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In last years a great interest was brought to molecular transport problems at nanoscales, such as surface diffusion or molecular flows in nano or sub-nano-channels. In a series of papers V. D. Borman, S. Y. Krylov, A. V. Prosyanov and J. J.…

偏微分方程分析 · 数学 2014-04-08 Kazuo Aoki , Pierre Charrier , Pierre Degond

We extend to multi-dimensions the work of [1], where new fully explicit kinetic methods were built for the approximation of linear and non-linear convection-diffusion problems. The fundamental principles from the earlier work are retained:…

数值分析 · 数学 2023-12-29 Gauthier Wissocq , Rémi Abgrall

The kinetic theory for a fluid of hard spheres which undergo endothermic and/or exothermic reactions with mass transfer is developed. The exact balance equations for concentration, density, velocity and temperature are derived. The Enskog…

统计力学 · 物理学 2007-05-23 James F. Lutsko

In the present paper we give a brief summary of some recent theoretical advances in the treatment of inhomogeneous fluids and methods which have applications in the study of dynamical properties of liquids in situations of extreme…

统计力学 · 物理学 2015-07-15 Umberto Marini Bettolo Marconi , Simone Melchionna

We present the detailed analysis of the diffusive transport of spatially inhomogeneous fluid mixtures and the interplay between structural and dynamical properties varying on the atomic scale. The present treatment is based on different…

介观与纳米尺度物理 · 物理学 2011-05-19 Umberto Marini Bettolo Marconi , Simone Melchionna

Many features of granular media can be modelled as a fluid of hard spheres with {\em inelastic} collisions. Under rapid flow conditions, the macroscopic behavior of grains can be described through hydrodynamic equations. At low-density, a…

统计力学 · 物理学 2009-11-13 Vicente Garzo

Large-scale molecular dynamics simulations are used to simulate a layer of nanoparticles diffusing on the surface of a liquid. Both a low viscosity liquid, represented by Lennard-Jones monomers, and a high viscosity liquid, represented by…

软凝聚态物质 · 物理学 2013-01-10 Shengfeng Cheng , Gary S. Grest

In this work, we aimed to replicate and extend the results presented in the DiffFluid paper[1]. The DiffFluid model showed that diffusion models combined with Transformers are capable of predicting fluid dynamics. It uses a denoising…

流体动力学 · 物理学 2025-07-14 Yannick Gachnang , Vismay Churiwala

Self-diffusion along the longitudinal coordinate in a channel of varying cross section is considered. The starting point is the two-dimensional Enskog-Boltzmann-Lorentz kinetic equation with appropriated boundary conditions. It is…

统计力学 · 物理学 2024-07-08 J. Javier Brey , M. I. García de Soria , P. Maynar

By combining methods of kinetic and density functional theory, we present a description of molecular fluids which accounts for their microscopic structure and thermodynamic properties as well as for the hydrodynamic behavior. We focus on…

介观与纳米尺度物理 · 物理学 2015-05-18 Umberto Marini Bettolo Marconi , Simone Melchionna

The purpose of this paper is to study the properties of kinetic models for traffic flow described by a Boltzmann-type approach and based on a continuous space of microscopic velocities. In our models, the particular structure of the…

数值分析 · 数学 2016-12-30 Gabriella Puppo , Matteo Semplice , Andrea Tosin , Giuseppe Visconti

Surfactant transport is central to a diverse range of natural phenomena, and for many practical applications in physics and engineering. Surprisingly, this process remains relatively poorly understood at the molecular scale. This study…

软凝聚态物质 · 物理学 2025-04-16 Muhammad Rizwanur Rahman , James P. Ewen , Li Shen , D. M. Heyes , Daniele Dini , E. R. Smith

In this paper we present the molecular theory of viscosity of confined fluids in small or nano systems. This theory is also applicable to the interfacial viscosity. The basis of this research work is the Enskog kinetic theory and the…

统计力学 · 物理学 2008-06-16 B. Mirzayi , G. A. Mansoori , M. Vafaie-Sefti

Kinetic theory of dissipative particle dynamics is developed in terms of a Boltzmann pair collision theory. The kinetic transport coefficients are computed from explicit collision integrals and compared favourably with detailed simulations.…

统计力学 · 物理学 2009-10-31 A. J. Masters , P. B. Warren

Gas permeation through nanoscale pores is ubiquitous in nature and plays an important role in a plethora of technologies. Because the pore size is typically smaller than the mean free path of gas molecules, their flow is conventionally…

介观与纳米尺度物理 · 物理学 2018-06-25 A. Keerthi , A. K. Geim , A. Janardanan , A. P. Rooney , A. Esfandiar , S. Hu , S. A. Dar , I. V. Grigorieva , S. J. Haigh , F. C. Wang , B. Radha

We study the time evolution and driven motion of thin liquid films lying on top of chemical patterns on a substrate. Lattice-Boltzmann and molecular dynamics methods are used for simulations of the flow of microscopic and nanoscopic films,…

软凝聚态物质 · 物理学 2012-04-04 Fabian Dörfler , Markus Rauscher , Joel Koplik , Jens Harting , S. Dietrich

The use of ultra-thin, i.e., monolayer films plays an important role for the emerging field of nano-fluidics. Since the dynamics of such films is governed by the interplay between substrate-fluid and fluid-fluid interactions, the transport…

其他凝聚态物理 · 物理学 2009-11-11 M. N. Popescu , S. Dietrich , G. Oshanin

In the present contribution, we derive from kinetic theory a unified fluid model for multicomponent plasmas by accounting for the electromagnetic field influence. We deal with a possible thermal nonequilibrium of the translational energy of…

等离子体物理 · 物理学 2011-03-07 Benjamin Graille , Thierry E. Magin , Marc Massot

Understanding the transport of particles immersed in a carrier fluid (bedload transport) is still an exciting challenge. Among the different types of gas-solid flows, when the dynamics of solid particles is essentially dominated by…

统计力学 · 物理学 2023-07-28 Vicente Garzó

We present the state-of-the-art theoretical modeling, molecular simulation, and coarse-graining strategies for the transport of gases and liquids in nanoporous materials (pore size 1-100 nm). Special emphasis is placed on the transport of…

软凝聚态物质 · 物理学 2025-01-29 Alexander Schlaich , Jean-Louis Barrat , Benoit Coasne
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