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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…
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,…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…