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
- Institución
- Consejo Nacional de Investigaciones Científicas y Técnicas
- OAI Identificador
- oai:ri.conicet.gov.ar:11336/86516
Ver los metadatos del registro completo
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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 Técnicas2025-09-29T09:36:18Zoai: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:34982025-09-29 09:36:18.837CONICET 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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1844613137372807168 |
score |
13.070432 |