We introduce a scheme which gives rise to additional degree of freedom for the same number of discrete velocities in the context of the lattice Boltzmann model. We show that an off-lattice D3Q27 model exists with correct equilibrium to recover Galilean-invariant form of Navier-Stokes equation (without any cubic error). In the first part of this work, we show that the present model can capture two important features of the microflow in a single component gas: Knudsen boundary layer and Knudsen Paradox. Finally, we present numerical results corresponding to Couette flow for two representative Knudsen numbers. We show that the off-lattice D3Q27 model exhibits better accuracy as compared to more widely used on-lattice D3Q19 or D3Q27 model. Finally, our construction of discrete velocity model shows that there is no contradiction between entropic construction and quadrature-based procedure for the construction of the lattice Boltzmann model.
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http://dx.doi.org/10.1103/PhysRevE.82.046701 | DOI Listing |
ACS 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.
View Article and Find Full Text PDFPhys Rev E
November 2024
Graduate Aerospace Laboratories and Department of Applied Physics, California Institute of Technology, Pasadena, California 91125, USA.
Moment methods are often used to solve transport problems involving the Boltzmann-BGK equation. Because the moment equations are underdetermined, these methods require an additional "closure equation" that relates higher to lower-order moments. Here, we examine the closure equation and higher-order moment relations implicit in the lattice Boltzmann method (LBM) that use Gauss-Hermite quadrature for their discrete velocity sets.
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