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In this article we discuss nonstationary models for inhomogeneous liquid crystals driven out of equilibrium by flow. Emphasis is put on those models which are used in the mathematics as well as in the physics literature, the overall goal…
The emergence of new nanoporous materials, based e.g. on 2D materials, offers new avenues for water filtration and energy. There is accordingly a need to investigate the molecular mechanisms at the root of the advanced performances of these…
Ten years ago, relativistic viscous fluid dynamics was formulated from first principles in an effective field theory framework, based entirely on the knowledge of symmetries and long-lived degrees of freedom. In the same year, numerical…
A multi-relaxation-time discrete Boltzmann model (DBM) with split collision is proposed for both subsonic and supersonic compressible reacting flows, where chemical reactions take place among various components. The physical model is based…
We describe here a model for inelastic collisions for electronic excitation and deexcitation processes in a general, multifluid plasma. The model is derived from kinetic theory, and applicable to any mixture and mass ratio. The principle of…
Accurate aerodynamic and aerothermodynamic predictions are crucial for numerous hypersonic applications. This paper proposes a gas-kinetic scheme (GKS) coupled with a two-temperature kinetic model, which distinguishes between the…
We propose a multi-component discrete Boltzmann model (DBM) for premixed, nonpremixed, or partially premixed nonequilibrium reactive flows. This model is suitable for both subsonic and supersonic flows with or without chemical reaction…
The molecular energies of chemical systems have been successfully calculated on quantum computers, however, more attention has been paid to the dynamic process of chemical reactions in practical application, especially in catalyst design,…
In this paper, we present a novel model-agnostic machine learning technique to extract a reduced thermochemical model for reacting hypersonic flows simulation. A first simulation gathers all relevant thermodynamic states and the…
The purpose of this paper is to deal with the issue of well-posedness for a class of non-Newtonian fluid dynamics equations. These sets of equations are commonly used to describe various complex models that appear in nature, industry, and…
The flow-induced vibration of bluff bodies is an important problem of many marine, civil, or mechanical engineers. In the design phase of such structures, it is vital to obtain good predictions of the fluid forces acting on the structure.…
We develop our recently proposed lattice-Boltzmann method for the non-equilibrium dynamics of amphiphilic fluids (Chen, Boghosian, Coveney and Nekovee, Proc. Roy. Soc. London A, 456, 1431 (2000).) Our method maintains an orientational…
We deal with a three dimensional model based on the use of barycentric velocity that describes unsteady flows of a heat conducting electrically charged multicomponent chemically reacting non-Newtonian fluid. We show that under certain…
Both discrete and continuum models have been widely used to study rapid granular flow, discrete model is accurate but computationally expensive, whereas continuum model is computationally efficient but its accuracy is doubtful in many…
We propose a kinetic framework for single-component non-ideal isothermal flows. Starting from a kinetic model for a non-ideal fluid, we show that under conventional scaling the Navier-Stokes equations with a non-ideal equation of state are…
The construction of a generalized (higher-order) nonlinear thermo-hydrodynamics, based on a nonequilibrium ensemble formalism has been presented in the preceding article. The working of such theory is illustrated in the present one. We…
Coarse-graining of fully atomistic molecular dynamics simulations is a long-standing goal in order to allow the description of processes occurring on biologically relevant timescales. For example, the prediction of pathways, rates and…
A general diffuse interface model with a realistic equation of state (e.g. Peng-Robinson equation of state) is proposed to describe the multi-component two-phase fluid flow based on the principles of the NVT-based framework which is a…
Multi-component lattice Boltzmann models operating in a wide range of fluid viscosity values are developed and examined. The algorithm is constructed with the goal to enable engineering applications without sacrificing simplicity and…
CFD-DEM is used to simulate solid-fluid systems. DEM models the motion of discrete particles while CFD models the fluid phase. Coupling both necessitates the calculation of the void fraction and the solid-fluid forces resulting in a…