Plasticity tuning of thermal conductivity between nanoparticles

Autores
Mora Barzaga, Geraudys; Miranda, Enrique Nestor; Bringa, Eduardo Marcial
Año de publicación
2024
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
We study the effects of uniaxial pressure on the thermal conductivity between two nanoparticles using atomistic simulation. While the system is compressed, we analyze the evolution of contact area, the relative density, and the dislocation density. Lattice thermal conductivity is calculated by non-equilibrium molecular dynamics simulations at several stages of the compression. Despite the increment of dislocation defects, thermal conductivity increases with pressure due to the increase in relative density and contact radius. The behavior of the contact radius is compared with the Johnson–Kendall–Roberts (JKR) model. While there is good agreement at low strain, after significant plasticity, signaled by the emission of dislocations from the contact region, the discrepancy with JKR grows larger with the dislocation density. The results for thermal conductivity show good agreement with previous studies at zero strain, and a theoretical model is used to accurately explain its behavior vs strain-dependent contact radius. Both the Kapitza resistance and thermal resistance decrease with strain but with very different evolution. Simulations of a bulk sample under uniaxial strain were also carried out, allowing for a clear distinction between the role of compressive stress, which increases the conductivity, vs the role of dislocations, which decrease the conductivity. For the NP system, there is the additional role of contact area, which increases with stress and also modifies conductivity. An analytical model with a single free parameter allows for a description of all these effects and matches both our bulk and NP simulation results.
Fil: Mora Barzaga, Geraudys. Universidad de Mendoza. Facultad de Ingenieria; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mendoza; Argentina
Fil: Miranda, Enrique Nestor. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mendoza. Instituto Argentino de Nivología, Glaciología y Ciencias Ambientales. Provincia de Mendoza. Instituto Argentino de Nivología, Glaciología y Ciencias Ambientales. Universidad Nacional de Cuyo. Instituto Argentino de Nivología, Glaciología y Ciencias Ambientales; Argentina
Fil: Bringa, Eduardo Marcial. Universidad de Mendoza. Facultad de Ingenieria; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mendoza; Argentina
Materia
Thermal Conductivity
NANOMATERIALES
Simulaciones computacionales
Plasticity
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:11336/248163
Acceder
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network_name_str CONICET Digital (CONICET)
spelling Plasticity tuning of thermal conductivity between nanoparticlesMora Barzaga, GeraudysMiranda, Enrique NestorBringa, Eduardo MarcialThermal ConductivityNANOMATERIALESSimulaciones computacionalesPlasticityhttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1We study the effects of uniaxial pressure on the thermal conductivity between two nanoparticles using atomistic simulation. While the system is compressed, we analyze the evolution of contact area, the relative density, and the dislocation density. Lattice thermal conductivity is calculated by non-equilibrium molecular dynamics simulations at several stages of the compression. Despite the increment of dislocation defects, thermal conductivity increases with pressure due to the increase in relative density and contact radius. The behavior of the contact radius is compared with the Johnson–Kendall–Roberts (JKR) model. While there is good agreement at low strain, after significant plasticity, signaled by the emission of dislocations from the contact region, the discrepancy with JKR grows larger with the dislocation density. The results for thermal conductivity show good agreement with previous studies at zero strain, and a theoretical model is used to accurately explain its behavior vs strain-dependent contact radius. Both the Kapitza resistance and thermal resistance decrease with strain but with very different evolution. Simulations of a bulk sample under uniaxial strain were also carried out, allowing for a clear distinction between the role of compressive stress, which increases the conductivity, vs the role of dislocations, which decrease the conductivity. For the NP system, there is the additional role of contact area, which increases with stress and also modifies conductivity. An analytical model with a single free parameter allows for a description of all these effects and matches both our bulk and NP simulation results.Fil: Mora Barzaga, Geraudys. Universidad de Mendoza. Facultad de Ingenieria; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mendoza; ArgentinaFil: Miranda, Enrique Nestor. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mendoza. Instituto Argentino de Nivología, Glaciología y Ciencias Ambientales. Provincia de Mendoza. Instituto Argentino de Nivología, Glaciología y Ciencias Ambientales. Universidad Nacional de Cuyo. Instituto Argentino de Nivología, Glaciología y Ciencias Ambientales; ArgentinaFil: Bringa, Eduardo Marcial. Universidad de Mendoza. Facultad de Ingenieria; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mendoza; ArgentinaAmerican Institute of Physics2024-11info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/248163Mora Barzaga, Geraudys; Miranda, Enrique Nestor; Bringa, Eduardo Marcial; Plasticity tuning of thermal conductivity between nanoparticles; American Institute of Physics; Journal of Applied Physics; 136; 17; 11-2024; 175103-1751160021-8979CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://pubs.aip.org/jap/article/136/17/175103/3318772/Plasticity-tuning-of-thermal-conductivity-betweeninfo:eu-repo/semantics/altIdentifier/doi/10.1063/5.0225591info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T09:50:36Zoai:ri.conicet.gov.ar:11336/248163instacron: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:34982025-09-03 09:50:37.143CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Plasticity tuning of thermal conductivity between nanoparticles
title Plasticity tuning of thermal conductivity between nanoparticles
spellingShingle Plasticity tuning of thermal conductivity between nanoparticles
Mora Barzaga, Geraudys
Thermal Conductivity
NANOMATERIALES
Simulaciones computacionales
Plasticity
title_short Plasticity tuning of thermal conductivity between nanoparticles
title_full Plasticity tuning of thermal conductivity between nanoparticles
title_fullStr Plasticity tuning of thermal conductivity between nanoparticles
title_full_unstemmed Plasticity tuning of thermal conductivity between nanoparticles
title_sort Plasticity tuning of thermal conductivity between nanoparticles
dc.creator.none.fl_str_mv Mora Barzaga, Geraudys
Miranda, Enrique Nestor
Bringa, Eduardo Marcial
author Mora Barzaga, Geraudys
author_facet Mora Barzaga, Geraudys
Miranda, Enrique Nestor
Bringa, Eduardo Marcial
author_role author
author2 Miranda, Enrique Nestor
Bringa, Eduardo Marcial
author2_role author
author
dc.subject.none.fl_str_mv Thermal Conductivity
NANOMATERIALES
Simulaciones computacionales
Plasticity
topic Thermal Conductivity
NANOMATERIALES
Simulaciones computacionales
Plasticity
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv We study the effects of uniaxial pressure on the thermal conductivity between two nanoparticles using atomistic simulation. While the system is compressed, we analyze the evolution of contact area, the relative density, and the dislocation density. Lattice thermal conductivity is calculated by non-equilibrium molecular dynamics simulations at several stages of the compression. Despite the increment of dislocation defects, thermal conductivity increases with pressure due to the increase in relative density and contact radius. The behavior of the contact radius is compared with the Johnson–Kendall–Roberts (JKR) model. While there is good agreement at low strain, after significant plasticity, signaled by the emission of dislocations from the contact region, the discrepancy with JKR grows larger with the dislocation density. The results for thermal conductivity show good agreement with previous studies at zero strain, and a theoretical model is used to accurately explain its behavior vs strain-dependent contact radius. Both the Kapitza resistance and thermal resistance decrease with strain but with very different evolution. Simulations of a bulk sample under uniaxial strain were also carried out, allowing for a clear distinction between the role of compressive stress, which increases the conductivity, vs the role of dislocations, which decrease the conductivity. For the NP system, there is the additional role of contact area, which increases with stress and also modifies conductivity. An analytical model with a single free parameter allows for a description of all these effects and matches both our bulk and NP simulation results.
Fil: Mora Barzaga, Geraudys. Universidad de Mendoza. Facultad de Ingenieria; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mendoza; Argentina
Fil: Miranda, Enrique Nestor. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mendoza. Instituto Argentino de Nivología, Glaciología y Ciencias Ambientales. Provincia de Mendoza. Instituto Argentino de Nivología, Glaciología y Ciencias Ambientales. Universidad Nacional de Cuyo. Instituto Argentino de Nivología, Glaciología y Ciencias Ambientales; Argentina
Fil: Bringa, Eduardo Marcial. Universidad de Mendoza. Facultad de Ingenieria; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mendoza; Argentina
description We study the effects of uniaxial pressure on the thermal conductivity between two nanoparticles using atomistic simulation. While the system is compressed, we analyze the evolution of contact area, the relative density, and the dislocation density. Lattice thermal conductivity is calculated by non-equilibrium molecular dynamics simulations at several stages of the compression. Despite the increment of dislocation defects, thermal conductivity increases with pressure due to the increase in relative density and contact radius. The behavior of the contact radius is compared with the Johnson–Kendall–Roberts (JKR) model. While there is good agreement at low strain, after significant plasticity, signaled by the emission of dislocations from the contact region, the discrepancy with JKR grows larger with the dislocation density. The results for thermal conductivity show good agreement with previous studies at zero strain, and a theoretical model is used to accurately explain its behavior vs strain-dependent contact radius. Both the Kapitza resistance and thermal resistance decrease with strain but with very different evolution. Simulations of a bulk sample under uniaxial strain were also carried out, allowing for a clear distinction between the role of compressive stress, which increases the conductivity, vs the role of dislocations, which decrease the conductivity. For the NP system, there is the additional role of contact area, which increases with stress and also modifies conductivity. An analytical model with a single free parameter allows for a description of all these effects and matches both our bulk and NP simulation results.
publishDate 2024
dc.date.none.fl_str_mv 2024-11
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/11336/248163
Mora Barzaga, Geraudys; Miranda, Enrique Nestor; Bringa, Eduardo Marcial; Plasticity tuning of thermal conductivity between nanoparticles; American Institute of Physics; Journal of Applied Physics; 136; 17; 11-2024; 175103-175116
0021-8979
CONICET Digital
CONICET
url http://hdl.handle.net/11336/248163
identifier_str_mv Mora Barzaga, Geraudys; Miranda, Enrique Nestor; Bringa, Eduardo Marcial; Plasticity tuning of thermal conductivity between nanoparticles; American Institute of Physics; Journal of Applied Physics; 136; 17; 11-2024; 175103-175116
0021-8979
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://pubs.aip.org/jap/article/136/17/175103/3318772/Plasticity-tuning-of-thermal-conductivity-between
info:eu-repo/semantics/altIdentifier/doi/10.1063/5.0225591
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 American Institute of Physics
publisher.none.fl_str_mv American Institute of Physics
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 13.13397

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