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The acoustic mismatch model and diffuse mismatch model are widely used to calculate interfacial thermal conductance. These two models are respectively based on the assumption of extremely smooth and rough interfaces. Owing to the great difference between the actual interface structure and the two hypotheses, the predictions of these two models deviate greatly from the actual interfacial thermal conductance. The recently proposed mixed mismatch model considers the effect of interface structure on the ratio of phonon specular transmission to diffuse scattering transmission, and the prediction accuracy is improved. However, this model requires molecular dynamics simulation to obtain phonon information at the interface. In this work, the mixed mismatch model is simplified by introducing the measured roughness value, and the influence of interface structure on the contact area is taken into account to achieve a simple, fast and accurate prediction of interface thermal conductance. Based on this model, the interfacial thermal conductances of metals (aluminum, copper, gold) and semiconductors (silicon, silicon carbide, gallium arsenide, gallium nitride) are calculated and predicted. The results of Al/Si interface are in good agreement with the experimental results. This model is helpful not only in understanding the mechanism of interface heat conduction, but also in comparing with the measurement results.
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Keywords:
- interfacial thermal conductance /
- interfacial thermal resistance /
- metal/semiconductor interface /
- acoustic mismatch model /
- diffuse mismatch model
[1] Wei N, Zhou C, Li Z, Ou B, Zhao K, Yu P, Li S, Zhao J 2022 Mater. Today Commun. 30 103147Google Scholar
[2] Cui Y, Li M, Hu Y 2020 J. Mater. Chem. C 8 10568Google Scholar
[3] Deng S, Xiao C, Yuan J, Ma D, Li J, Yang N, He H 2019 Appl. Phys. Lett. 115 101603Google Scholar
[4] Cahill D G, Braun P V, Chen G, Clarke D R, Fan S, Goodson K E, Keblinski P, King W P, Mahan G D, Majumdar A, Maris H J, Phillpot S R, Pop E, Shi L 2014 Appl. Phys. Rev. 1 011305Google Scholar
[5] Peng X, Jiang P, Ouyang Y, Lu S, Ren W, Chen J 2021 Nanotechnology 33 035707Google Scholar
[6] Monachon C, Weber L, Dames C 2016 Annu. Rev. Mater. Res. 46 433Google Scholar
[7] Scott E A, Gaskins J T, King S W, Hopkins P E 2018 APL Mater. 6 058302Google Scholar
[8] Yang L, Wan X, Ma D, Jiang Y, Yang N 2021 Phys. Rev. B 103 155305Google Scholar
[9] Liu B, Khvesyuk V I, Barinov A A, Wang M 2022 Int. J. Mech. Sci. 218 106993Google Scholar
[10] Yang N, Luo T, Esfarjani K, Henry A, Tian Z, Shiomi J, Chalopin Y, Li B, Chen G 2015 J. Comput. Theor. Nanosci. 12 168Google Scholar
[11] Rustam S, Schram M, Lu Z, Chaka A M, Rosenthal W S, Pfaendtner J 2022 ACS Appl. Mater. Interfaces 14 32590Google Scholar
[12] Zhang P, Yuan P, Jiang X, Zhai S, Zeng J, Xian Y, Qin H, Yang D 2018 Small 14 1702769Google Scholar
[13] Giri A, Hopkins P E 2020 Adv. Funct. Mater. 30 1903857Google Scholar
[14] Ren W, Ouyang Y, Jiang P, Yu C, He J, Chen J 2021 Nano Lett. 21 2634Google Scholar
[15] Duda J C, Hopkins P E 2012 Appl. Phys. Lett. 100 111602Google Scholar
[16] Hopkins P E, Duda J C, Petz C W, Floro J A 2011 Phys. Rev. B 84 035438Google Scholar
[17] Hopkins P E, Duda J C, Clark S P, Hains C P, Rotter T J, Phinney L M, Balakrishnan G 2011 Appl. Phys. Lett. 98 161913Google Scholar
[18] Hopkins P E, Phinney L M, Serrano J R, Beechem T E 2010 Phys. Rev. B 82 085307Google Scholar
[19] Lee E, Zhang T, Yoo T, Guo Z, Luo T 2016 ACS Appl. Mater. Interfaces 8 35505Google Scholar
[20] Park W, Sood A, Park J, Asheghi M, Sinclair R, Goodson K E 2017 Nanoscale Microscale Thermophys. Eng. 21 134Google Scholar
[21] Liang Y, Zhang B, Liu Z, Liu W 2021 Int. J. Heat Mass Transfer 174 121306Google Scholar
[22] Xu Y, Kato R, Goto M 2010 J. Appl. Phys. 108 104317Google Scholar
[23] Nylander A, Hansson J, Nilsson T, Ye L, Fu Y, Liu J 2021 ACS Appl. Mater. Interfaces 13 30992Google Scholar
[24] Zhang Y, Ma D, Zang Y, Wang X, Yang N 2018 Front. Energy Res. 6 00048Google Scholar
[25] Singh P, Seong M, Sinha S 2013 Appl. Phys. Lett. 102 181906Google Scholar
[26] Hamaoui G, Horny N, Hua Z, Zhu T, Robillard J F, Fleming A, Ban H, Chirtoc M 2018 Sci. Rep. 8 11352Google Scholar
[27] Giri A, Gaskins J T, Donovan B F, Szwejkowski C, Warzoha R J, Rodriguez M A, Ihlefeld J, Hopkins P E 2015 J. Appl. Phys. 117 105105Google Scholar
[28] Chen J, Xu X, Zhou J, Li B 2022 Rev. Mod. Phys. 94 025002Google Scholar
[29] Swartz E T, Pohl R O 1989 Rev. Mod. Phys. 61 605Google Scholar
[30] Kazan M, Bruyant A, Royer P, Masri P 2010 Surf. Sci. Rep. 65 111Google Scholar
[31] De Bellis L, Phelan P E, Prasher R S 2000 J. Thermophys. Heat Transfer 14 144Google Scholar
[32] Ziman J M 1960 Electrons and Phonons: The Theory of Transport Phenomena in Solids (Oxford: Oxford University Press)
[33] Gale J D, Rohl A L 2003 Mol. Simul. 29 291Google Scholar
[34] Mei J, Davenport J W 1992 Phys. Rev. B 46 21Google Scholar
[35] Foiles S M, Baskes M I, Daw M S 1986 Phys. Rev. B 33 7983Google Scholar
[36] Johnson R A 1989 Phys. Rev. B 39 12554Google Scholar
[37] Stillinger F H, Weber T A 1985 Phys. Rev. B 31 5262Google Scholar
[38] Tersoff J 1988 Phys. Rev. B 38 9902Google Scholar
[39] Kresse G, Furthmüller J 1996 Phys. Rev. B 54 11169Google Scholar
[40] Togo A, Tanaka I 2015 Scr. Mater. 108 1Google Scholar
[41] Mulakaluri N, Persson B N J 2011 EPL 96 66003Google Scholar
[42] Farber D L, Krisch M, Antonangeli D, Beraud A, Badro J, Occelli F, Orlikowski D 2006 Phys. Rev. Lett. 96 115502Google Scholar
[43] Trampenau J, Petry W, Herzig C 1993 Phys. Rev. B 47 3132Google Scholar
[44] Dal Corso A 2013 J. Phys. Condens. Matter 25 145401Google Scholar
[45] Koh Y R, Shi J, Wang B, Hu R, Ahmad H, Kerdsongpanya S, Milosevic E, Doolittle W A, Gall D, Tian Z, Graham S, Hopkins P E 2020 Phys. Rev. B 102 205304Google Scholar
[46] Debernardi A, Alouani M, Dreyssé H 2001 Phys. Rev. B 63 064305Google Scholar
[47] Serrano J, Manjón F J, Romero A H, Ivanov A, Cardona M, Lauck R, Bosak A, Krisch M 2010 Phys. Rev. B 81 174304Google Scholar
[48] Ghosh K, Singisetti U 2016 Appl. Phys. Lett. 109 072102Google Scholar
[49] Fritsch J, Pavone P, Schroder U 1995 Phys. Rev. B 52 11326Google Scholar
[50] Qi R, Shi R, Li Y, Sun Y, Wu M, Li N, Du J, Liu K, Chen C, Chen J, Wang F, Yu D, Wang E G, Gao P 2021 Nature 599 399Google Scholar
[51] Cheng Z, Li R, Yan X, Jernigan G, Shi J, Liao M E, Hines N J, Gadre C A, Idrobo J C, Lee E, Hobart K D, Goorsky M S, Pan X, Luo T, Graham S 2021 Nat. Commun. 12 6901Google Scholar
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图 3 AMM, DMM和MMM (粗糙度: 0.28, 1.38, 2.16 nm)三种模型计算界面声子透射率频谱对比 (a) Al/Si界面; (b) Al/SiC界面; (c) Al/GaAs界面; (d) Al/GaN界面
Figure 3. Comparison of phonon transmittance spectra calculated by AMM, DMM and MMM (roughness: 0.28, 1.38, 2.16 nm): (a) Al/Si interface; (b) Al/SiC interface; (c) Al/GaAs interface; (d) Al/GaN interface.
图 4 界面接触系数S和粗糙度之间的关系, 其中ηmax为界面两侧材料的原子间经验势函数截止半径, 当界面粗糙度大于这个值时, 认为界面接触系数趋近于0, 对于Al/Si界面, 该值为4.7 nm
Figure 4. Relationship between interface contact coefficient S and roughness, where ηmax is the cutoff radius of the interatomic empirical potential function of the materials on both sides of the interface. When the roughness of the interface is greater than this value, the interface contact coefficient is considered to approach 0, which is 4.7 nm for Al/Si interface.
图 5 AMM, DMM和MMM (粗糙度: 0.28, 1.38, 2.16 nm)预测界面热导随温度的变化 (a) Al/Si界面; (b) Al/SiC界面; (c) Al/GaAs界面; (d) Al/GaN界面; 实验值来源于Hopkins等[16]的测量
Figure 5. Curves of interfacial thermal conductance predicted by AMM, DMM and MMM (roughness: 0.28, 0.53, 1.38 nm) models as a function of temperature: (a) Al/Si interface; (b) Al/SiC interface; (c) Al/GaAs interface; (d) Al/GaN interface. The experimental values were obtained from measurements made by Hopkins et al.[16]
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[1] Wei N, Zhou C, Li Z, Ou B, Zhao K, Yu P, Li S, Zhao J 2022 Mater. Today Commun. 30 103147Google Scholar
[2] Cui Y, Li M, Hu Y 2020 J. Mater. Chem. C 8 10568Google Scholar
[3] Deng S, Xiao C, Yuan J, Ma D, Li J, Yang N, He H 2019 Appl. Phys. Lett. 115 101603Google Scholar
[4] Cahill D G, Braun P V, Chen G, Clarke D R, Fan S, Goodson K E, Keblinski P, King W P, Mahan G D, Majumdar A, Maris H J, Phillpot S R, Pop E, Shi L 2014 Appl. Phys. Rev. 1 011305Google Scholar
[5] Peng X, Jiang P, Ouyang Y, Lu S, Ren W, Chen J 2021 Nanotechnology 33 035707Google Scholar
[6] Monachon C, Weber L, Dames C 2016 Annu. Rev. Mater. Res. 46 433Google Scholar
[7] Scott E A, Gaskins J T, King S W, Hopkins P E 2018 APL Mater. 6 058302Google Scholar
[8] Yang L, Wan X, Ma D, Jiang Y, Yang N 2021 Phys. Rev. B 103 155305Google Scholar
[9] Liu B, Khvesyuk V I, Barinov A A, Wang M 2022 Int. J. Mech. Sci. 218 106993Google Scholar
[10] Yang N, Luo T, Esfarjani K, Henry A, Tian Z, Shiomi J, Chalopin Y, Li B, Chen G 2015 J. Comput. Theor. Nanosci. 12 168Google Scholar
[11] Rustam S, Schram M, Lu Z, Chaka A M, Rosenthal W S, Pfaendtner J 2022 ACS Appl. Mater. Interfaces 14 32590Google Scholar
[12] Zhang P, Yuan P, Jiang X, Zhai S, Zeng J, Xian Y, Qin H, Yang D 2018 Small 14 1702769Google Scholar
[13] Giri A, Hopkins P E 2020 Adv. Funct. Mater. 30 1903857Google Scholar
[14] Ren W, Ouyang Y, Jiang P, Yu C, He J, Chen J 2021 Nano Lett. 21 2634Google Scholar
[15] Duda J C, Hopkins P E 2012 Appl. Phys. Lett. 100 111602Google Scholar
[16] Hopkins P E, Duda J C, Petz C W, Floro J A 2011 Phys. Rev. B 84 035438Google Scholar
[17] Hopkins P E, Duda J C, Clark S P, Hains C P, Rotter T J, Phinney L M, Balakrishnan G 2011 Appl. Phys. Lett. 98 161913Google Scholar
[18] Hopkins P E, Phinney L M, Serrano J R, Beechem T E 2010 Phys. Rev. B 82 085307Google Scholar
[19] Lee E, Zhang T, Yoo T, Guo Z, Luo T 2016 ACS Appl. Mater. Interfaces 8 35505Google Scholar
[20] Park W, Sood A, Park J, Asheghi M, Sinclair R, Goodson K E 2017 Nanoscale Microscale Thermophys. Eng. 21 134Google Scholar
[21] Liang Y, Zhang B, Liu Z, Liu W 2021 Int. J. Heat Mass Transfer 174 121306Google Scholar
[22] Xu Y, Kato R, Goto M 2010 J. Appl. Phys. 108 104317Google Scholar
[23] Nylander A, Hansson J, Nilsson T, Ye L, Fu Y, Liu J 2021 ACS Appl. Mater. Interfaces 13 30992Google Scholar
[24] Zhang Y, Ma D, Zang Y, Wang X, Yang N 2018 Front. Energy Res. 6 00048Google Scholar
[25] Singh P, Seong M, Sinha S 2013 Appl. Phys. Lett. 102 181906Google Scholar
[26] Hamaoui G, Horny N, Hua Z, Zhu T, Robillard J F, Fleming A, Ban H, Chirtoc M 2018 Sci. Rep. 8 11352Google Scholar
[27] Giri A, Gaskins J T, Donovan B F, Szwejkowski C, Warzoha R J, Rodriguez M A, Ihlefeld J, Hopkins P E 2015 J. Appl. Phys. 117 105105Google Scholar
[28] Chen J, Xu X, Zhou J, Li B 2022 Rev. Mod. Phys. 94 025002Google Scholar
[29] Swartz E T, Pohl R O 1989 Rev. Mod. Phys. 61 605Google Scholar
[30] Kazan M, Bruyant A, Royer P, Masri P 2010 Surf. Sci. Rep. 65 111Google Scholar
[31] De Bellis L, Phelan P E, Prasher R S 2000 J. Thermophys. Heat Transfer 14 144Google Scholar
[32] Ziman J M 1960 Electrons and Phonons: The Theory of Transport Phenomena in Solids (Oxford: Oxford University Press)
[33] Gale J D, Rohl A L 2003 Mol. Simul. 29 291Google Scholar
[34] Mei J, Davenport J W 1992 Phys. Rev. B 46 21Google Scholar
[35] Foiles S M, Baskes M I, Daw M S 1986 Phys. Rev. B 33 7983Google Scholar
[36] Johnson R A 1989 Phys. Rev. B 39 12554Google Scholar
[37] Stillinger F H, Weber T A 1985 Phys. Rev. B 31 5262Google Scholar
[38] Tersoff J 1988 Phys. Rev. B 38 9902Google Scholar
[39] Kresse G, Furthmüller J 1996 Phys. Rev. B 54 11169Google Scholar
[40] Togo A, Tanaka I 2015 Scr. Mater. 108 1Google Scholar
[41] Mulakaluri N, Persson B N J 2011 EPL 96 66003Google Scholar
[42] Farber D L, Krisch M, Antonangeli D, Beraud A, Badro J, Occelli F, Orlikowski D 2006 Phys. Rev. Lett. 96 115502Google Scholar
[43] Trampenau J, Petry W, Herzig C 1993 Phys. Rev. B 47 3132Google Scholar
[44] Dal Corso A 2013 J. Phys. Condens. Matter 25 145401Google Scholar
[45] Koh Y R, Shi J, Wang B, Hu R, Ahmad H, Kerdsongpanya S, Milosevic E, Doolittle W A, Gall D, Tian Z, Graham S, Hopkins P E 2020 Phys. Rev. B 102 205304Google Scholar
[46] Debernardi A, Alouani M, Dreyssé H 2001 Phys. Rev. B 63 064305Google Scholar
[47] Serrano J, Manjón F J, Romero A H, Ivanov A, Cardona M, Lauck R, Bosak A, Krisch M 2010 Phys. Rev. B 81 174304Google Scholar
[48] Ghosh K, Singisetti U 2016 Appl. Phys. Lett. 109 072102Google Scholar
[49] Fritsch J, Pavone P, Schroder U 1995 Phys. Rev. B 52 11326Google Scholar
[50] Qi R, Shi R, Li Y, Sun Y, Wu M, Li N, Du J, Liu K, Chen C, Chen J, Wang F, Yu D, Wang E G, Gao P 2021 Nature 599 399Google Scholar
[51] Cheng Z, Li R, Yan X, Jernigan G, Shi J, Liao M E, Hines N J, Gadre C A, Idrobo J C, Lee E, Hobart K D, Goorsky M S, Pan X, Luo T, Graham S 2021 Nat. Commun. 12 6901Google Scholar
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