Molecular dynamics simulation of the nanoindentation process in Cr/CrN and (Cr/CrN)2 thin films

Autores
Amaya Roncancio, Sebastian; Arias Mateus, D. F.; Segura Giraldo, B.; de la Roche, J.; Restrepo Parra, E.
Año de publicación
2018
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Molecular dynamics (MD) simulations were carries out for studying the influenceof nanoindentation in the atomistic deformation mechanisms of Cr/CrN and(Cr/CrN)2 coatings with BCC and FCC crystalline structures for Cr and CrN,respectively. The Morse potential was employed in order to determine the atomicinteraction forces of the Cr-Cr and Cr-N atoms. A non-deformable potential solidsphere was implemented for determining the role of the nanoindenter. The OliverParr method (OP) was used to obtain the hardness and elastic modulus of the Cr/CrN and (Cr/CrN)2 layers, resulting in values of 18 and 20 GPa for Cr/CrN and (Cr/CrN)2, respectively. The Cheng method was used for correcting the hardness values obtained by the OP method. The Cheng correction showed higher hardness values since it avoids the influence of the scale effect. Regarding the elasticity modulus, Cr/CrN and (Cr/CrN)2 exhibited values of 217.86 GPa and 258.9 GPa, respectively. Simulations of the temperature influence on the hardness were carried out over a range of 300-1000 K. Results indicate that the hardness decreased as a function of the temperature.
Fil: Amaya Roncancio, Sebastian. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich". Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich"; Argentina
Fil: Arias Mateus, D. F.. Universidad Católica de Pereira; Colombia
Fil: Segura Giraldo, B.. Universidad Nacional de Colombia; Colombia
Fil: de la Roche, J.. Universidad Nacional de Colombia; Colombia
Fil: Restrepo Parra, E.. Universidad Nacional de Colombia; Colombia
Materia
Molecular Dynamics
Hardness
Elastic Modulus
Temperature
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/86516
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/86516
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Molecular dynamics simulation of the nanoindentation process in Cr/CrN and (Cr/CrN)2 thin filmsAmaya Roncancio, SebastianArias Mateus, D. F.Segura Giraldo, B.de la Roche, J.Restrepo Parra, E.Molecular DynamicsHardnessElastic ModulusTemperaturehttps://purl.org/becyt/ford/2.5https://purl.org/becyt/ford/2Molecular dynamics (MD) simulations were carries out for studying the influenceof nanoindentation in the atomistic deformation mechanisms of Cr/CrN and(Cr/CrN)2 coatings with BCC and FCC crystalline structures for Cr and CrN,respectively. The Morse potential was employed in order to determine the atomicinteraction forces of the Cr-Cr and Cr-N atoms. A non-deformable potential solidsphere was implemented for determining the role of the nanoindenter. The OliverParr method (OP) was used to obtain the hardness and elastic modulus of the Cr/CrN and (Cr/CrN)2 layers, resulting in values of 18 and 20 GPa for Cr/CrN and (Cr/CrN)2, respectively. The Cheng method was used for correcting the hardness values obtained by the OP method. The Cheng correction showed higher hardness values since it avoids the influence of the scale effect. Regarding the elasticity modulus, Cr/CrN and (Cr/CrN)2 exhibited values of 217.86 GPa and 258.9 GPa, respectively. Simulations of the temperature influence on the hardness were carried out over a range of 300-1000 K. Results indicate that the hardness decreased as a function of the temperature.Fil: Amaya Roncancio, Sebastian. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich". Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich"; ArgentinaFil: Arias Mateus, D. F.. Universidad Católica de Pereira; ColombiaFil: Segura Giraldo, B.. Universidad Nacional de Colombia; ColombiaFil: de la Roche, J.. Universidad Nacional de Colombia; ColombiaFil: Restrepo Parra, E.. Universidad Nacional de Colombia; ColombiaHikari2018-11info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/86516Amaya Roncancio, Sebastian; Arias Mateus, D. F.; Segura Giraldo, B.; de la Roche, J.; Restrepo Parra, E.; Molecular dynamics simulation of the nanoindentation process in Cr/CrN and (Cr/CrN)2 thin films; Hikari; Contemporary Engineering Sciences; 11; 93; 11-2018; 4617-46351313-65691314-7641CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/http://www.m-hikari.com/ces/ces2018/ces93-96-2018/88473.htmlinfo:eu-repo/semantics/altIdentifier/doi/10.12988/ces.2018.88473info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-22T11:04:22Zoai:ri.conicet.gov.ar:11336/86516instacron: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:34982025-10-22 11:04:23.056CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Molecular dynamics simulation of the nanoindentation process in Cr/CrN and (Cr/CrN)2 thin films
title Molecular dynamics simulation of the nanoindentation process in Cr/CrN and (Cr/CrN)2 thin films
spellingShingle Molecular dynamics simulation of the nanoindentation process in Cr/CrN and (Cr/CrN)2 thin films
Amaya Roncancio, Sebastian
Molecular Dynamics
Hardness
Elastic Modulus
Temperature
title_short Molecular dynamics simulation of the nanoindentation process in Cr/CrN and (Cr/CrN)2 thin films
title_full Molecular dynamics simulation of the nanoindentation process in Cr/CrN and (Cr/CrN)2 thin films
title_fullStr Molecular dynamics simulation of the nanoindentation process in Cr/CrN and (Cr/CrN)2 thin films
title_full_unstemmed Molecular dynamics simulation of the nanoindentation process in Cr/CrN and (Cr/CrN)2 thin films
title_sort Molecular dynamics simulation of the nanoindentation process in Cr/CrN and (Cr/CrN)2 thin films
dc.creator.none.fl_str_mv Amaya Roncancio, Sebastian
Arias Mateus, D. F.
Segura Giraldo, B.
de la Roche, J.
Restrepo Parra, E.
author Amaya Roncancio, Sebastian
author_facet Amaya Roncancio, Sebastian
Arias Mateus, D. F.
Segura Giraldo, B.
de la Roche, J.
Restrepo Parra, E.
author_role author
author2 Arias Mateus, D. F.
Segura Giraldo, B.
de la Roche, J.
Restrepo Parra, E.
author2_role author
author
author
author
dc.subject.none.fl_str_mv Molecular Dynamics
Hardness
Elastic Modulus
Temperature
topic Molecular Dynamics
Hardness
Elastic Modulus
Temperature
purl_subject.fl_str_mv https://purl.org/becyt/ford/2.5
https://purl.org/becyt/ford/2
dc.description.none.fl_txt_mv Molecular dynamics (MD) simulations were carries out for studying the influenceof nanoindentation in the atomistic deformation mechanisms of Cr/CrN and(Cr/CrN)2 coatings with BCC and FCC crystalline structures for Cr and CrN,respectively. The Morse potential was employed in order to determine the atomicinteraction forces of the Cr-Cr and Cr-N atoms. A non-deformable potential solidsphere was implemented for determining the role of the nanoindenter. The OliverParr method (OP) was used to obtain the hardness and elastic modulus of the Cr/CrN and (Cr/CrN)2 layers, resulting in values of 18 and 20 GPa for Cr/CrN and (Cr/CrN)2, respectively. The Cheng method was used for correcting the hardness values obtained by the OP method. The Cheng correction showed higher hardness values since it avoids the influence of the scale effect. Regarding the elasticity modulus, Cr/CrN and (Cr/CrN)2 exhibited values of 217.86 GPa and 258.9 GPa, respectively. Simulations of the temperature influence on the hardness were carried out over a range of 300-1000 K. Results indicate that the hardness decreased as a function of the temperature.
Fil: Amaya Roncancio, Sebastian. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich". Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich"; Argentina
Fil: Arias Mateus, D. F.. Universidad Católica de Pereira; Colombia
Fil: Segura Giraldo, B.. Universidad Nacional de Colombia; Colombia
Fil: de la Roche, J.. Universidad Nacional de Colombia; Colombia
Fil: Restrepo Parra, E.. Universidad Nacional de Colombia; Colombia
description Molecular dynamics (MD) simulations were carries out for studying the influenceof nanoindentation in the atomistic deformation mechanisms of Cr/CrN and(Cr/CrN)2 coatings with BCC and FCC crystalline structures for Cr and CrN,respectively. The Morse potential was employed in order to determine the atomicinteraction forces of the Cr-Cr and Cr-N atoms. A non-deformable potential solidsphere was implemented for determining the role of the nanoindenter. The OliverParr method (OP) was used to obtain the hardness and elastic modulus of the Cr/CrN and (Cr/CrN)2 layers, resulting in values of 18 and 20 GPa for Cr/CrN and (Cr/CrN)2, respectively. The Cheng method was used for correcting the hardness values obtained by the OP method. The Cheng correction showed higher hardness values since it avoids the influence of the scale effect. Regarding the elasticity modulus, Cr/CrN and (Cr/CrN)2 exhibited values of 217.86 GPa and 258.9 GPa, respectively. Simulations of the temperature influence on the hardness were carried out over a range of 300-1000 K. Results indicate that the hardness decreased as a function of the temperature.
publishDate 2018
dc.date.none.fl_str_mv 2018-11
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/11336/86516
Amaya Roncancio, Sebastian; Arias Mateus, D. F.; Segura Giraldo, B.; de la Roche, J.; Restrepo Parra, E.; Molecular dynamics simulation of the nanoindentation process in Cr/CrN and (Cr/CrN)2 thin films; Hikari; Contemporary Engineering Sciences; 11; 93; 11-2018; 4617-4635
1313-6569
1314-7641
CONICET Digital
CONICET
url http://hdl.handle.net/11336/86516
identifier_str_mv Amaya Roncancio, Sebastian; Arias Mateus, D. F.; Segura Giraldo, B.; de la Roche, J.; Restrepo Parra, E.; Molecular dynamics simulation of the nanoindentation process in Cr/CrN and (Cr/CrN)2 thin films; Hikari; Contemporary Engineering Sciences; 11; 93; 11-2018; 4617-4635
1313-6569
1314-7641
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://www.m-hikari.com/ces/ces2018/ces93-96-2018/88473.html
info:eu-repo/semantics/altIdentifier/doi/10.12988/ces.2018.88473
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv Hikari
publisher.none.fl_str_mv Hikari
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 12.982451

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