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Thermal Conductance of Copper–Graphene Interface: A Molecular Simulation

Copper is often used as a heat-dissipating material due to its high thermal conductivity. In order to improve its heat dissipation performance, one of the feasible methods is to compound copper with appropriate reinforcing phases. With excellent thermal properties, graphene has become an ideal reinf...

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Autores principales: Zhu, Jiarui, Huang, Shuhui, Xie, Zhongnan, Guo, Hong, Yang, Hui
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9654340/
https://www.ncbi.nlm.nih.gov/pubmed/36363179
http://dx.doi.org/10.3390/ma15217588
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author Zhu, Jiarui
Huang, Shuhui
Xie, Zhongnan
Guo, Hong
Yang, Hui
author_facet Zhu, Jiarui
Huang, Shuhui
Xie, Zhongnan
Guo, Hong
Yang, Hui
author_sort Zhu, Jiarui
collection PubMed
description Copper is often used as a heat-dissipating material due to its high thermal conductivity. In order to improve its heat dissipation performance, one of the feasible methods is to compound copper with appropriate reinforcing phases. With excellent thermal properties, graphene has become an ideal reinforcing phase and displays great application prospects in metal matrix composites. However, systematic theoretical research is lacking on the thermal conductivity of the copper–graphene interface and associated affecting factors. Molecular dynamics simulation was used to simulate the interfacial thermal conductivity of copper/graphene composites, and the effects of graphene layer number, atomic structure, matrix length, and graphene vacancy rate on thermal boundary conductance (TBC) were investigated. The results show that TBC decreases with an increase in graphene layers and converges when the number of graphene layers is above five. The atomic structure of the copper matrix affects the TBC, which achieves the highest value with the (011) plane at the interface. The length of the copper matrix has little effect on the TBC. As the vacancy rate is between 0 and 4%, TBC increases with the vacancy rate. Our results present insights for future thermal management optimization based on copper matrix composites.
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spelling pubmed-96543402022-11-15 Thermal Conductance of Copper–Graphene Interface: A Molecular Simulation Zhu, Jiarui Huang, Shuhui Xie, Zhongnan Guo, Hong Yang, Hui Materials (Basel) Article Copper is often used as a heat-dissipating material due to its high thermal conductivity. In order to improve its heat dissipation performance, one of the feasible methods is to compound copper with appropriate reinforcing phases. With excellent thermal properties, graphene has become an ideal reinforcing phase and displays great application prospects in metal matrix composites. However, systematic theoretical research is lacking on the thermal conductivity of the copper–graphene interface and associated affecting factors. Molecular dynamics simulation was used to simulate the interfacial thermal conductivity of copper/graphene composites, and the effects of graphene layer number, atomic structure, matrix length, and graphene vacancy rate on thermal boundary conductance (TBC) were investigated. The results show that TBC decreases with an increase in graphene layers and converges when the number of graphene layers is above five. The atomic structure of the copper matrix affects the TBC, which achieves the highest value with the (011) plane at the interface. The length of the copper matrix has little effect on the TBC. As the vacancy rate is between 0 and 4%, TBC increases with the vacancy rate. Our results present insights for future thermal management optimization based on copper matrix composites. MDPI 2022-10-28 /pmc/articles/PMC9654340/ /pubmed/36363179 http://dx.doi.org/10.3390/ma15217588 Text en © 2022 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Zhu, Jiarui
Huang, Shuhui
Xie, Zhongnan
Guo, Hong
Yang, Hui
Thermal Conductance of Copper–Graphene Interface: A Molecular Simulation
title Thermal Conductance of Copper–Graphene Interface: A Molecular Simulation
title_full Thermal Conductance of Copper–Graphene Interface: A Molecular Simulation
title_fullStr Thermal Conductance of Copper–Graphene Interface: A Molecular Simulation
title_full_unstemmed Thermal Conductance of Copper–Graphene Interface: A Molecular Simulation
title_short Thermal Conductance of Copper–Graphene Interface: A Molecular Simulation
title_sort thermal conductance of copper–graphene interface: a molecular simulation
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9654340/
https://www.ncbi.nlm.nih.gov/pubmed/36363179
http://dx.doi.org/10.3390/ma15217588
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