Thermal rectification in silicon by a graded distribution of defects

We discuss about computer experiments based on nonequilibrium molecular dynamics simulations providing evidence that thermal rectification can be obtained in bulk Si by a non-uniform distribution of defects. We consider a graded population of both Ge substitutional defects and nanovoids, distributed...

Descripción completa

Detalles Bibliográficos
Autores: Dettori, Riccardo|||0000-0002-4678-1098, Melis, Claudio|||0000-0002-5768-8403, Rurali, Riccardo|||0000-0002-4086-4191, Colombo, Luciano|||0000-0001-5335-4652
Tipo de recurso: artículo
Fecha de publicación:2016
País:España
Institución:Universitat Autònoma de Barcelona
Repositorio:Dipòsit Digital de Documents de la UAB
Idioma:inglés
OAI Identifier:oai:ddd.uab.cat:241010
Acceso en línea:https://ddd.uab.cat/record/241010
https://dx.doi.org/urn:doi:10.1063/1.4953142
Access Level:acceso abierto
Palabra clave:Computer experiment
Defect distribution
Defect engineering
Graded distributions
Non-uniform distribution
Nonequilibrium molecular dynamics simulation
Rectification factors
Substitutional defects
id ES_9f4d5c9d4a2e193efefd54b0cb31a3eb
oai_identifier_str oai:ddd.uab.cat:241010
network_acronym_str ES
network_name_str España
repository_id_str
spelling Thermal rectification in silicon by a graded distribution of defectsDettori, Riccardo|||0000-0002-4678-1098Melis, Claudio|||0000-0002-5768-8403Rurali, Riccardo|||0000-0002-4086-4191Colombo, Luciano|||0000-0001-5335-4652Computer experimentDefect distributionDefect engineeringGraded distributionsNon-uniform distributionNonequilibrium molecular dynamics simulationRectification factorsSubstitutional defectsWe discuss about computer experiments based on nonequilibrium molecular dynamics simulations providing evidence that thermal rectification can be obtained in bulk Si by a non-uniform distribution of defects. We consider a graded population of both Ge substitutional defects and nanovoids, distributed along the direction of an applied thermal bias, and predict a rectification factor comparable to what is observed in other low-dimensional Si-based nanostructures. By considering several defect distribution profiles, thermal bias conditions, and sample sizes, the present results suggest that a possible way for tuning the thermal rectification is by defect engineering. 22016-01-0120162016-01-01Articlehttp://purl.org/coar/resource_type/c_6501VoRhttp://purl.org/coar/version/c_970fb48d4fbd8a85info:eu-repo/semantics/articleapplication/pdfhttps://ddd.uab.cat/record/241010https://dx.doi.org/urn:doi:10.1063/1.4953142reponame:Dipòsit Digital de Documents de la UABinstname:Universitat Autònoma de BarcelonaInglésengMinisterio de Economía y Competitividad https://doi.org/10.13039/501100003329 FIS2012-37549-C05-02Ministerio de Economía y Competitividad https://doi.org/10.13039/501100003329 MAT2013-40581-PMinisterio de Economía y Competitividad https://doi.org/10.13039/501100003329 TEC2012-31330Ministerio de Economía y Competitividad https://doi.org/10.13039/501100003329 TEC2015-67462-C2-1-RMinisterio de Economía y Competitividad https://doi.org/10.13039/501100003329 SEV-2013-0295Ministerio de Economía y Competitividad https://doi.org/10.13039/501100003329 SEV-2015-0496Agència de Gestió d'Ajuts Universitaris i de Recerca https://doi.org/10.13039/501100003030 2014/SGR-301Agència de Gestió d'Ajuts Universitaris i de Recerca https://doi.org/10.13039/501100003030 2014/SGR-384open accesshttp://purl.org/coar/access_right/c_abf2Aquest material està protegit per drets d'autor i/o drets afins. Podeu utilitzar aquest material en funció del que permet la legislació de drets d'autor i drets afins d'aplicació al vostre cas. Per a d'altres usos heu d'obtenir permís del(s) titular(s) de drets.https://rightsstatements.org/vocab/InC/1.0/info:eu-repo/semantics/openAccessoai:ddd.uab.cat:2410102026-06-06T12:50:31Z
dc.title.none.fl_str_mv Thermal rectification in silicon by a graded distribution of defects
title Thermal rectification in silicon by a graded distribution of defects
spellingShingle Thermal rectification in silicon by a graded distribution of defects
Dettori, Riccardo|||0000-0002-4678-1098
Computer experiment
Defect distribution
Defect engineering
Graded distributions
Non-uniform distribution
Nonequilibrium molecular dynamics simulation
Rectification factors
Substitutional defects
title_short Thermal rectification in silicon by a graded distribution of defects
title_full Thermal rectification in silicon by a graded distribution of defects
title_fullStr Thermal rectification in silicon by a graded distribution of defects
title_full_unstemmed Thermal rectification in silicon by a graded distribution of defects
title_sort Thermal rectification in silicon by a graded distribution of defects
dc.creator.none.fl_str_mv Dettori, Riccardo|||0000-0002-4678-1098
Melis, Claudio|||0000-0002-5768-8403
Rurali, Riccardo|||0000-0002-4086-4191
Colombo, Luciano|||0000-0001-5335-4652
author Dettori, Riccardo|||0000-0002-4678-1098
author_facet Dettori, Riccardo|||0000-0002-4678-1098
Melis, Claudio|||0000-0002-5768-8403
Rurali, Riccardo|||0000-0002-4086-4191
Colombo, Luciano|||0000-0001-5335-4652
author_role author
author2 Melis, Claudio|||0000-0002-5768-8403
Rurali, Riccardo|||0000-0002-4086-4191
Colombo, Luciano|||0000-0001-5335-4652
author2_role author
author
author
dc.subject.none.fl_str_mv Computer experiment
Defect distribution
Defect engineering
Graded distributions
Non-uniform distribution
Nonequilibrium molecular dynamics simulation
Rectification factors
Substitutional defects
topic Computer experiment
Defect distribution
Defect engineering
Graded distributions
Non-uniform distribution
Nonequilibrium molecular dynamics simulation
Rectification factors
Substitutional defects
description We discuss about computer experiments based on nonequilibrium molecular dynamics simulations providing evidence that thermal rectification can be obtained in bulk Si by a non-uniform distribution of defects. We consider a graded population of both Ge substitutional defects and nanovoids, distributed along the direction of an applied thermal bias, and predict a rectification factor comparable to what is observed in other low-dimensional Si-based nanostructures. By considering several defect distribution profiles, thermal bias conditions, and sample sizes, the present results suggest that a possible way for tuning the thermal rectification is by defect engineering.
publishDate 2016
dc.date.none.fl_str_mv 2
2016-01-01
2016
2016-01-01
dc.type.none.fl_str_mv Article
http://purl.org/coar/resource_type/c_6501
VoR
http://purl.org/coar/version/c_970fb48d4fbd8a85
dc.type.openaire.fl_str_mv info:eu-repo/semantics/article
format article
dc.identifier.none.fl_str_mv https://ddd.uab.cat/record/241010
https://dx.doi.org/urn:doi:10.1063/1.4953142
url https://ddd.uab.cat/record/241010
https://dx.doi.org/urn:doi:10.1063/1.4953142
dc.language.none.fl_str_mv Inglés
eng
language_invalid_str_mv Inglés
language eng
dc.relation.none.fl_str_mv Ministerio de Economía y Competitividad https://doi.org/10.13039/501100003329 FIS2012-37549-C05-02
Ministerio de Economía y Competitividad https://doi.org/10.13039/501100003329 MAT2013-40581-P
Ministerio de Economía y Competitividad https://doi.org/10.13039/501100003329 TEC2012-31330
Ministerio de Economía y Competitividad https://doi.org/10.13039/501100003329 TEC2015-67462-C2-1-R
Ministerio de Economía y Competitividad https://doi.org/10.13039/501100003329 SEV-2013-0295
Ministerio de Economía y Competitividad https://doi.org/10.13039/501100003329 SEV-2015-0496
Agència de Gestió d'Ajuts Universitaris i de Recerca https://doi.org/10.13039/501100003030 2014/SGR-301
Agència de Gestió d'Ajuts Universitaris i de Recerca https://doi.org/10.13039/501100003030 2014/SGR-384
dc.rights.none.fl_str_mv open access
http://purl.org/coar/access_right/c_abf2
https://rightsstatements.org/vocab/InC/1.0/
dc.rights.openaire.fl_str_mv info:eu-repo/semantics/openAccess
rights_invalid_str_mv open access
http://purl.org/coar/access_right/c_abf2
https://rightsstatements.org/vocab/InC/1.0/
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.source.none.fl_str_mv reponame:Dipòsit Digital de Documents de la UAB
instname:Universitat Autònoma de Barcelona
instname_str Universitat Autònoma de Barcelona
reponame_str Dipòsit Digital de Documents de la UAB
collection Dipòsit Digital de Documents de la UAB
repository.name.fl_str_mv
repository.mail.fl_str_mv
_version_ 1869414916996202496
score 15,300724

Similares en LA Referencia