A boundary condition for lattice Boltzmann methods, based on the movement of information through Euler characteristic directions, is developed. With respect to the similar conditions used in finite-difference or finite-volume implementations, some corrections are needed to compensate the isothermal compressible nature of standard lattice Boltzmann methods for fluid flow. The results show that the proposed method for inlets and outlets is highly nonreflecting, and mass conserving.
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http://dx.doi.org/10.1103/PhysRevE.78.046707 | DOI Listing |
Langmuir
January 2025
CNNFM Lab, School of Mechanical Engineering, College of Engineering, University of Tehran, P.O. Box 11155-4563 Tehran, Iran.
This study investigates the impact of cell dynamics on mixing efficiency within a microfluidic droplet, emphasizing the relationship between cell motion, deformability, and resultant asymmetry in velocity and concentration fields. Simulations were conducted for droplets containing encapsulated cells at varying Peclet numbers ( = 100-800) and coupling constants ( = 0.0025, 0.
View Article and Find Full Text PDFHeliyon
January 2025
Department of Physics, University of Rajshahi, Rajshahi, 6205, Bangladesh.
The present study focuses on the ground state mechanical, acoustic, thermodynamic and electronic transport properties of NaSbS polymorphs using the density functional theory (DFT) and semi-classical Boltzmann transport theory. The mechanical stability of the polymorphs is affirmed by the calculated elastic tensor. The calculated elastic properties asserted that all the polymorphs exhibit soft, brittle, anisotropic nature containing dominant covalent bonding.
View Article and Find Full Text PDFBioinspir Biomim
January 2025
Southwest Research Institute for Hydraulic and Water Transport Engineering, Chongqing Jiaotong University, Chongqing, People's Republic of 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 has emerged and been applied to simulate the fish's adaptive swimming behaviour, where the complex fish behaviour is decoupled to focus on the fish's response to the hydrodynamic field, and the simulation is driven by reward-based objectives to model the fish's swimming behaviour. 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.
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