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We propose a general methodology for calculating the self-diffusion tensor from molecular dynamics for a liquid with a liquid-gas or liquid-solid interface. The standard method used in bulk fluids, based on computing the mean square…

化学物理 · 物理学 2007-05-23 Pu Liu , Edward Harder , B. J. Berne

Atmosphere-breathing electric propulsion systems harness atmospheric particles as propellant, enabling efficient operation across diverse environmental conditions. To accurately simulate the captured gas flow through the modules,…

流体动力学 · 物理学 2025-08-18 M. B. Agir , N. H. Crisp , K. L. Smith , P. C. E. Roberts , M. Newsam , M. Griffiths , S Vaidya

The letter considers non-isothermal fluid flows and revises simplifications of basic hydrodynamic equations for such flows arriving eventually to a generalization of the Oberbeck-Boussinesq approximation valid for arbitrary equation of…

流体动力学 · 物理学 2009-02-18 Victor S. L'vov , Oleksii Rudenko

Most of the lattice Boltzmann methods simulate an approximation of the sharp interface problem of dissolution and precipitation. In such studies the curvature-driven motion of interface is neglected in the Gibbs-Thomson condition. In order…

计算工程、金融与科学 · 计算机科学 2022-02-07 Téo Boutin , Werner Verdier , Alain Cartalade

We present a space-time extension of a conservative Cartesian cut-cell finite-volume method for two-phase diffusion problems with prescribed interface motion. The formulation follows a two-fluid approach: one scalar field is solved in each…

计算物理 · 物理学 2026-01-01 Louis Libat , Can Selçuk , Eric Chénier , Vincent Le Chenadec

This study presents an advanced sharp-interface immersed boundary method (IBM) integrated with the blastFOAM library on the OpenFOAM platform for high-speed compressible flow simulations. The developed solver extends the existing IBM…

经典物理 · 物理学 2026-02-18 Punit Pandey , Ankit Bansal , Krishna Mohan Singh , Yannick Hoarau

Phenomenological theories of interfacial interactions have targeted terrestrial applications since long time and their exploitation has inspired our research programme to build up a macroscopic theory of gas-surface interactions targeting…

计算物理 · 物理学 2019-03-20 Domenico Giordano , Pablo Solano-López , Josè Manuel Donoso

We study the thermodynamical properties of a one-dimensional gas with one-dimensional gravitational interactions, and placed in a uniform mass background. Periodic boundary conditions are implemented as a modification of the potential…

统计力学 · 物理学 2017-02-22 Pankaj Kumar , Bruce N. Miller , Dan Pirjol

Rayleigh-B\'{e}nard convection in horizontal layers of binary fluid mixtures heated from below with realistic horizontal boundary conditions is studied theoretically using multi-mode Galerkin expansions. For positive separation ratios the…

patt-sol · 物理学 2017-05-17 B. Huke , M. Lücke , P. Büchel , Ch. Jung

Modeling the chemical, electric, and thermal transport as well as phase transitions and the accompanying mesoscale microstructure evolution within a material in an electronic device setting involves the solution of partial differential…

数值分析 · 数学 2024-09-26 Xiaofeng Xu , Lian Zhang , Yin Shi , Long-Qing Chen , Jinchao Xu

We investigate a new diffuse-interface model that describes creeping two-phase flows (i.e., flows exhibiting a low Reynolds number), especially flows that permeate a porous medium. The system of equations consists of a Brinkman equation for…

偏微分方程分析 · 数学 2025-09-15 Pierluigi Colli , Patrik Knopf , Giulio Schimperna , Andrea Signori

A systematics of grain boundary (GB) segregation transitions and critical phenomena has been derived to expand the classical GB segregation theory. Using twist GBs as an example, this study uncovers when GB layering vs. prewetting…

材料科学 · 物理学 2022-01-20 Naixie Zhou , Chongze Hu , Jian Luo

The propagation and roughening of a liquid-gas interface moving through a disordered medium under the influence of capillary forces is considered. The system is described by a phase-field model with conserved dynamics and spatial disorder…

统计力学 · 物理学 2009-10-31 M. Dube , M. Rost , K. Elder , M. Alava , S. Majaniemi , T. Ala-Nissila

Semi-empirical procedure of obtaining the boundary conditions for strong evaporation of a polyatomic gas from a plane surface is proposed. The procedure is based on specifying the dependencies of specific momentum and enthalpy of the flow…

流体动力学 · 物理学 2007-05-23 Petr A. Skovorodko

Half-space problems in the kinetic theory of gases are of great importance in the study of the asymptotic behavior of solutions of boundary value problems for the Boltzmann equation for small Knudsen numbers. In this work a generally…

偏微分方程分析 · 数学 2024-01-09 Niclas Bernhoff

In this contribution I discuss a recent proposal of a novel action for lattice gauge theory for finite systems, which accommodates non-periodic spatial boundary conditions. Drawing on the summation-by-parts formulation of finite differences…

高能物理 - 格点 · 物理学 2021-09-01 Alexander Rothkopf

Compressibility transformations are used to relate hypersonic zero-pressure-gradient (ZPG) turbulent boundary layers (TBLs) to incompressible reference states, but their assessment has largely focused on the collapse of transformed mean…

流体动力学 · 物理学 2025-12-11 Engin Danis

We develop a mixed formulation for incompressible hyper-elastodynamics based on a continuum modeling framework recently developed and smooth generalizations of the Taylor-Hood element based on non-uniform rational B-splines (NURBS). This…

数值分析 · 数学 2019-08-13 Ju Liu , Alison L. Marsden , Zhen Tao

This paper is devoted to the theoretical and numerical investigation of the initial boundary value problem for a system of equations used for the description of waves in coastal areas, namely, the Boussinesq-Abbott system in the presence of…

偏微分方程分析 · 数学 2024-02-07 David Lannes , Mathieu Rigal

A Rayleigh B\'enard instability study using the energy conserving dissipative particle dynamics method is presented here for the first time. The simulation is performed on an ideal dissipative particle dynamics fluid in a three dimensional…

统计力学 · 物理学 2012-01-19 Anuj Chaudhri , Jennifer R. Lukes