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).

FullText HTML : translate this paragraph

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 物理学报 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 物理学报 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 物理学报 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.

DownLoad: Full-Size Img PowerPoint

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.

DownLoad: Full-Size Img PowerPoint

图 4 不同界面下的声子透射函数

Figure 4. Phonon transmission function under different interfaces.

DownLoad: Full-Size Img PowerPoint

图 5 声子态密度图

Figure 5. Phonon state density diagram.

DownLoad: Full-Size Img PowerPoint

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.

DownLoad: Full-Size Img PowerPoint

图 7 ITC随温度的变化规律

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

DownLoad: Full-Size Img PowerPoint

图 8 透射函数随温度的变化规律

Figure 8. The variation of transmission function with temperature.

DownLoad: Full-Size Img PowerPoint

[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 物理学报 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 物理学报 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 物理学报 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

[1]	Sang Li-Xia, Li Zhi-Kang. Molecular dynamics simulation of thermal transport properties of phonons at interface of Au-TiO₂ photoelectrode. Acta Physica Sinica, 2024, 73(10): 103104. doi: 10.7498/aps.73.20240026
[2]	Zong Zhi-Cheng, Pan Dong-Kai, Deng Shi-Chen, Wan Xiao, Yang Li-Na, Ma Deng-Ke, Yang Nuo. Mixed mismatch model predicted interfacial thermal conductance of metal/semiconductor interface. Acta Physica Sinica, 2023, 72(3): 034401. doi: 10.7498/aps.72.20221981
[3]	Pan Ling, Zhang Hao, Lin Guo-Bin. Molecular dynamics simulation on dynamic behaviors of nanodroplets impinging on solid surfaces decorated with nanopillars. Acta Physica Sinica, 2021, 70(13): 134704. doi: 10.7498/aps.70.20210094
[4]	Cui Jie, Su Jun-Jie, Wang Jun, Xia Guo-Dong, Li Zhi-Gang. Thermophoretic force on nanoparticles in free molecule regime. Acta Physica Sinica, 2021, 70(5): 055101. doi: 10.7498/aps.70.20201629
[5]	Liu Dong-Jing, Wang Shao-Ming, Yang Ping. Thermal property of graphene/silicon carbide heterostructure by molecular dynamics simulation. Acta Physica Sinica, 2021, 70(18): 187302. doi: 10.7498/aps.70.20210613
[6]	Wang Zi, Zhang Dan-Mei, Ren Jie. Topological and non-reciprocal phenomena in elastic waves and heat transport of phononic systems. Acta Physica Sinica, 2019, 68(22): 220302. doi: 10.7498/aps.68.20191463
[7]	Gu Yun-Feng, Wu Xiao-Li, Wu Hong-Zhang. Ballistic thermal rectification in the three-terminal graphene nanojunction with asymmetric connection angles. Acta Physica Sinica, 2016, 65(24): 248104. doi: 10.7498/aps.65.248104
[8]	Si Li-Na, Wang Xiao-Li. A molecular dynamics study on adhesive contact processes of surfaces with nanogrooves. Acta Physica Sinica, 2014, 63(23): 234601. doi: 10.7498/aps.63.234601
[9]	Li Ming-Lin, Lin Fan, Chen Yue. Study on the mechanical properties of carbon nanocones using molecular dynamics simulation. Acta Physica Sinica, 2013, 62(1): 016102. doi: 10.7498/aps.62.016102
[10]	Sun Wei-Feng, Wang Xuan. Molecular dynamics simulation study of polyimide/copper-nanoparticle composites. Acta Physica Sinica, 2013, 62(18): 186202. doi: 10.7498/aps.62.186202
[11]	Chen Qing, Sun Min-Hua. Molecular dynamics simulation of isothermal crystallization dynamics in Cu nanocluster. Acta Physica Sinica, 2013, 62(3): 036101. doi: 10.7498/aps.62.036101
[12]	Ge Song, Chen Min. A molecular dynamics simulation on the relationship between contact angle and solid-liquid interfacial thermal resistance. Acta Physica Sinica, 2013, 62(11): 110204. doi: 10.7498/aps.62.110204
[13]	Zhou Qing-Chun, Di Zun-Yan. Phonon effect on the quantum phase of a radiation field interacting with a tunneling-coupled quantum-dot molecule. Acta Physica Sinica, 2013, 62(13): 134206. doi: 10.7498/aps.62.134206
[14]	Xia Dong, Wang Xin-Qiang. Structures and melting behaviors of ultrathin platinum nanowires. Acta Physica Sinica, 2012, 61(13): 130510. doi: 10.7498/aps.61.130510
[15]	Wu Yan-Zhao, Xie Ning, Liu Jian-Jing, Jiao Yong-Fang. Phonon spectra and specific heat calculation of single wall carbon nanotube. Acta Physica Sinica, 2009, 58(11): 7787-7791. doi: 10.7498/aps.58.7787
[16]	Xie Fang, Zhu Ya-Bo, Zhang Zhao-Hui, Zhang Lin. Molecular dynamics simulation of multi-wall carbon nanotube oscillators. Acta Physica Sinica, 2008, 57(9): 5833-5837. doi: 10.7498/aps.57.5833
[17]	Yan Ke-Feng, Li Xiao-Sen, Chen Zhao-Yang, Li Gang, Li Zhi-Bao. Molecular dynamics simulation of methane hydrate dissociation by thermal stimulation in conjunction with chemical injection method. Acta Physica Sinica, 2007, 56(11): 6727-6735. doi: 10.7498/aps.56.6727
[18]	Meng Li-Jun, Zhang Kai-Wang, Zhong Jian-Xin. Molecular dynamics simulation of formation of silicon nanoparticles on surfaces of carbon nanotubes. Acta Physica Sinica, 2007, 56(2): 1009-1013. doi: 10.7498/aps.56.1009
[19]	Li Rui, Hu Yuan-Zhong, Wang Hui, Zhang Yu-Jun. Molecular dynamics simulation of motion of single-walled carbon nanotubes on graphite substrate. Acta Physica Sinica, 2006, 55(10): 5455-5459. doi: 10.7498/aps.55.5455
[20]	Xu Quan, Tian Qiang. The interaction of excitons with phonons and solution of breathers in one-dimensional molecular chain. Acta Physica Sinica, 2004, 53(9): 2811-2815. doi: 10.7498/aps.53.2811

Catalog

Vol. 72, Issue 11 - 2023-06-05

Metrics

Abstract views: 1874
PDF Downloads: 52
Cited By: 0

姓名
邮箱
手机号码
标题
留言内容
验证码

Search

Article

留言板