Nanodroplet bouncing behaviors of bonded graphene-carbon nanotube hybrid film

IF 3.1 3区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY
Ning Wang , Yushun Zhao , Zhenxing Cao , Gong Cheng , Junjiao Li , Guoxin Zhao , Yuna Sang , Chao Sui , Xiaodong He , Chao Wang
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Abstract

In recent times, the bonded graphene and carbon nanotubes (CNTs) hybrid (BGCH) film has garnered considerable attention due to its exceptional mechanical, thermal, and electrical properties. Its inherent hydrophobic characteristics render it promising for diverse applications such as seawater desalination and anti-icing strategies. However, the wettability, particularly the dynamics of water droplet impact on the film surface, remains unclear. In this study, employing molecular dynamics simulations, we constructed a model of the BGCH film and observed four distinct impact phenomena (ball bouncing, spreading, retraction, pancake bouncing) when water droplets struck BGCH with short CNTs. Notably, at a velocity of 12 Å/ps, a pancake bouncing pattern emerged, markedly reducing the duration of solid–liquid contact. Moreover, the impact behaviors were found to be intricately linked to the structural parameters and inclined impact induced droplet flow on the substrate surface, augmenting the contact time. Furthermore, longer CNTs dissipated more energy from the water droplet through structural deformation. This work systematically investigates the nanodroplet bouncing behaviors of BGCH, providing theoretical insights for their applications in hydrophobicity fields.

Abstract Image

键合石墨烯-碳纳米管混合薄膜的纳米液滴反弹行为
近来,石墨烯和碳纳米管(CNTs)键合混合(BGCH)薄膜因其卓越的机械、热和电特性而备受关注。其固有的疏水特性使其在海水淡化和防冰策略等多种应用中大有可为。然而,其润湿性,尤其是水滴对薄膜表面的动态影响仍不清楚。在本研究中,我们利用分子动力学模拟构建了 BGCH 薄膜模型,并观察了水滴撞击带有短 CNT 的 BGCH 时的四种不同撞击现象(球状反弹、扩散、回缩、薄饼反弹)。值得注意的是,在速度为 12 Å/ps 时,出现了薄饼弹跳模式,明显缩短了固液接触的持续时间。此外,还发现撞击行为与结构参数和倾斜撞击诱导的基底表面液滴流动密切相关,从而延长了接触时间。此外,较长的 CNT 通过结构变形从水滴中消散了更多能量。这项工作系统地研究了 BGCH 的纳米水滴反弹行为,为其在疏水领域的应用提供了理论依据。
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来源期刊
Computational Materials Science
Computational Materials Science 工程技术-材料科学:综合
CiteScore
6.50
自引率
6.10%
发文量
665
审稿时长
26 days
期刊介绍: The goal of Computational Materials Science is to report on results that provide new or unique insights into, or significantly expand our understanding of, the properties of materials or phenomena associated with their design, synthesis, processing, characterization, and utilization. To be relevant to the journal, the results should be applied or applicable to specific material systems that are discussed within the submission.
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