of the modified embedded atom model. We have analyzed the effect of different crystal structures of iron (bcc and fcc) inside carbon nanotubes of different topographies. We have computed strain energy versus strain curves for pure systems: Fe nanowires, carbon and Fe-filled carbon nanotubes. A noticeable difference is found when these monatomic systems are joined to form iron-capped nanowires and where multi-layers of graphite are added to the nanotubes.Fil: Soldano, Germán. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina. Institute of Theoretical Chemistry; AlemaniaFil: Mariscal, Marcelo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; ArgentinaIOP Publishing2009-04info: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/11336/82853Soldano, Germán; Mariscal, Marcelo; On the structural and mechanical properties of Fe-filled carbon nanotubes-a computer simulation approach; IOP Publishing; Nanotechnology; 20; 16; 4-2009; 165705-1657120957-44841361-6528CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://iopscience.iop.org/article/10.1088/0957-4484/20/16/165705info:eu-repo/semantics/altIdentifier/doi/10.1088/0957-4484/20/16/165705info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-10T13:01:27Zoai:ri.conicet.gov.ar:11336/82853instacron: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:34982025-09-10 13:01:27.948CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv On the structural and mechanical properties of Fe-filled carbon nanotubes-a computer simulation approach
title On the structural and mechanical properties of Fe-filled carbon nanotubes-a computer simulation approach
spellingShingle On the structural and mechanical properties of Fe-filled carbon nanotubes-a computer simulation approach
Soldano, Germán
Carbon Nanotubes
Iron Nanowires
Phase Transition
Mechanical Properties
title_short On the structural and mechanical properties of Fe-filled carbon nanotubes-a computer simulation approach
title_full On the structural and mechanical properties of Fe-filled carbon nanotubes-a computer simulation approach
title_fullStr On the structural and mechanical properties of Fe-filled carbon nanotubes-a computer simulation approach
title_full_unstemmed On the structural and mechanical properties of Fe-filled carbon nanotubes-a computer simulation approach
title_sort On the structural and mechanical properties of Fe-filled carbon nanotubes-a computer simulation approach
dc.creator.none.fl_str_mv Soldano, Germán
Mariscal, Marcelo
author Soldano, Germán
author_facet Soldano, Germán
Mariscal, Marcelo
author_role author
author2 Mariscal, Marcelo
author2_role author
dc.subject.none.fl_str_mv Carbon Nanotubes
Iron Nanowires
Phase Transition
Mechanical Properties
topic Carbon Nanotubes
Iron Nanowires
Phase Transition
Mechanical Properties
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv The structural and mechanical properties of single-and multi-walled carbon nanotubes filled with iron nanowires are studied using a recent parameterization of the modified embedded atom model. We have analyzed the effect of different crystal structures of iron (bcc and fcc) inside carbon nanotubes of different topographies. We have computed strain energy versus strain curves for pure systems: Fe nanowires, carbon and Fe-filled carbon nanotubes. A noticeable difference is found when these monatomic systems are joined to form iron-capped nanowires and where multi-layers of graphite are added to the nanotubes.
Fil: Soldano, Germán. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina. Institute of Theoretical Chemistry; Alemania
Fil: Mariscal, Marcelo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
description The structural and mechanical properties of single-and multi-walled carbon nanotubes filled with iron nanowires are studied using a recent parameterization of the modified embedded atom model. We have analyzed the effect of different crystal structures of iron (bcc and fcc) inside carbon nanotubes of different topographies. We have computed strain energy versus strain curves for pure systems: Fe nanowires, carbon and Fe-filled carbon nanotubes. A noticeable difference is found when these monatomic systems are joined to form iron-capped nanowires and where multi-layers of graphite are added to the nanotubes.
publishDate 2009
dc.date.none.fl_str_mv 2009-04
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/11336/82853
Soldano, Germán; Mariscal, Marcelo; On the structural and mechanical properties of Fe-filled carbon nanotubes-a computer simulation approach; IOP Publishing; Nanotechnology; 20; 16; 4-2009; 165705-165712
0957-4484
1361-6528
CONICET Digital
CONICET
url http://hdl.handle.net/11336/82853
identifier_str_mv Soldano, Germán; Mariscal, Marcelo; On the structural and mechanical properties of Fe-filled carbon nanotubes-a computer simulation approach; IOP Publishing; Nanotechnology; 20; 16; 4-2009; 165705-165712
0957-4484
1361-6528
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/10.1088/0957-4484/20/16/165705
info:eu-repo/semantics/altIdentifier/doi/10.1088/0957-4484/20/16/165705
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 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 12.993085

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