A contribution of Molecular Dynamics simulation to sophisticated engineering of coating processes applied to PVD DC sputter deposition

Autores
Westkämper, E.; Klein, P.; Gottwald, B.; Sommadossi, Silvana Andrea; Baumann, P.; Gemmler, A.
Año de publicación
2005
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Usually, the development of sputtered layer systems as well as their manufacturing are characterised by empirical methods. Therefore, a simulation tool based on Molecular Dynamics (MD) for sophisticated engineering of PVD sputter deposition was developed. With this tool it is possible to correlate coating relevant process parameters to resulting coating properties. The existing MD had to be extended: mesoscopic boundary conditions for MD had to be developed in order to describe the substrate and a continuously differentiable atomistic observable for the local stress tensor consistent with thermodynamics had to be formulated. Input parameters for MD simulation are the substrate temperature and the in situ monitored data of the particle flow. Due to this approach more detailed information about the microscopic origin of stress formation and coating morphology is obtained.
Fil: Westkämper, E.. Stuttgart University; Alemania
Fil: Klein, P.. No especifíca;
Fil: Gottwald, B.. Stuttgart University; Alemania
Fil: Sommadossi, Silvana Andrea. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte. Instituto de Investigación y Desarrollo en Ingeniería de Procesos, Biotecnología y Energías Alternativas. Universidad Nacional del Comahue. Instituto de Investigación y Desarrollo en Ingeniería de Procesos, Biotecnología y Energías Alternativas; Argentina
Fil: Baumann, P.. No especifíca;
Fil: Gemmler, A.. No especifíca;
Materia
Sputter deposition
Coating properties,
MD
Tight-binding
Stress tensors
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:11336/279249
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/279249
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling A contribution of Molecular Dynamics simulation to sophisticated engineering of coating processes applied to PVD DC sputter depositionWestkämper, E.Klein, P.Gottwald, B.Sommadossi, Silvana AndreaBaumann, P.Gemmler, A.Sputter depositionCoating properties,MDTight-bindingStress tensorshttps://purl.org/becyt/ford/2.5https://purl.org/becyt/ford/2Usually, the development of sputtered layer systems as well as their manufacturing are characterised by empirical methods. Therefore, a simulation tool based on Molecular Dynamics (MD) for sophisticated engineering of PVD sputter deposition was developed. With this tool it is possible to correlate coating relevant process parameters to resulting coating properties. The existing MD had to be extended: mesoscopic boundary conditions for MD had to be developed in order to describe the substrate and a continuously differentiable atomistic observable for the local stress tensor consistent with thermodynamics had to be formulated. Input parameters for MD simulation are the substrate temperature and the in situ monitored data of the particle flow. Due to this approach more detailed information about the microscopic origin of stress formation and coating morphology is obtained.Fil: Westkämper, E.. Stuttgart University; AlemaniaFil: Klein, P.. No especifíca;Fil: Gottwald, B.. Stuttgart University; AlemaniaFil: Sommadossi, Silvana Andrea. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte. Instituto de Investigación y Desarrollo en Ingeniería de Procesos, Biotecnología y Energías Alternativas. Universidad Nacional del Comahue. Instituto de Investigación y Desarrollo en Ingeniería de Procesos, Biotecnología y Energías Alternativas; ArgentinaFil: Baumann, P.. No especifíca;Fil: Gemmler, A.. No especifíca;Elsevier Science SA2005-12info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/279249Westkämper, E.; Klein, P.; Gottwald, B.; Sommadossi, Silvana Andrea; Baumann, P.; et al.; A contribution of Molecular Dynamics simulation to sophisticated engineering of coating processes applied to PVD DC sputter deposition; Elsevier Science SA; Surface and Coatings Technology; 200; 1-4; 12-2005; 872-8750257-8972CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/abs/pii/S0257897205001337info:eu-repo/semantics/altIdentifier/doi/10.1016/j.surfcoat.2005.01.102info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2026-02-26T10:35:27Zoai:ri.conicet.gov.ar:11336/279249instacron: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:34982026-02-26 10:35:27.335CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv A contribution of Molecular Dynamics simulation to sophisticated engineering of coating processes applied to PVD DC sputter deposition
title A contribution of Molecular Dynamics simulation to sophisticated engineering of coating processes applied to PVD DC sputter deposition
spellingShingle A contribution of Molecular Dynamics simulation to sophisticated engineering of coating processes applied to PVD DC sputter deposition
Westkämper, E.
Sputter deposition
Coating properties,
MD
Tight-binding
Stress tensors
title_short A contribution of Molecular Dynamics simulation to sophisticated engineering of coating processes applied to PVD DC sputter deposition
title_full A contribution of Molecular Dynamics simulation to sophisticated engineering of coating processes applied to PVD DC sputter deposition
title_fullStr A contribution of Molecular Dynamics simulation to sophisticated engineering of coating processes applied to PVD DC sputter deposition
title_full_unstemmed A contribution of Molecular Dynamics simulation to sophisticated engineering of coating processes applied to PVD DC sputter deposition
title_sort A contribution of Molecular Dynamics simulation to sophisticated engineering of coating processes applied to PVD DC sputter deposition
dc.creator.none.fl_str_mv Westkämper, E.
Klein, P.
Gottwald, B.
Sommadossi, Silvana Andrea
Baumann, P.
Gemmler, A.
author Westkämper, E.
author_facet Westkämper, E.
Klein, P.
Gottwald, B.
Sommadossi, Silvana Andrea
Baumann, P.
Gemmler, A.
author_role author
author2 Klein, P.
Gottwald, B.
Sommadossi, Silvana Andrea
Baumann, P.
Gemmler, A.
author2_role author
author
author
author
author
dc.subject.none.fl_str_mv Sputter deposition
Coating properties,
MD
Tight-binding
Stress tensors
topic Sputter deposition
Coating properties,
MD
Tight-binding
Stress tensors
purl_subject.fl_str_mv https://purl.org/becyt/ford/2.5
https://purl.org/becyt/ford/2
dc.description.none.fl_txt_mv Usually, the development of sputtered layer systems as well as their manufacturing are characterised by empirical methods. Therefore, a simulation tool based on Molecular Dynamics (MD) for sophisticated engineering of PVD sputter deposition was developed. With this tool it is possible to correlate coating relevant process parameters to resulting coating properties. The existing MD had to be extended: mesoscopic boundary conditions for MD had to be developed in order to describe the substrate and a continuously differentiable atomistic observable for the local stress tensor consistent with thermodynamics had to be formulated. Input parameters for MD simulation are the substrate temperature and the in situ monitored data of the particle flow. Due to this approach more detailed information about the microscopic origin of stress formation and coating morphology is obtained.
Fil: Westkämper, E.. Stuttgart University; Alemania
Fil: Klein, P.. No especifíca;
Fil: Gottwald, B.. Stuttgart University; Alemania
Fil: Sommadossi, Silvana Andrea. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte. Instituto de Investigación y Desarrollo en Ingeniería de Procesos, Biotecnología y Energías Alternativas. Universidad Nacional del Comahue. Instituto de Investigación y Desarrollo en Ingeniería de Procesos, Biotecnología y Energías Alternativas; Argentina
Fil: Baumann, P.. No especifíca;
Fil: Gemmler, A.. No especifíca;
description Usually, the development of sputtered layer systems as well as their manufacturing are characterised by empirical methods. Therefore, a simulation tool based on Molecular Dynamics (MD) for sophisticated engineering of PVD sputter deposition was developed. With this tool it is possible to correlate coating relevant process parameters to resulting coating properties. The existing MD had to be extended: mesoscopic boundary conditions for MD had to be developed in order to describe the substrate and a continuously differentiable atomistic observable for the local stress tensor consistent with thermodynamics had to be formulated. Input parameters for MD simulation are the substrate temperature and the in situ monitored data of the particle flow. Due to this approach more detailed information about the microscopic origin of stress formation and coating morphology is obtained.
publishDate 2005
dc.date.none.fl_str_mv 2005-12
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/11336/279249
Westkämper, E.; Klein, P.; Gottwald, B.; Sommadossi, Silvana Andrea; Baumann, P.; et al.; A contribution of Molecular Dynamics simulation to sophisticated engineering of coating processes applied to PVD DC sputter deposition; Elsevier Science SA; Surface and Coatings Technology; 200; 1-4; 12-2005; 872-875
0257-8972
CONICET Digital
CONICET
url http://hdl.handle.net/11336/279249
identifier_str_mv Westkämper, E.; Klein, P.; Gottwald, B.; Sommadossi, Silvana Andrea; Baumann, P.; et al.; A contribution of Molecular Dynamics simulation to sophisticated engineering of coating processes applied to PVD DC sputter deposition; Elsevier Science SA; Surface and Coatings Technology; 200; 1-4; 12-2005; 872-875
0257-8972
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://www.sciencedirect.com/science/article/abs/pii/S0257897205001337
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.surfcoat.2005.01.102
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
dc.publisher.none.fl_str_mv Elsevier Science SA
publisher.none.fl_str_mv Elsevier Science SA
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 12.665996

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