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Computational fluid dynamics models often employ the free shear boundary condition at free surfaces, a result from the continuity of the stress and the large viscosity contrast at liquid–gas interfaces. This study leverages nonequilibrium molecular dynamics simulations to investigate the validity of the free shear boundary condition on the exposed surface of a liquid meniscus at the nanoscale. The primary objective is elucidating the fundamental mechanisms and behavior of fluid interactions within a capillary meniscus formed between two carbon nanotubes (CNTs) in shear-driven flow. Shear-driven flow simulations were conducted by varying the velocity of a solid slab to induce different shear rates in the adjacent water molecules. The results demonstrate, for the first time, negligible shear at the free surface, supporting the free shear assumption from the nanoscale point of view. A force balance analysis reveals that capillary and surface tension forces dominate within the meniscus, dictating its shape and stability. Meniscus deformation was observed and primarily attributed to interatomic interactions between water molecules and CNTs, driven by a combination of short-range repulsive forces and van der Waals attractions. The minimal contribution from shear forces suggests that interatomic forces, rather than applied shear stress, are the primary drivers of the meniscus deformation. These findings offer valuable insights into fluid behavior and a sound fundamental analysis of the free shear boundary condition at the nanoscale.
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Marangoni-induced reversal of meniscus-climbing microdroplets
Small water droplets or particles located at an oil meniscus typically climb the meniscus due to unbalanced capillary forces. Here, we introduce a size-dependent reversal of this meniscus-climbing behavior, where upon cooling of the underlying substrate, droplets of different sizes concurrently ascend and descend the meniscus. We show that microscopic Marangoni convection cells within the oil meniscus are responsible for this phenomenon. While dynamics of relatively larger water microdroplets are still dominated by unbalanced capillary forces and hence ascend the meniscus, smaller droplets are carried by the surface flow and consequently descend the meniscus. We further demonstrate that the magnitude and direction of the convection cells depend on the meniscus geometry and the substrate temperature and introduce a modified Marangoni number that well predicts their strength. Our findings provide a new approach to manipulating droplets on a liquid meniscus that could have applications in material self-assembly, biological sensing and testing, or phase change heat transfer.
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- Award ID(s):
- 1856722
- PAR ID:
- 10429812
- Date Published:
- Journal Name:
- Soft Matter
- Volume:
- 19
- Issue:
- 4
- ISSN:
- 1744-683X
- Page Range / eLocation ID:
- 625 to 633
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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- Free Publicly Accessible Full Text
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Accepted Manuscript1.0
- Journal Article:
- https://doi.org/10.1039/D2SM00979J
