Challenges of numerical simulation of dynamic wetting phenomena: a review

Afkhami, Shahriar

doi:10.1016/j.cocis.2021.101523

Cited by 19 publications

(14 citation statements)

References 89 publications

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“…Here, the previously mentioned dynamic contact angle models play a vital role. 376,377 Another exciting research area that needs intense future research is the modeling and incorporation of contact angle hysteresis. 378 Followed by this, numerical modeling of phase change heat transfer processes is an ongoing research topic.…”

Section: Directionsmentioning

confidence: 99%

Fundamentals and Applications of Surface Wetting

Josyula,

Kumar Malla,

Thomas

et al. 2024

Langmuir

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In an era defined by an insatiable thirst for sustainable energy solutions, responsible water management, and cutting-edge lab-on-a-chip diagnostics, surface wettability plays a pivotal role in these fields. The seamless integration of fundamental research and the following demonstration of applications on these groundbreaking technologies hinges on manipulating fluid through surface wettability, significantly optimizing performance, enhancing efficiency, and advancing overall sustainability. This Review explores the behavior of liquids when they engage with engineered surfaces, delving into the farreaching implications of these interactions in various applications. Specifically, we explore surface wetting, dissecting it into three distinctive facets. First, we delve into the fundamental principles that underpin surface wetting. Next, we navigate the intricate liquid−surface interactions, unraveling the complex interplay of various fluid dynamics, as well as heat-and mass-transport mechanisms. Finally, we report on the practical realm, where we scrutinize the myriad applications of these principles in everyday processes and real-world scenarios.

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Section: Directionsmentioning

confidence: 99%

Fundamentals and Applications of Surface Wetting

Josyula,

Kumar Malla,

Thomas

et al. 2024

Langmuir

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“…For simulations with smaller , the mesh was refined at the interface to maintain roughly the same amount of elements over the interface, and the time step was reduced to ensure numerical stability. Exact numerical code used to produce the PF results is available freely from the Github repository (Lācis & Bagheri 2020-2022. The data to reproduce the figures in the main paper are available in supplementary file 1.…”

Section: Appendix B Details Of the Cahn-hilliard Pf Modelmentioning

confidence: 99%

“…2020), a theoretical consensus is yet to be reached. To a large extent, progress is hindered by a lack of understanding of the nanoscale physics of wetting phenomena (Afkhami, Gambaryan-Roisman & Pismen 2020; Afkhami 2022). For example, a fundamental question relates to the nanoscopic contact angle.…”

Section: Introductionmentioning

confidence: 99%

“…Despite the vast amount of theoretical developments that have been presented (Voinov 1976;Cox 1986;Shikhmurzaev 1994Shikhmurzaev , 1997Kalliadasis, Bielarz & Homsy 2000;Pismen & Pomeau 2000;Eggers 2004;Flitton & King 2004;Snoeijer 2006;Wilson et al 2006;Pismen & Eggers 2008;Snoeijer & Eggers 2010;Chan, Snoeijer & Eggers 2012;Nold et al 2018;Chan et al 2020), a theoretical consensus is yet to be reached. To a large extent, progress is hindered by a lack of understanding of the nanoscale physics of wetting phenomena (Afkhami, Gambaryan-Roisman & Pismen 2020;Afkhami 2022). For example, a fundamental question relates to the nanoscopic contact angle.…”

Section: Introductionmentioning

confidence: 99%

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Nanoscale sheared droplet: volume-of-fluid, phase-field and no-slip molecular dynamics

et al. 2022

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The motion of the three-phase contact line between two immiscible fluids and a solid surface arises in a variety of wetting phenomena and technological applications. One challenge in continuum theory is the effective representation of molecular motion close to the contact line. Here, we characterize the molecular processes of the moving contact line to assess the accuracy of two different continuum two-phase models. Specifically, molecular dynamics simulations of a two-dimensional droplet between two moving plates are used to create reference data for different capillary numbers and contact angles. We use a simple-point-charge/extended water model. This model provides a very small slip and a more realistic representation of the molecular physics than Lennard-Jones models. The Cahn–Hilliard phase-field model and the volume-of-fluid model are calibrated against the drop displacement from molecular dynamics reference data. It is shown that the calibrated continuum models can accurately capture droplet displacement and droplet break-up for different capillary numbers and contact angles. However, we also observe differences between continuum and atomistic simulations in describing the transient and unsteady droplet behaviour, in particular, close to dynamical wetting transitions. The molecular dynamics of the sheared droplet provide insight into the line friction experienced by the advancing and receding contact lines. The presented results will serve as a stepping stone towards developing accurate continuum models for nanoscale hydrodynamics.

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“…However, due to the immaturity of experimental conditions, there are few studies on the microscopic properties of liquid-solid interfaces [11][12][13]. Most of the research results are from molecular dynamics simulations [14,15], such as nano-friction [16], drag reduction properties [17], interfacial wetting [18], corrosion properties [19], and atomic deposition between liquidsolid interfaces [20]. It is worth mentioning that since the adhesion properties at the liquid-solid interface have been less studied, the wettability is determined by the cohesion between the liquid molecules and by the adhesive force generated by the molecular interaction between the liquid and the solid.…”

Section: Introductionmentioning

confidence: 99%

Temperature dependence of adhesion properties at liquid-aluminum/solid interfaces

Zhou²,

Wang³

et al. 2023

J. Phys.: Condens. Matter

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The adhesion problem of the liquid aluminum (Al) and solid surfaces in the production process has not been completely solved. In this paper, by performing the molecular dynamic simulations, we first establish models composed of liquid-Al/Al and liquid-Al/silicon (Si) systems, in which the region of solid temperature is from 100 K to 800 K. Then, the dependence between the adhesion force and the solid temperature is qualitatively investigated. The adhesion mechanism of liquid atoms is explored in terms of their diffusion behavior. The results show that there is an opposite effect of the temperature on adhesion properties between the liquid-Al/Al interface and the liquid-Al/Si interface. The thermal excitation effect induces enlargement of the probability of atomic collisions, which accounts for the increase of the adhesion force at the liquid-Al/Al interface. Conversely, the thermal excitation effect leads to the detachment of the atoms in contact with each other, which reduces the adhesion force at the liquid-Al/Si interface. Our findings reveal that the solid Al surface is aluminophilic but the solid Si surface is aluminophobic. In addition, the adhesion between liquid-Al and solid surfaces can be explained by the variation of the interfacial potential.

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Challenges of numerical simulation of dynamic wetting phenomena: a review

Cited by 19 publications

References 89 publications

Fundamentals and Applications of Surface Wetting

Fundamentals and Applications of Surface Wetting

Nanoscale sheared droplet: volume-of-fluid, phase-field and no-slip molecular dynamics

Temperature dependence of adhesion properties at liquid-aluminum/solid interfaces

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