Nanodot embedding based optimization of interfacial thermal conductance

Qiu Yu-Jun; Li Heng-Xuan; Li Ya-Tao; Huang Chun-Pu; Li Wei-Hua; Zhang Xu-Tao; Liu Ying-Guang

doi:10.7498/aps.72.20230314

Abstract

Regulating the interfacial thermal conductance is a key task in the thermal management of electronic devices, and implanting nanostructures at the interface is an effective way to improve the interfacial thermal conductance. In order to study the effect of the embedding of nanostructures on the thermal conductivity of the interface, the effect of embedding tin (Sn) nanodots at the interface on the interfacial thermal conductance of silicon-germanium (Si/Ge) composite material is investigated by using a non-equilibrium molecular dynamics simulation. It is found that the phonon transmission function of the hybrid interface with embedded nanodots is significantly larger than that of the perfect interface (there are no nanodots at interface). The enhanced transmission function plays a role in facilitating the thermal transport at the interface, which enhances the interfacial thermal conductance. The simulation results also indicate that the interfacial thermal conductance changes nonlinearly with the increase of the number of Sn nanodots, firstincreasing and then decreasing. This is attributed to the competition between two phonon transport mechanisms, which are elastic scattering of phonons and inelastic scattering of phonons. When four nanodots are inserted, the interfacial thermal conductance reaches a maximum value, which is 1.92 times that of a perfect interface. In order to reveal the reason why the interfacial thermal conductance varies nonlinearly with the number of nanodots, the transmission function and density of states of photons are calculated, and the result indicates that the increasing of interfacial thermal conductance is due to the enhancement of phonons inelastic scattering, which opens new channels for the interfacial phonons transport. As the number of nanodots increases to a certain value, the elastic scattering of phonons gradually dominates, and the interfacial thermal conductance starts to decrease. In addition, temperature is also a key factor affecting the interfacial thermal conductance. This study shows that as the temperature increases, more and more high-frequency phonons are excited, the phonons transmission function at the interface keeps increasing, and the enhanced inelastic scattering makes the interfacial thermal conductance keep increasing. This study provides theoretical guidance for improving the interfacial thermal conductance of electronic devices.

Keywords:

Authors and contacts

Department of Power Engineering , North China Electric Power University, Baoding 071003, China

Corresponding author: Liu Ying-Guang, liuyingguang@ncepu.edu.cn

Funds: Project supported by the National Natural Science Foundation of China (Grant No. 52076080) and the Natural Science Foundation of Hebei Province, China (Grant No. E2020502011).

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References

[1]	Mayelifartash A, Abdol M A, Sadeghzadeh S 2021 Phys. Chem. Chem. Phys. 23 13310 Google Scholar
[2]	Basu R, Singh A 2021 Mater. Today Phys. 21 100468 Google Scholar
[3]	Jin Z 2021 Phys. Status Solidi B 258 2000443 Google Scholar
[4]	Gurunathan R, Hanus R, Graham S, Garg A, Snyder G J 2021 Phys. Rev. B 103 144302 Google Scholar
[5]	Rajabpour A, Bazrafshan S, Volz S 2019 Phys. Chem. Chem. Phys. 21 2507 Google Scholar
[6]	Bracht H, Eon S, Frieling R, Plech A, Issenmann D, Wolf D, Lundsgaard Hansen J, Nylandsted Larsen A, Ager III J W, Haller E E 2014 New J. Phys. 16 015021 Google Scholar
[7]	宗志成, 潘东楷, 邓世琛, 万骁, 杨哩娜, 马登科, 杨诺 2023 72 034401 Google Scholar Zong Z C, Pan D K, Deng S C, Wan X, Yang L N, Ma D K, Yang N 2023 Acta Phys. Sin. 72 034401 Google Scholar
[8]	Yang L N, Wan X, Ma D K, Jiang Y, Yang N 2021 Phys. Rev. B 103 155305 Google Scholar
[9]	Deng S C, Xiao C D, Yuan J L, Ma D K, Li J H, Yang N, He H 2019 Appl. Phys. Lett. 115 101603 Google Scholar
[10]	曹炳阳, 张梓彤 2022 71 014401 Google Scholar Cao B Y, Zhang Z T 2022 Acta Phys. Sin. 71 014401 Google Scholar
[11]	Jia L, Ju S H, Liang X G, Zhang X 2016 Mater. Res. Express 3 095024 Google Scholar
[12]	刘英光, 薛新强, 张静文, 任国梁 2022 71 093102 Google Scholar Liu Y G, Xue X Q, Zhang J W, Ren G L 2022 Acta Phys. Sin. 71 093102 Google Scholar
[13]	Han J J, Yang X F, Ren Y, Li Y, Li Y, Li Z X 2023 J. Phys. Condens. Matter 35 115001 Google Scholar
[14]	Ma D K, Xing Y H, Zhang L F 2023 J. Phys. Condens. Matter 35 053001 Google Scholar
[15]	Wang X, Wang X L, Wang Z, Guo Y L, Wang Y P 2021 Chem. Phys. 542 111019 Google Scholar
[16]	Lee E, Zhang T, Yoo T, Guo Z, Luo T 2016 ACS Appl. Mater. Interfaces 8 35505 Google Scholar
[17]	Xu Y X, Wang G, Zhou Y G 2022 Int. J. Heat Mass Transfer 187 122499 Google Scholar
[18]	Ma D K, Zhang L F 2020 J. Phys. Condens. Matter 32 425001 Google Scholar
[19]	Schelling P K, Phillpot S R, Keblinski P 2002 Phys. Rev. B 65 144306 Google Scholar
[20]	Plimpton S 1995 J. Comput. Phys. 117 1 Google Scholar
[21]	Liu Y G, Zhang J W, Ren G L, Chernatynskiy A 2022 Int. J. Heat Mass Transfer 189 122700 Google Scholar
[22]	Qu X L, Gu J J 2020 RSC Adv. 10 1243 Google Scholar
[23]	Liang T, Zhou M, Zhang P, Yuan P, Yang D G 2020 Int. J. Heat Mass Transfer 151 119395 Google Scholar
[24]	Bao H, Chen J, Gu X K, Cao B Y 2018 ES Energy Environ. 1 16 Google Scholar
[25]	Loh G C, Teo E H T, Tay B K 2012 Diamond Relat. Mater. 23 88 Google Scholar
[26]	Sääskilahti K, Oksanen J, Tulkki J, Volz S 2016 Phys. Rev. E 93 052141 Google Scholar
[27]	Hu S Q, Zhang Z W, Jiang P F, Chen J, Volz S, Nomura M, Li B 2018 J. Phys. Chem. Lett. 9 3959 Google Scholar
[28]	Hu S Q, Zhang Z W, Jiang P F, Ren W J, Yu C Q, Shiomi J, Chen J 2019 J. Phys. Chem. Lett. 11 11839 Google Scholar
[29]	Sääskilahti K, Oksanen J, Tulkki J, Volz S 2014 Phys. Rev. B 90 134312 Google Scholar
[30]	Zhang Y Y, Ma D K, Zang Y, Wang X J, Yang N 2018 Front. Energy Res. 6 1 Google Scholar
[31]	Ong Z Y, Pop E 2010 Phys. Rev. B 81 155408 Google Scholar
[32]	Diao J, Srivastava D, Menon M, Chem J 2008 J. Chem. Phys. 128 164708 Google Scholar
[33]	Samvedi V, Tomar V 2009 Nanotechnology 20 365701 Google Scholar

Cited By

图 1 NEMD模拟热传导示意图 (a)完美界面结构; (b)混合界面结构

Figure 1. Schematic diagram of the setup of the NEMD simulation: (a) Perfect interface structure; (b) hybrid interface structure.

DownLoad: Full-Size Img PowerPoint

图 2 轴向温度分布

Figure 2. Temperature profile in the z-direction of the simulated system.

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图 3 嵌入不同数量的Sn纳米点对ITC的影响

Figure 3. Effect of Sn nanodots number on interfacial thermal conduction.

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图 4 不同界面下的声子透射函数

Figure 4. Phonon transmission function under different interfaces.

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图 5 声子态密度图

Figure 5. Phonon state density diagram.

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图 6 嵌入不同纳米点时声子透射函数的变化图

Figure 6. Variation of phonon transmission function when inserted at different nanodots.

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图 7 ITC随温度的变化规律

Figure 7. The variation of interface thermal conductance with temperature.

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图 8 透射函数随温度的变化规律

Figure 8. The variation of transmission function with temperature.

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map

[1]	Mayelifartash A, Abdol M A, Sadeghzadeh S 2021 Phys. Chem. Chem. Phys. 23 13310 Google Scholar
[2]	Basu R, Singh A 2021 Mater. Today Phys. 21 100468 Google Scholar
[3]	Jin Z 2021 Phys. Status Solidi B 258 2000443 Google Scholar
[4]	Gurunathan R, Hanus R, Graham S, Garg A, Snyder G J 2021 Phys. Rev. B 103 144302 Google Scholar
[5]	Rajabpour A, Bazrafshan S, Volz S 2019 Phys. Chem. Chem. Phys. 21 2507 Google Scholar
[6]	Bracht H, Eon S, Frieling R, Plech A, Issenmann D, Wolf D, Lundsgaard Hansen J, Nylandsted Larsen A, Ager III J W, Haller E E 2014 New J. Phys. 16 015021 Google Scholar
[7]	宗志成, 潘东楷, 邓世琛, 万骁, 杨哩娜, 马登科, 杨诺 2023 72 034401 Google Scholar Zong Z C, Pan D K, Deng S C, Wan X, Yang L N, Ma D K, Yang N 2023 Acta Phys. Sin. 72 034401 Google Scholar
[8]	Yang L N, Wan X, Ma D K, Jiang Y, Yang N 2021 Phys. Rev. B 103 155305 Google Scholar
[9]	Deng S C, Xiao C D, Yuan J L, Ma D K, Li J H, Yang N, He H 2019 Appl. Phys. Lett. 115 101603 Google Scholar
[10]	曹炳阳, 张梓彤 2022 71 014401 Google Scholar Cao B Y, Zhang Z T 2022 Acta Phys. Sin. 71 014401 Google Scholar
[11]	Jia L, Ju S H, Liang X G, Zhang X 2016 Mater. Res. Express 3 095024 Google Scholar
[12]	刘英光, 薛新强, 张静文, 任国梁 2022 71 093102 Google Scholar Liu Y G, Xue X Q, Zhang J W, Ren G L 2022 Acta Phys. Sin. 71 093102 Google Scholar
[13]	Han J J, Yang X F, Ren Y, Li Y, Li Y, Li Z X 2023 J. Phys. Condens. Matter 35 115001 Google Scholar
[14]	Ma D K, Xing Y H, Zhang L F 2023 J. Phys. Condens. Matter 35 053001 Google Scholar
[15]	Wang X, Wang X L, Wang Z, Guo Y L, Wang Y P 2021 Chem. Phys. 542 111019 Google Scholar
[16]	Lee E, Zhang T, Yoo T, Guo Z, Luo T 2016 ACS Appl. Mater. Interfaces 8 35505 Google Scholar
[17]	Xu Y X, Wang G, Zhou Y G 2022 Int. J. Heat Mass Transfer 187 122499 Google Scholar
[18]	Ma D K, Zhang L F 2020 J. Phys. Condens. Matter 32 425001 Google Scholar
[19]	Schelling P K, Phillpot S R, Keblinski P 2002 Phys. Rev. B 65 144306 Google Scholar
[20]	Plimpton S 1995 J. Comput. Phys. 117 1 Google Scholar
[21]	Liu Y G, Zhang J W, Ren G L, Chernatynskiy A 2022 Int. J. Heat Mass Transfer 189 122700 Google Scholar
[22]	Qu X L, Gu J J 2020 RSC Adv. 10 1243 Google Scholar
[23]	Liang T, Zhou M, Zhang P, Yuan P, Yang D G 2020 Int. J. Heat Mass Transfer 151 119395 Google Scholar
[24]	Bao H, Chen J, Gu X K, Cao B Y 2018 ES Energy Environ. 1 16 Google Scholar
[25]	Loh G C, Teo E H T, Tay B K 2012 Diamond Relat. Mater. 23 88 Google Scholar
[26]	Sääskilahti K, Oksanen J, Tulkki J, Volz S 2016 Phys. Rev. E 93 052141 Google Scholar
[27]	Hu S Q, Zhang Z W, Jiang P F, Chen J, Volz S, Nomura M, Li B 2018 J. Phys. Chem. Lett. 9 3959 Google Scholar
[28]	Hu S Q, Zhang Z W, Jiang P F, Ren W J, Yu C Q, Shiomi J, Chen J 2019 J. Phys. Chem. Lett. 11 11839 Google Scholar
[29]	Sääskilahti K, Oksanen J, Tulkki J, Volz S 2014 Phys. Rev. B 90 134312 Google Scholar
[30]	Zhang Y Y, Ma D K, Zang Y, Wang X J, Yang N 2018 Front. Energy Res. 6 1 Google Scholar
[31]	Ong Z Y, Pop E 2010 Phys. Rev. B 81 155408 Google Scholar
[32]	Diao J, Srivastava D, Menon M, Chem J 2008 J. Chem. Phys. 128 164708 Google Scholar
[33]	Samvedi V, Tomar V 2009 Nanotechnology 20 365701 Google Scholar

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