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二元纳米液滴在粗糙表面上的撞击:一项分子动力学研究。

Impingement of binary nanodroplets on rough surfaces: a molecular dynamics study.

作者信息

Xue Yibing, Wang Haichao, Huang Shuaichang, Bie Xiaoye, Wang Gang, Fang Ming

机构信息

School of Artificial Intelligence, Changchun University of Science and Technology, Changchun, 130022, China.

Jilin Jiangji Special Industries Co., Ltd, Jilin, 132000, China.

出版信息

Sci Rep. 2024 Aug 16;14(1):19030. doi: 10.1038/s41598-024-69986-0.

DOI:10.1038/s41598-024-69986-0
PMID:39152235
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11329731/
Abstract

Roughness or texture endow the solid surface with the ability of some particular property of water repellency that has been employed in a variety of practical applications, including self-cleaning, icing-resistant, and so forth. However, the understanding of the dynamic evolution of impacting binary droplets on rough surfaces is not satisfactory, especially at the nanoscale. In this work, we investigate the impact process of the binary droplet system, a suspending droplet impacts a sessile one deposited on hydrophobic textured surfaces, via molecular dynamics (MD) simulations. Dynamic evolutions from MD simulations under various impact conditions are discussed, including coalescence, spreading, retraction and vibration, and bouncing. The free energy variation during the impacting process is calculated to reveal the mechanisms behind the impact dynamics. The effect of the surface texture on the spreading and retraction is investigated, and the corresponding maximum spreading diameter is also discussed. Finally, we investigate the effect of the surface texture on bouncing behavior, which is found to promote the droplet bouncing at low We range but suppress the bouncing behavior at high We range.

摘要

粗糙度或纹理赋予固体表面某种特定的疏水特性,这种特性已被应用于各种实际应用中,包括自清洁、抗结冰等。然而,对于粗糙表面上二元液滴撞击的动态演变的理解并不令人满意,尤其是在纳米尺度上。在这项工作中,我们通过分子动力学(MD)模拟研究了二元液滴系统的撞击过程,即一个悬浮液滴撞击沉积在疏水纹理表面上的静态液滴。讨论了在各种撞击条件下MD模拟的动态演变,包括聚并、铺展、回缩和振动以及反弹。计算了撞击过程中的自由能变化,以揭示撞击动力学背后的机制。研究了表面纹理对铺展和回缩的影响,并讨论了相应的最大铺展直径。最后,我们研究了表面纹理对反弹行为的影响,发现它在低韦伯数范围内促进液滴反弹,但在高韦伯数范围内抑制反弹行为。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/25dd/11329731/8cfb80e9e9e4/41598_2024_69986_Fig11_HTML.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/25dd/11329731/242cf88adca3/41598_2024_69986_Fig1_HTML.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/25dd/11329731/3a86204b4f9d/41598_2024_69986_Fig3_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/25dd/11329731/9a7a6ee09a88/41598_2024_69986_Fig4_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/25dd/11329731/5a80ba91d1cd/41598_2024_69986_Fig5_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/25dd/11329731/7609f488b5f4/41598_2024_69986_Fig6_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/25dd/11329731/7cb46bf9375b/41598_2024_69986_Fig7_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/25dd/11329731/709a72b71aec/41598_2024_69986_Fig8_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/25dd/11329731/f2e6ee01f173/41598_2024_69986_Fig9_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/25dd/11329731/5351ee806754/41598_2024_69986_Fig10_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/25dd/11329731/8cfb80e9e9e4/41598_2024_69986_Fig11_HTML.jpg

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本文引用的文献

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Effects of Nanodroplet Sizes on Wettability, Electrowetting Transition, and Spontaneous Dewetting Transition on Nanopillar-Arrayed Surfaces.纳米液滴尺寸对纳米柱阵列表面润湿性、电润湿转变和自发去湿转变的影响
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