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The process of droplet impacting on a high-temperature wall is widely existent in daily life and industrial applications. Most of scholars mainly have focused on experimental and macroscopic research on this phenomenon. In this work, molecular dynamics simulation is conducted to investigate the evolution of droplet and the influence of surface temperature on its evolution, in order to explore the heat transfer mechanism of nanodroplet impacting on high-temperature surface. Droplet containing 10741 argon atoms impacts on the copper plates at temperatures of 85, 150, 200, 250 and 300 K, respectively. The number of droplet evaporation atoms is statistically obtained, the droplet barycenter displacement is analyzed, and the density distribution and temperature distribution inside the droplet are acquired. It is shown that the droplet exhibits different characteristics on the wall at different temperatures. The droplet finally stabilizes on the wall at 85 K as shown in Fig. (a), but when the temperature of the wall rises to 150 K, the droplet evaporates slowly and finally completely as shown in Fig. (b), and for the wall temperatures 200, 250 and 300 K, the Leidenfrost phenomenon is found: the droplet is suspended above the wall as displayed in Figs. (c)–(e). Fig. (f) shows the number of evaporated atoms at different wall temperatures. It also can be seen that the Leidenfrost phenomenon occurs at wall temperatures 200, 250 and 300 K, because for the three conditions there are rise steps and then the numbers of evaporated atoms almost keep constant. For the temperature conditions under which the Leidenfrost phenomenon can occur, the higher the wall temperature, the faster the droplet evaporates, the earlier the detachment occurs from the wall, the greater the droplet detaching velocity, and the larger the final suspending droplet volume. The analyses of the density distribution and temperature distribution of the droplet at the moment when it detaches from the wall show that the evaporation process is faster and a thicker vapor layer is generated due to the higher heat flux of the high-temperature wall, which will hinder the heat exchange, so that the average temperature of the droplet is lower and the average density is smaller.
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Keywords:
- molecular dynamics /
- droplets /
- Leidenfrost phenomenon
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Guo Y L, Chen G Y, Shen S Q, Zhang J T, Wang M X, Cao X S, Zheng Z H 2015 J. Eng. Thermophys. 36 1547
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Rong S, Shen S Q, Wang T Y, Che Z Z 2019 Acta Phys. Sin. 68 154701
Google Scholar
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Cai C, Liu H, Xi X, Mudawar I 2021 J. Eng. Thermophys. 42 732
[12] 王均毅, 施红, 徐文冰, 胡亮春, 刘欢, 朱信龙 2020 航空计算技术 50 72
Wang J Y, Shi H, Xu W B, Hu L C, Liu H, Zhu X L 2020 Aeronaut. Comput. Tech. 50 72
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Zhang Y, Ning Z, Lü M, Sun C H 2017 J. Combust. Sci. Technol. 23 451
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Wang T 2015 M. S. Thesis (Dalian: Dalian University of Technology
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图 1 液滴撞击高温壁面的物理模型
Figure 1. Physical model of a droplet hitting a high-temperature wall.
图 2 径向分布函数比较图
Figure 2. Comparison of radial distribution functions.
图 3 接触角获得过程 (a) 液滴铺展原子快照; (b) 液滴密度云图; (c) 等值线拟合
Figure 3. Contact angle acquisition process: (a) Droplet spreading atomic snapshot; (b) droplet density contours; (c) contour fitting.
图 5 不同壁面温度下不同时刻的原子快照 (a) 85 K; (b) 150 K; (c) 200 K; (d) 250 K; (e) 300 K
Figure 5. Atomic snapshots with different wall temperatures at different moments: (a) 85 K; (b) 150 K; (c) 200 K; (d) 250 K; (e) 300 K.
图 6 液滴蒸发原子数目
Figure 6. Number of atoms evaporated by the droplet.
图 7 液滴的质心变化
Figure 7. Change in the center of mass of a droplet.
图 8 液滴与不同温度壁面之间的热通量
Figure 8. Heat flux between the droplet and the wall at different temperatures.
图 9 液滴脱离壁面前不同壁面温度下液滴的密度分布
Figure 9. Density distribution of droplets at different wall temperatures before droplets detach from the wall.
图 10 液滴脱离壁面前不同壁面温度下的液滴温度分布
Figure 10. Droplet temperature distribution at different wall temperatures before the droplet detached from the wall.
表 1 Lennard-Jones (12-6)各原子模拟参数
Table 1. Lennard-Jones (12-6) atomic simulation parameters.
ε/eV σ/Å rc/Å Cu 0.52031 2.29726 12 Ar 0.0104 3.405 12 Cu—Ar 0.07356 2.85113 12 
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表 2 物性参数对比
Table 2. Comparison of physical property parameters.
本文模拟 实验测量 误差 导热系数/(W⋅m–1·K–1) 0.128 0.132 3.03% 黏度/(10–4 Pa–1·s–1) 2.92 2.8 –4.28%
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表 3 不同壁面温度下蒸气层厚度、液滴厚度以及液滴平均密度的统计
Table 3. Statistics of vapor layer thickness, droplet thickness and average droplet density at different wall temperatures.
壁面
温度/K蒸气层
厚度/Å液滴
厚度/Å液滴密度/
(g⋅cm–3)150 0 10 0.95 200 14 50 1.15 250 19 35 1.21 300 23 24 1.29
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表 4 不同壁面温度下液滴平均温度、上下温差以及温度梯度
Table 4. Average droplet temperature, the temperature difference between upper and lower temperatures, and the temperature gradient at different wall temperatures.
壁面温度/K 平均温度/K 液滴上下
温差/K温度梯度/
(K·Å–1)150 140 5 0.5 200 121 33 0.65 250 107 41 1.17 300 98 47 1.95
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[1] 沈胜强, 张洁珊, 梁刚涛 2015 物理学报 64 134704
Google Scholar
Shen S Q, Zhang J S, Liang G T 2015 Acta Phys. Sin. 64 134704
Google Scholar
[2] Visaria M, Mudawar I 2009 IEEE Trans. Compon. Packaging Technol. 32 784
Google Scholar
[3] Shen S Q, Liang G T, Guo Y L, Liu R, Mu X S 2013 Desalin. Water Treat. 51 830
Google Scholar
[4] Moreira A L N, Moita A S, Panao M R 2010 Prog. Energy Combust. Sci. 36 54
Google Scholar
[5] 刘晓华, 赵一鸣, 陈石, 沈胜强, 王斯琦 2017 热科学与技术 16 280
Google Scholar
Lui X H, Zhao Y M, Chen S, Shen S Q, Wang S Q 2017 J. Therm. Sci. Technol. 16 280
Google Scholar
[6] 刘晓华, 陈晗, 王开珉, 陈石, 沈胜强 2018 热科学与技术 17 464
Google Scholar
Liu X H, Chen H, Wang K M, Chen S, Shen S Q 2018 J. Therm. Sci. Technol. 17 464
Google Scholar
[7] 梁刚涛, 郭亚丽, 沈胜强 2013 物理学报 62 184703
Google Scholar
Liang G T, Guo Y L, Shen S Q 2013 Acta Phys. Sin. 62 184703
Google Scholar
[8] 郭亚丽, 陈桂影, 沈胜强, 张京涛, 王明旭, 曹雪松, 郑周虎 2015 工程热物理学报 36 1547
Guo Y L, Chen G Y, Shen S Q, Zhang J T, Wang M X, Cao X S, Zheng Z H 2015 J. Eng. Thermophys. 36 1547
[9] Biance A L, Clanet C, Quéré D 2003 Phys. Fluids 15 1632
Google Scholar
[10] 荣松, 沈世全, 王天友, 车志钊 2019 物理学报 68 154701
Google Scholar
Rong S, Shen S Q, Wang T Y, Che Z Z 2019 Acta Phys. Sin. 68 154701
Google Scholar
[11] 蔡畅, 刘红, 奚溪, Issam Mudawar 2021 工程热物理学报 42 732
Cai C, Liu H, Xi X, Mudawar I 2021 J. Eng. Thermophys. 42 732
[12] 王均毅, 施红, 徐文冰, 胡亮春, 刘欢, 朱信龙 2020 航空计算技术 50 72
Wang J Y, Shi H, Xu W B, Hu L C, Liu H, Zhu X L 2020 Aeronaut. Comput. Tech. 50 72
[13] 张瑜, 宁智, 吕明, 孙春华 2017 燃烧科学与技术 23 451
Zhang Y, Ning Z, Lü M, Sun C H 2017 J. Combust. Sci. Technol. 23 451
[14] Rony M D, Islam M A, Thakur M S H, Islam M, Hasan M N 2023 Int. J. Heat Mass Transfer 209 124107
Google Scholar
[15] Huang X N, Zhou L P, Du X Z 2023 J. Mol. Liq. 382 121982
Google Scholar
[16] Biryukov D A, Gerasimov D N, Yurin E I 2020 J. Phys. Conf. Ser. 1683 022007
Google Scholar
[17] Tuoliken A, Zhou L P, Bai P, Du X Z 2021 Int. J. Heat Mass Transfer. 172 121218
Google Scholar
[18] Feng R T, Zhao W J, Wu X D, Xue Q J 2012 J. Colloid Interface Sci. 367 450
Google Scholar
[19] Hashmi A, Xu Y H, Coder B, Osborne P A, Spafford J, Michael G E, Yu G, Xu J 2012 Sci. Rep. 2 797
Google Scholar
[20] Wells G G, Ledesmaaguilar R, Mchale G, Sefiane K 2015 Nat. Commun. 6 6390
Google Scholar
[21] Yarnell J L, Katz M J, Wenzel R G, Koenig S H 1973 Phys. Rev. A 7 2130
Google Scholar
[22] MullerPlathe F 1997 J. Chem. Phys. 106 6082
Google Scholar
[23] Haile J M 1997 Molecular Dynamics Simulation: Elementary Methods (New York: Wiley-Interscience) p489
[24] 王甜 2015 硕士学位论文 (大连: 大连理工大学)
Wang T 2015 M. S. Thesis (Dalian: Dalian University of Technology
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