Tuning the Anisotropic Thermal Transport in {110}-Silicon Membranes with Surface Resonances

Understanding the thermal transport in nanostructures has important applications in fields such as thermoelectric energy conversion, novel computing and heat dissipation. Using non-homogeneous equilibrium molecular dynamic simulations, we studied the thermal transport in pristine and resonant Si mem...

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Main Authors: Keqiang Li, Yajuan Cheng, Maofeng Dou, Wang Zeng, Sebastian Volz, Shiyun Xiong
Format: Article
Language:English
Published: MDPI AG 2021-12-01
Series:Nanomaterials
Subjects:
Online Access:https://www.mdpi.com/2079-4991/12/1/123
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author Keqiang Li
Yajuan Cheng
Maofeng Dou
Wang Zeng
Sebastian Volz
Shiyun Xiong
author_facet Keqiang Li
Yajuan Cheng
Maofeng Dou
Wang Zeng
Sebastian Volz
Shiyun Xiong
author_sort Keqiang Li
collection DOAJ
description Understanding the thermal transport in nanostructures has important applications in fields such as thermoelectric energy conversion, novel computing and heat dissipation. Using non-homogeneous equilibrium molecular dynamic simulations, we studied the thermal transport in pristine and resonant Si membranes bounded with {110} facets. The break of symmetry by surfaces led to the anisotropic thermal transport with the thermal conductivity along the [110]-direction to be 1.78 times larger than that along the [100]-direction in the pristine structure. In the pristine membranes, the mean free path of phonons along both the [100]- and [110]-directions could reach up to ∼100 µm. Such modes with ultra-long MFP could be effectively hindered by surface resonant pillars. As a result, the thermal conductivity was significantly reduced in resonant structures, with 87.0% and 80.8% reductions along the [110]- and [100]-directions, respectively. The thermal transport anisotropy was also reduced, with the ratio <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><msub><mi>κ</mi><mn>110</mn></msub><mo>/</mo><msub><mi>κ</mi><mn>100</mn></msub></mrow></semantics></math></inline-formula> decreasing to 1.23. For both the pristine and resonant membranes, the thermal transport was mainly conducted by the in-plane modes. The current work could provide further insights in understanding the thermal transport in thin membranes and resonant structures.
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spelling doaj.art-4c7d39cf07494bab8b32094e63f515342023-11-23T12:01:51ZengMDPI AGNanomaterials2079-49912021-12-0112112310.3390/nano12010123Tuning the Anisotropic Thermal Transport in {110}-Silicon Membranes with Surface ResonancesKeqiang Li0Yajuan Cheng1Maofeng Dou2Wang Zeng3Sebastian Volz4Shiyun Xiong5Guangzhou Key Laboratory of Low-Dimensional Materials and Energy Storage Devices, School of Materials and Energy, Guangdong University of Technology, Guangzhou 510006, ChinaSchool of Physics and Materials Science, Guangzhou University, Guangzhou 510006, ChinaInstitute of Advanced Semiconductors, Hangzhou Innovation Center, Zhejiang University, Hangzhou 311200, ChinaHebei Shenke Magnetic Material Co., Ltd., 9 FuDong Industrial Zone, ShiFu Avenue, Xinji 052300, ChinaLaboratory for Integrated Micro Mechatronic Systems (LIMMS/CNRS-IIS), The University of Tokyo, Tokyo 153-8505, JapanGuangzhou Key Laboratory of Low-Dimensional Materials and Energy Storage Devices, School of Materials and Energy, Guangdong University of Technology, Guangzhou 510006, ChinaUnderstanding the thermal transport in nanostructures has important applications in fields such as thermoelectric energy conversion, novel computing and heat dissipation. Using non-homogeneous equilibrium molecular dynamic simulations, we studied the thermal transport in pristine and resonant Si membranes bounded with {110} facets. The break of symmetry by surfaces led to the anisotropic thermal transport with the thermal conductivity along the [110]-direction to be 1.78 times larger than that along the [100]-direction in the pristine structure. In the pristine membranes, the mean free path of phonons along both the [100]- and [110]-directions could reach up to ∼100 µm. Such modes with ultra-long MFP could be effectively hindered by surface resonant pillars. As a result, the thermal conductivity was significantly reduced in resonant structures, with 87.0% and 80.8% reductions along the [110]- and [100]-directions, respectively. The thermal transport anisotropy was also reduced, with the ratio <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><msub><mi>κ</mi><mn>110</mn></msub><mo>/</mo><msub><mi>κ</mi><mn>100</mn></msub></mrow></semantics></math></inline-formula> decreasing to 1.23. For both the pristine and resonant membranes, the thermal transport was mainly conducted by the in-plane modes. The current work could provide further insights in understanding the thermal transport in thin membranes and resonant structures.https://www.mdpi.com/2079-4991/12/1/123phonon resonanceanisotropic transportmolecular dynamicsthermal conductivity
spellingShingle Keqiang Li
Yajuan Cheng
Maofeng Dou
Wang Zeng
Sebastian Volz
Shiyun Xiong
Tuning the Anisotropic Thermal Transport in {110}-Silicon Membranes with Surface Resonances
Nanomaterials
phonon resonance
anisotropic transport
molecular dynamics
thermal conductivity
title Tuning the Anisotropic Thermal Transport in {110}-Silicon Membranes with Surface Resonances
title_full Tuning the Anisotropic Thermal Transport in {110}-Silicon Membranes with Surface Resonances
title_fullStr Tuning the Anisotropic Thermal Transport in {110}-Silicon Membranes with Surface Resonances
title_full_unstemmed Tuning the Anisotropic Thermal Transport in {110}-Silicon Membranes with Surface Resonances
title_short Tuning the Anisotropic Thermal Transport in {110}-Silicon Membranes with Surface Resonances
title_sort tuning the anisotropic thermal transport in 110 silicon membranes with surface resonances
topic phonon resonance
anisotropic transport
molecular dynamics
thermal conductivity
url https://www.mdpi.com/2079-4991/12/1/123
work_keys_str_mv AT keqiangli tuningtheanisotropicthermaltransportin110siliconmembraneswithsurfaceresonances
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AT maofengdou tuningtheanisotropicthermaltransportin110siliconmembraneswithsurfaceresonances
AT wangzeng tuningtheanisotropicthermaltransportin110siliconmembraneswithsurfaceresonances
AT sebastianvolz tuningtheanisotropicthermaltransportin110siliconmembraneswithsurfaceresonances
AT shiyunxiong tuningtheanisotropicthermaltransportin110siliconmembraneswithsurfaceresonances