In this study, the dynamics of initially stationary liquid drops on smooth and topographic inclined silicon surfaces was investigated experimentally and by lattice Boltzmann simulations. The transient contact angles and the critical angle of inclination were measured systematically for different liquids, drop sizes, and surfaces having different wettability and surface roughness. In general, the critical angle of inclination is larger for hydrophilic than for hydrophobic surfaces, irrespective of the liquids, and increases with increasing contact angle hysteresis and decreasing drop sizes. A two-phase liquid-vapor lattice Boltzmann model based on the Shan and Chen approach was developed for two dimensions which incorporates the wetting and topographic characteristics of the surface. The simulation results matched the experimentally found features quantitatively and allowed one to explore the roll-off behavior even in cases that can hardly be accessed experimentally.
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Bioinspir Biomim
January 2025
Chongqing Jiaotong University, No. 66, Xuefu Avenue, Nanan District, Chongqing City, Chongqing, Chongqing, 400074, CHINA.
The study of fish swimming behaviours and locomotion mechanisms holds significant scientific and engineering value. With the rapid advancements in artificial intelligence, a new method combining deep reinforcement learning (DRL) with computational fluid dynamics (CFD) has emerged and been applied to simulate the autonomous behavior of higher organisms like fish. However, the scale of this cross-disciplinary method is directly affected by the efficiency of the DRL model.
View Article and Find Full Text PDFACS Appl Mater Interfaces
January 2025
College of Material, Chemistry and Chemical Engineering, Hangzhou Normal University, Hangzhou 311121, P. R. China.
Thermoelectric technology enables the direct and reversible conversion of heat into electrical energy without air pollution. Herein, the stability, electronic structure, and thermoelectric properties of methoxy-functionalized MC(OMe) (M = Sc, Ti, V, Cr, Y, Zr, Nb, Mo, Hf, Ta, and W) were systematically investigated using first-principles calculations and semiclassical Boltzmann transport theory. All MXenes, except those with M = Cr, Mo, and W, can be synthesized by substituting Cl- and Br-functionalized MXenes with deprotonated methanol, with stability governed by the M-O bond strength.
View Article and Find Full Text PDFPNAS Nexus
January 2025
Université Paris Cité, CNRS, Laboratoire de Biochimie Théorique, 13 rue Pierre et Marie Curie, Paris 75005, France.
The driving mechanisms at the base of the clearance of biological wastes in the brain interstitial space (ISS) are still poorly understood and an actively debated subject. A complete comprehension of the processes that lead to the aggregation of amyloid proteins in such environment, hallmark of the onset and progression of Alzheimer's disease, is of crucial relevance. Here we employ combined computational fluid dynamics and molecular dynamics techniques to uncover the role of fluid flow and proteins transport in the brain ISS.
View Article and Find Full Text PDFNanomaterials (Basel)
December 2024
Marine Engineering College, Dalian Maritime University, Dalian 116026, China.
Proton exchange membrane fuel cells (PEMFCs) are being pursued for applications in the maritime industry to meet stringent ship emissions regulations. Further basic research is needed to improve the performance of PEMFCs in marine environments. Assembly stress compresses the gas diffusion layer (GDL) beneath the ribs, significantly altering its pore structure and internal transport properties.
View Article and Find Full Text PDFJ R Soc Interface
December 2024
Université Grenoble Alpes, CNRS, LIPhy, Grenoble 38000, France.
Nitric oxide (NO) is an important vasodilator responsible for maintaining vascular tone in the human body. Its production in endothelial cells (ECs) is regulated by the rise of cytoplasmic Ca concentration and shear stress perceived by blood flow. The increase in cytoplasmic Ca concentration is mainly activated by adenosine triphosphate (ATP) released from red blood cells (RBCs) and ECs.
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