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Two-phase heat transfer technology utilizing dielectric liquids has emerged as one of the efficient solutions for thermal management in high-power electronic devices. However, in practical applications, due to the interfacial materials and thermophysical properties, dielectric liquids exhibit significant boiling hysteresis, which in turn affects the boiling heat transfer performance. Owing to small spatial and temporal scales of bubble nucleation initiation, macroscopic experiments and traditional simulation methods still face certain limitations. In this study, non-equilibrium molecular dynamics and mechanical pressure control method are utilized to investigate the bubble nucleation and boiling heat transfer characteristics of R1336mzz(Z) liquid film on different heating surface materials (i.e. copper atoms, aluminum atoms, and silicon atoms). Additionally, the heterogeneous nucleation mechanism of dielectric liquid is discussed from two perspectives: phonon vibrational density of states and potential energy restriction. On the one hand, surface materials, represented by copper atoms, with high solid-liquid interaction forces and low-frequency vibrations, can generate substantial interfacial heat flux and attract a large number of liquid-phase molecules near the heated wall. However, such materials inevitably increase the energy barrier of bubble nucleation. On the other hand, surface materials, represented by silicon atoms, with weak solid-liquid interaction forces and medium-to-high-frequency vibrations can achieve reasonable phonon vibrational coupling with dielectric liquid to bridge interfacial thermal transport. Such materials can reduce the potential energy restriction on the nanofilm, thus facilitating the formation of local liquid clusters into bubble nuclei. These findings can provide a comprehensive understanding of the underlying mechanisms of bubble nucleation and heat transfer in dielectric liquids, and thus offer valuable insights into thermal management enhancement strategies in high-power electronic devices.
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Keywords:
- boiling heat transfer /
- molecular dynamics /
- phonon vibrational density /
- bubble nucleation
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Xu J Y, Hong F J, Zhang C Y 2024 Chem. Ind. Eng. Prog. 43 5381
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Zhang S Z, Chen Z X, Yang L, Miao R C, Zhang Z J 2020 Chem. Ind. Eng. Prog. 39 3892
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Wang Q, Zhang Z J, Chen Z X, Liu F R, Pang R Y 2023 J. At. Mol. Phys. 40 47
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Google Scholar
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Google Scholar
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图 1 分子体系的初始构型
Figure 1. Initial configuration of the molecular system.
图 2 平衡过程中铜表面液膜温度和总能耗演化
Figure 2. Evolution of film temperature and total energy on copper wall during equilibrium process.
图 3 不同表面材质下R1336mzz(Z)液膜的相变过程
Figure 3. Phase change process of R1336mzz(Z) liquid film under different surface materials.
图 4 不同表面材质下液膜质量中心演化
Figure 4. Evolution of the liquid film center of mass with different surface materials.
图 5 液膜平均温度变化
Figure 5. Evolution of the average temperature of nanofilm.
图 6 不同表面材质下液膜热流密度对比
Figure 6. Comparison of heat fluxes of liquid film with different surface materials.
图 7 不同表面材质下固-液界面热阻对比
Figure 7. Comparison of interfacial resistances of liquid film with different surface materials.
图 8 铜表面液膜在3.17 ns时刻 (a) 数密度分布和 (b) 总能量分布
Figure 8. (a) Number density distribution and (b) total energy distribution of the liquid film on the copper surface at moment of 3.17 ns.
图 9 不同表面材质和R1336mzz(Z)的振动态密度对比
Figure 9. Comparison of vibrational density of state with different surface materials and nanofilm.
图 10 (a) 铜表面的近壁液膜能量变化; (b) 铜表面的液态层能量变化; (c) 不同表面材质的吸附层势能和动能对比; (d) 不同表面材质的液态层势能和动能对比
Figure 10. (a) Near-wall liquid film energy variation on copper surface; (b) liquid layer energy variation on copper surface; (c) comparison of potential and kinetic energy of adsorbed layer for different surface materials; (d) comparison of potential and kinetic energy of liquid layer for different surface materials.
图 11 微纳尺度异相成核及沸腾换热影响机制示意图
Figure 11. Schematic diagram of the mechanism of heterogeneous nucleation and boiling heat transfer at microscale.
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[1] Lin X W, Li Y B, Wu W T, Zhou Z F, Chen B 2024 Renew. Sust. Energy Rev. 189 114052
Google Scholar
[2] 许锦阳, 洪芳军, 张朝阳 2024 化工进展 43 5381
Xu J Y, Hong F J, Zhang C Y 2024 Chem. Ind. Eng. Prog. 43 5381
[3] 田兴旺, 徐振涛, 张琨, 陈聪, 徐士鸣 2024 制冷学报 45 17
Google Scholar
Tian X W, Xu Z T, Zhang K, Chen C, Xu S M 2024 J. Refrig. 45 17
Google Scholar
[4] Mao Q, Feng M Y, Jiang X Z, Ren Y H, Luo K H, van Duin A C T 2023 Prog. Energy Combust. Sci. 97 101084
Google Scholar
[5] Lin X W, Wu W T, Li Y B, Jing D W, Chen B, Zhou Z F 2024 Adv. Colloid Interface Sci. 334 103312
Google Scholar
[6] Yabuki T, Nakabeppu O 2014 Int. J. Heat Mass Transfer 76 286
Google Scholar
[7] Zhang X D, Yang G, Cao B Y 2022 Adv. Mater. Interfaces 9 2200078
Google Scholar
[8] 张龙艳, 徐进良, 雷俊鹏 2018 物理学报 67 172
Google Scholar
Zhang L Y, Xu J L, Lei J P 2018 Acta Phys. Sin. 67 172
Google Scholar
[9] 张石重, 陈占秀, 杨历, 苗瑞灿, 张子剑 2020 化工进展 39 3892
Zhang S Z, Chen Z X, Yang L, Miao R C, Zhang Z J 2020 Chem. Ind. Eng. Prog. 39 3892
[10] 王清, 张子剑, 陈占秀, 刘峰瑞, 庞润宇 2023 原子与分子物理学报 40 47
Wang Q, Zhang Z J, Chen Z X, Liu F R, Pang R Y 2023 J. At. Mol. Phys. 40 47
[11] Datta S, Pillai R, Borg M, Sefiane K 2021 Nano Lett. 21 1267
Google Scholar
[12] Lin X W, Zhu X G, Yin J, Shi M Y, Liu Y, Chen B, Zhou Z F 2024 Int. Commun. Heat Mass Transfer 155 107567
Google Scholar
[13] Bai P, Zhou L P, Huang X N, Du X Z 2021 Int. J. Heat Mass Transfer 175 121391
Google Scholar
[14] Deng X Q, Xu X X, Huang Y F, Duan Y X, Liu C, Dang C B 2024 Int. J. Refrig. 158 35
Google Scholar
[15] Lin X W, Zhang L F, Jiang Y, Liang Y, Zhou Z F 2024 Int. J. Heat Mass Transfer 233 126053
Google Scholar
[16] Cai S Y, Li Q B, Liu C, Zhou Y J 2020 Int. J. Refrig. 113 156-163
Google Scholar
[17] Qian C Y, Yu B B, Ye Z H, Shi J Y, Chen J P 2024 Int. J. Refrig. 157 186
Google Scholar
[18] Su D D, Li X B, Zhang H N, Li F C 2024 Int. J. Heat Mass Transfer 220 124962
Google Scholar
[19] Deng X Q, Xu X X, Song X, Li Q B, Liu C 2023 Appl. Therm. Eng. 219 119682
Google Scholar
[20] Ilic M, Stevanovic V, Milivojevic S, Petrovic M 2021 Int. J. Heat Mass Transfer 172 121141
Google Scholar
[21] Chen Y J, Cao Q, Li J F, Yu B, Tao W Q 2020 J. Mol. Liq. 311 113306
Google Scholar
[22] Xu Z, Huang D, Luo T 2021 J. Phys. Chem. C 125 24115
Google Scholar
[23] Li Z B, Lou J C, Wu X Y, Li X J, Chang F C, Wang H Y, Li H X 2025 J. Mol. Liq. 420 126836
Google Scholar
[24] Raabe G 2015 J. Chem. Eng. Data 60 2412
Google Scholar
[25] Lin X W, Wang Q D, Zhu X G, Shi M Y, Zhou Z F 2024 J. Mol. Liq. 404 124993
Google Scholar
[26] Hasan M, Shavik S, Mukut K, Rabbi K, Faisal A 2018 Micro Nano Lett. 13 351
Google Scholar
[27] Peng P, Liao G L, Shi T L, Tang Z R, Gao Y 2010 Appl. Surf. Sci. 256 6284
Google Scholar
[28] Zhou W J, Li Y, Li M J, Wei J J, Tao W Q 2019 Int. J. Heat Mass Transfer 136 1
Google Scholar
[29] Ma X J, Cheng P, Quan X J 2018 Int. J. Heat Mass Transfer 127 1013
Google Scholar
[30] Xu B, Hu S Q, Hung S W, Shao C, Chandra H, Chen F R, Kodama T, Shiomi J 2021 Sci. Adv. 7 eabf8197
Google Scholar
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