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AlN/diamond interface nanoengineering for reducing thermal boundary resistance by molecular dynamics simulations

Zijun Qi Orcid Logo, Wei Shen, Rui Li, Xiang Sun, Lijie Li Orcid Logo, Qijun Wang, Gai Wu Orcid Logo, Kang Liang

Applied Surface Science, Volume: 615, Start page: 156419

Swansea University Author: Lijie Li Orcid Logo

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DOI (Published version): 10.1016/j.apsusc.2023.156419

Abstract

Interfacial thermal transport has become a significant bottleneck in thermal management, particularly for the electronic high-power devices represented by III-V semiconductor devices. Diamond has great potential to be integrated with devices to dissipate heat efficiently due to its ultra-high therma...

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Published in: Applied Surface Science
ISSN: 0169-4332
Published: Elsevier BV 2023
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URI: https://cronfa.swan.ac.uk/Record/cronfa62330
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first_indexed 2023-01-16T10:17:48Z
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spelling 2023-01-24T10:58:04.6465452 v2 62330 2023-01-16 AlN/diamond interface nanoengineering for reducing thermal boundary resistance by molecular dynamics simulations ed2c658b77679a28e4c1dcf95af06bd6 0000-0003-4630-7692 Lijie Li Lijie Li true false 2023-01-16 EEEG Interfacial thermal transport has become a significant bottleneck in thermal management, particularly for the electronic high-power devices represented by III-V semiconductor devices. Diamond has great potential to be integrated with devices to dissipate heat efficiently due to its ultra-high thermal conductivity. In this paper, the Non-equilibrium Molecular Dynamics method, taking into consideration of the parameters such as the type of the interleaved nanopillars, the size and the height of the nanopillars, was used to study the influence of nanopillars on the thermal boundary resistance (TBR) at AlN/diamond interfaces. The TBR of the optimal AlN/diamond interface of nanopillar structures could be reduced by 28% compared to the planar interface. The vibrational density of states (VDOS) analysis of both AlN and diamond on each side of the interface can reveal that the enhancement of AlN intermediate frequency phonons and the shift of diamond VDOS towards the lower frequency can contribute to the optimization of the interfacial thermal transport. Hence, this work can provide a deeper understanding of the impact of nanostructures on the interfacial thermal transport and can also be a guideline for efficient thermal management through the introduction of nanostructures at the heterogeneous interfaces. Journal Article Applied Surface Science 615 156419 Elsevier BV 0169-4332 Thermal boundary resistance; AlN/diamond interface; Nanostructure; Molecular dynamics 1 4 2023 2023-04-01 10.1016/j.apsusc.2023.156419 COLLEGE NANME Electronic and Electrical Engineering COLLEGE CODE EEEG Swansea University 2023-01-24T10:58:04.6465452 2023-01-16T09:12:24.0391620 Faculty of Science and Engineering School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Electronic and Electrical Engineering Zijun Qi 0000-0002-4440-5734 1 Wei Shen 2 Rui Li 3 Xiang Sun 4 Lijie Li 0000-0003-4630-7692 5 Qijun Wang 6 Gai Wu 0000-0002-9726-6328 7 Kang Liang 8 Under embargo Under embargo 2023-01-16T10:17:10.8351361 Output 3971527 application/pdf Accepted Manuscript true 2024-01-12T00:00:00.0000000 ©2023 All rights reserved. All article content, except where otherwise noted, is licensed under a Creative Commons Attribution Non-Commercial No Derivatives License (CC-BY-NC-ND) true eng https://creativecommons.org/licenses/by-nc-nd/4.0/
title AlN/diamond interface nanoengineering for reducing thermal boundary resistance by molecular dynamics simulations
spellingShingle AlN/diamond interface nanoengineering for reducing thermal boundary resistance by molecular dynamics simulations
Lijie Li
title_short AlN/diamond interface nanoengineering for reducing thermal boundary resistance by molecular dynamics simulations
title_full AlN/diamond interface nanoengineering for reducing thermal boundary resistance by molecular dynamics simulations
title_fullStr AlN/diamond interface nanoengineering for reducing thermal boundary resistance by molecular dynamics simulations
title_full_unstemmed AlN/diamond interface nanoengineering for reducing thermal boundary resistance by molecular dynamics simulations
title_sort AlN/diamond interface nanoengineering for reducing thermal boundary resistance by molecular dynamics simulations
author_id_str_mv ed2c658b77679a28e4c1dcf95af06bd6
author_id_fullname_str_mv ed2c658b77679a28e4c1dcf95af06bd6_***_Lijie Li
author Lijie Li
author2 Zijun Qi
Wei Shen
Rui Li
Xiang Sun
Lijie Li
Qijun Wang
Gai Wu
Kang Liang
format Journal article
container_title Applied Surface Science
container_volume 615
container_start_page 156419
publishDate 2023
institution Swansea University
issn 0169-4332
doi_str_mv 10.1016/j.apsusc.2023.156419
publisher Elsevier BV
college_str Faculty of Science and Engineering
hierarchytype
hierarchy_top_id facultyofscienceandengineering
hierarchy_top_title Faculty of Science and Engineering
hierarchy_parent_id facultyofscienceandengineering
hierarchy_parent_title Faculty of Science and Engineering
department_str School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Electronic and Electrical Engineering{{{_:::_}}}Faculty of Science and Engineering{{{_:::_}}}School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Electronic and Electrical Engineering
document_store_str 0
active_str 0
description Interfacial thermal transport has become a significant bottleneck in thermal management, particularly for the electronic high-power devices represented by III-V semiconductor devices. Diamond has great potential to be integrated with devices to dissipate heat efficiently due to its ultra-high thermal conductivity. In this paper, the Non-equilibrium Molecular Dynamics method, taking into consideration of the parameters such as the type of the interleaved nanopillars, the size and the height of the nanopillars, was used to study the influence of nanopillars on the thermal boundary resistance (TBR) at AlN/diamond interfaces. The TBR of the optimal AlN/diamond interface of nanopillar structures could be reduced by 28% compared to the planar interface. The vibrational density of states (VDOS) analysis of both AlN and diamond on each side of the interface can reveal that the enhancement of AlN intermediate frequency phonons and the shift of diamond VDOS towards the lower frequency can contribute to the optimization of the interfacial thermal transport. Hence, this work can provide a deeper understanding of the impact of nanostructures on the interfacial thermal transport and can also be a guideline for efficient thermal management through the introduction of nanostructures at the heterogeneous interfaces.
published_date 2023-04-01T04:21:51Z
_version_ 1763754441922576384
score 11.013148

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