Chapman-Enskog Expansion Research Articles

An implicit adaptive unified gas-kinetic scheme for steady-state solutions of nonequilibrium flows

In recent years, nonequilibrium flows have been frequently encountered in various aerospace engineering and micro-electro-mechanical systems applications. To understand nonequilibrium physics, multiscale effects, and the dynamics in these applications, a reliable multiscale scheme for all flow regimes is required. Following the direct modeling methodology, the adaptive unified gas-kinetic scheme employs discrete velocity space to accurately capture the nonequilibrium physics, recovering the original unified gas-kinetic scheme (UGKS). By adaptively employing continuous distribution functions based on the Chapman–Enskog expansion, it efficiently handles near-equilibrium flow regions. The two regions are dynamically coupled at the cell interface through the fluxes from the discrete and continuous gas distribution functions, thereby avoiding any buffer zone between them. In this study, an implicit adaptive unified gas-kinetic scheme (IAUGKS) is constructed to further enhance the efficiency of steady-state solutions. The current scheme employs implicit macroscopic governing equations and couples them with implicit microscopic governing equations within the nonequilibrium region, resulting in high convergence efficiency in all flow regimes. To validate the efficiency and robustness of the IAUGKS, a series of numerical tests were conducted for high Mach number flows around diverse geometries. The current scheme can capture the nonequilibrium physics and provide accurate predictions of surface quantities. In comparison with the original UGKS, the velocity space adaptation, unstructured discrete velocity space, and implicit iteration significantly improve the efficiency by one or two orders of magnitude. Given its exceptional efficiency and accuracy, the IAUGKS serves as an effective tool for nonequilibrium flow simulations.

A new local and explicit kinetic method for linear and non-linear convection-diffusion problems with finite kinetic speeds: II. Multi-dimensional case

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: (1) rather than aiming for the desired equations in the strict limit of a vanishing relaxation parameter, as is commonly done in the diffusion limit of kinetic methods, diffusion terms are sought as a first-order correction of this limit in a Chapman-Enskog expansion, (2) introducing a coupling between the conserved variables within the relaxation process by a specifically designed collision matrix makes it possible to systematically match a desired diffusion. Extending this strategy to multi-dimensions cannot, however, be achieved through simple directional splitting, as diffusion is likely to couple space directions with each other, such as with shear viscosity in the Navier-Stokes equations. In this work, we show how rewriting the collision matrix in terms of moments can address this issue, regardless of the number of kinetic waves, while ensuring conservation systematically. This rewriting allows for introducing a new class of kinetic models called regularized models, simplifying the numerical methods and establishing connections with Jin-Xin models. Subsequently, new explicit arbitrary high-order kinetic schemes are formulated and validated on standard two-dimensional cases from the literature. Excellent results are obtained in the simulation of a shock-boundary layer interaction, validating their ability to approximate the Navier-Stokes equations with kinetic speeds obeying nothing but a subcharacteristic condition along with a hyperbolic constraint on the time step.

Measurements of diffusion coefficient and kinetic diameter of acetone vapor via molecular tagging

The Molecular Tagging (MT) technique is a promising methodology for locally measuring velocity and temperature fields in rarefied gas flows. Recently, Molecular Tagging Velocimetry (MTV) has been successfully applied to gas flows in mini-channels in the continuum regime at high pressure and early slip-flow regime at lower pressure. As the operating pressure decreases, diffusion effects become more pronounced, and in MTV, they hinder the extraction of the correct velocity profile by simply dividing the displacement profile of the tagged molecular line by time of flight. To address this issue, a reconstruction method that considers Taylor dispersion was previously developed to extract the velocity profile, considering the diffusion effects of the tracer molecules within the carrier gas. This reconstruction method successfully extracted the correct velocity profile in the continuum flow regime. However, the method still faces challenges in the slip-flow regime. Since there is currently no consensus in the literature regarding the kinetic diameter value of acetone vapor, the diffusion coefficient estimation is uncertain especially at low pressures. This is why, in this study, we propose an original optical method to measure the diffusion coefficient of acetone vapor. This is achieved by linking the temporal evolution of the spatial photoluminescence distribution of acetone vapor to the diffusion coefficient via the Chapman-Enskog theory. Our research provides measurements of these parameters for a wide range of pressures (0.5–10 kPa) at ambient temperature.

Modeling heat conduction with dual-dissipative variables: A mechanism-data fusion method.

Many macroscopic non-Fourier heat conduction models have been developed in the past decades based on Chapman-Enskog, Hermite, or other small perturbation expansion methods. These macroscopic models have achieved great success in capturing non-Fourier thermal behaviors in solid materials, but most of them are limited by small Knudsen numbers and incapable of capturing highly nonequilibrium or ballistic thermal transport. In this paper, we provide a different strategy for constructing macroscopic non-Fourier heat conduction modeling, that is, using data-driven deep-learning methods combined with nonequilibrium thermodynamics instead of small perturbation expansion. We present the mechanism-data fusion method, an approach that seamlessly integrates the rigorous framework of conservation-dissipation formalism (CDF) with the flexibility of machine learning to model non-Fourier heat conduction. Leveraging the conservation-dissipation principle with dual-dissipative variables, we derive an interpretable series of partial differential equations, fine tuned through a training strategy informed by data from the phonon Boltzmann transport equation. Moreover, we also present the inner-step operation to narrow the gap from the discrete form to the continuous system. Through numerical tests, our model demonstrates excellent predictive capabilities across various heat conduction regimes, including diffusive, hydrodynamic, and ballistic regimes, and displays its robustness and precision even with discontinuous initial conditions.

Adaptive unified gas-kinetic scheme for diatomic gases with rotational and vibrational nonequilibrium

Multiscale nonequilibrium physics at large variations of local Knudsen number are encountered in applications of aerospace engineering and micro-electro-mechanical systems, such as high-speed flying vehicles and low pressure of the encapsulation. An accurate description of flow physics in all flow regimes within a single computation requires a genuinely multiscale method. The adaptive unified gas-kinetic scheme (AUGKS) is developed for such multiscale flow simulation. The AUGKS applies discretized velocity space to accurately capture the non-equilibrium physics in the multiscale UGKS, and adaptively employs continuous distribution functions following Chapman–Enskog expansion to efficiently recover near-equilibrium flow region in GKS. The UGKS and GKS are dynamically connected at the cell interface through the fluxes from the discretized and continuous gas distribution functions, which avoids any buffer zone between them. In this study, the AUGKS with rotation and vibration non-equilibrium is developed based on a multiple temperature relaxation model. The real gas effect in different flow regimes has been properly captured. To capture aerodynamic heating accurately, the heat flux modifications from the rotation and vibration modes are also included in the current scheme. Unstructured discrete particle velocity space is adopted to further improve the computational performance of the AUGKS. Numerical tests, including Sod tube, normal shock structure, high-speed flow around the two-dimensional cylinder and three-dimensional sphere and space vehicles, and an unsteady nozzle plume flow from the continuum flow to the background vacuum, have been conducted to validate the current scheme. In comparison with the original UGKS, the current scheme speeds up the computation, reduces the memory requirement, and maintains the equivalent accuracy for multiscale flow simulation, which provides an effective tool for nonequilibrium flow simulations, especially for the flows at low and medium speed.

Lattice Boltzmann Method without Invoking the M << 1 Assumption

When a Maxwellian distribution is assumed for the distribution function in the BGK-type modelled BE, it will give rise to the Euler equations if it is the first-order approximation in the Chapman-Enskog method. Then the second-order equations will yield the N-S equations. Most LBM developed to date are formulated based on the second-order equations. Consequently, the assumption of a flow Mach number M << 1 is inherent in this formulation. This approach creates an unnecessary restriction on the LBM that should be avoided if possible. An alternative approach is to formulate a new LBM by considering an equilibrium distribution function where the first-order approximations give rise to the N-S equations. Adopting this approach, a new LBM has been formulated. This new LBM gives reliable results when applied to simulate aeroacoustics, incompressible flows, and compressible flows with and without shocks. Good agreement with measurements and numerical data derived from DAS/DNA calculations is obtained.

Lifting relations for a generalized total-energy double-distribution-function kinetic model and their impact on compressible turbulence simulation

Recently, Qi et al. (2022) and Guo et al. (2023) proposed two alternative designs of an efficient mesoscopic method using the total-energy double-distribution-function (DDF) formulation, hereafter referred to as the Qi model and the Guo model. The two models share the same advantage of using only 40 discrete particle velocities to fully reproduce the Navier–Stokes-Fourier (NSF) system. However, the Guo model is based on a more rigorous kinetic consideration, while the Qi model relies on a more general design of the source term to allow for adjustable bulk-to-shear viscosity ratio. In this paper, we derive lifting relations for the Qi model based on two alternative approaches, namely, the Hermite expansion and the Chapman–Enskog expansion, which can be used to construct the boundary and initial conditions for the mesoscopic method. For three-dimensional compressible turbulence simulations, including compressible decaying homogeneous isotropic turbulence and Taylor–Green vortex flows, the derived two sets of lifting relations are applied to the initialization distribution function to study their impacts. Interestingly, for the Qi model, the two sets of lifting relations yield the same results without numerical artifacts, whereas for the Guo model, an appropriate lifting relation must be specified to avoid numerical artifacts resulting from the flow initialization (Qi et al., 2023).

Discrete-Ordinate-Lattice-Boltzmann Method for analyzing radiative heat transfer: Application to two-dimensional irregular enclosure

A new Discrete Ordinate-Lattice Boltzmann Method (DO-LBM) is developed by combining DOM and LBM to analyze radiative heat transfer in a two-dimensional irregular enclosure including absorbing, emitting, and scattering media. The accuracy of the proposed method was verified through Chapman-Enskog multi-scale expansion, and non-negativity analysis of the equilibrium distribution function was performed by introducing similarity numbers. Two-dimensional irregular enclosure including curved boundaries and obstacles were considered, and thn numerical results were compared with those obtained by other methods on standard problems. As a result, it was confirmed that the DO-LBM provides a valuable results in simulating radiative heat transfer in a complex boundary structure, which is simple, accurate and can reduce the computational cost compared to other methods.

On Lattice Boltzmann Methods based on vector-kinetic models for hyperbolic partial differential equations

In this paper, we are concerned about the lattice Boltzmann methods (LBMs) based on vector-kinetic models for hyperbolic partial differential equations. In addition to usual lattice Boltzmann equation (LBE) derived by explicit discretisation of vector-kinetic equation (VKE), we also consider LBE derived by semi-implicit discretisation of VKE and compare the relaxation factors of both. We study the properties such as H-inequality, total variation boundedness and positivity of both the LBEs, and infer that the LBE due to semi-implicit discretisation naturally satisfies all the properties while the LBE due to explicit discretisation requires more restrictive condition on relaxation factor compared to the usual condition obtained from Chapman-Enskog expansion. We also derive the macroscopic finite difference form of the LBEs, and utilise it to establish the consistency of LBEs with the hyperbolic system. Further, we extend this LBM framework to hyperbolic conservation laws with source terms, such that there is no spurious numerical convection due to imbalance between convection and source terms. We also present a D2Q9 model that allows upwinding even along diagonal directions in addition to the usual upwinding along coordinate directions. The different aspects of the results are validated numerically on standard benchmark problems.

Derivation and analysis of lattice Boltzmann form of the mild slope equation

The present study investigates the performance of the Lattice Boltzmann Method (LBM) as an alternative numerical method for simulating wave propagation in coastal zones. While formulations like the Mild-Slope Equation (MSE) remain efficient for coastal engineering applications due to their simplicity, LBM offers an explicit numerical solver for partial differential equations (PDEs). LBM utilizes local operations, making it well-suited for Graphics Processing Unit (GPU) acceleration and consequently efficient simulations. This study examines LBM's performance in several benchmark cases, including wave propagation behind a single breakwater, harbor resonance, refraction of long waves over a parabolic shoal, and wave propagation over an elliptic shoal. The Chapman-Enskog multi-scale expansion was used within a popular 2D LBM scheme to derive the relaxation time and equilibrium distribution function. The results showed a good agreement between LBM predictions and benchmark data. Furthermore, LBM demonstrated efficiency in reducing the computation time, achieving a notable 30–50% decrease in CPU time and an 85% reduction when utilizing a GPU.

Double distribution function-based lattice Boltzmann flux solver for simulation of compressible viscous flows

In this work, a double distribution function-based lattice Boltzmann flux solver (LBFS) is proposed for simulating compressible viscous flows. This approach utilizes the double distribution function compressible lattice Boltzmann model and employs Chapman–Enskog expansion analysis to connect the lattice Boltzmann equation (LBE) with the Navier–Stokes (N–S) equations. Unlike conventional computational fluid dynamics methods that compute inviscid and viscous fluxes separately, the present method simultaneously evaluates both types of fluxes at the cell interface by locally reconstructing the solution of the LBE. Recognizing the significance of considering the non-equilibrium part of distribution functions for viscous flows, a straightforward method is introduced to calculate this component. This facilitates the derivation of computational expressions for macroscopic conservative variables and fluxes in the N–S equations. To validate the accuracy and stability of the present numerical scheme, various benchmark problems, including shock tube problem, Couette flow, lid-driven cavity flow, and flow around the NACA0012 airfoil, are tested. The obtained numerical results are compared with analytical solutions or existing reference data, confirming the capability of the proposed LBFS to deliver accurate and stable numerical results for compressible flows. Moreover, this method demonstrates effectiveness in handling viscous flow problems on non-uniform grids and with curved boundaries.

Dissipation in hydrodynamics from micro- to macroscale: wisdom from Boltzmann and stochastic thermodynamics

We show that macroscopic irreversible thermodynamics for viscous fluids can be derived from exact information-theoretic thermodynamic identities valid at the microscale. Entropy production, in particular, is a measure of the loss of many-particle correlations in the same way in which it measures the loss of system-reservoirs correlations in stochastic thermodynamics (ST). More specifically, we first show that boundary conditions at the macroscopic level define a natural decomposition of the entropy production rate (EPR) in terms of thermodynamic forces multiplying their conjugate currents, as well as a change in suitable nonequilibrium potential that acts as a Lyapunov function in the absence of forces. Moving to the microscale, we identify the exact identities at the origin of these dissipative contributions for isolated Hamiltonian systems. We then show that the molecular chaos hypothesis, which gives rise to the Boltzmann equation at the mesoscale, leads to a positive rate of loss of many-particle correlations, which we identify with the Boltzmann EPR. By generalizing the Boltzmann equation to account for boundaries with nonuniform temperature and nonzero velocity, and resorting to the Chapman–Enskog expansion, we recover the macroscopic theory we started from. Finally, using a linearized Boltzmann equation we derive ST for dilute particles in a weakly out-of-equilibrium fluid and its corresponding macroscopic thermodynamics. Our work unambiguously demonstrates the information-theoretical origin of thermodynamic notions of entropy and dissipation in macroscale irreversible thermodynamics.

Ten-moment fluid model with heat flux closure for gasdynamic flows

The gasdynamic 10-moment equations are revisited, applying a Chapman-Enskog type expansion to achieve the closure for heat flux. The resulting gradient-based closure performs favorably against previously employed closures in regions of shocks when compared to the kinetic results obtained from Direct Simulation Monte Carlo simulations. The 10-moment model can capture finite kinetic effects due to non-Maxwellian velocity distribution functions, as compared to the 5-moment Navier-Stokes equations, and remains hyperbolic-parabolic with real wave speeds under all initial conditions. Self-consistent kinetic boundary conditions are derived without consideration of a distinct Knudsen layer. The model is applied to a number of canonical gasdynamics problems in one and two dimensions such as steady normal and oblique shocks, as well as the Sod shock tube problem.

Numerical Simulation for Solitary Waves of the Generalized Zakharov Equation Based on the Lattice Boltzmann Method

The generalized Zakharov equation is a widely used and crucial model in plasma physics, which helps to understand wave particle interactions and nonlinear wave propagation in plasma. The solitary wave solution of this equation provides insights into phenomena such as electron and ion acoustic waves, as well as magnetic field disturbances in plasma. The numerical simulation of solitary wave solutions to the generalized Zakharov equation is an interesting problem worth studying. This is crucial for plasma-based technology, as well as for understanding nonlinear wave propagation in plasma physics and other fields. In this study, a numerical investigation of the generalized Zakharov equation using the lattice Boltzmann method has been conducted. The lattice Boltzmann method is a new modeling and simulating method at the mesoscale. A lattice Boltzmann model was constructed by performing Taylor expansion, Chapman–Enskog expansion, and time multiscale expansion on the lattice Boltzmann equation. By defining the moments of the equilibrium distribution function appropriately, the macroscopic equation can be restored. Furthermore, the numerical experiments for the equation are carried out with the parameter lattice size m=100, time step Δt=0.001, and space step size Δx=0.4. The solitary wave solution of the equation is numerically simulated. Numerical results under different parameter values are compared, and the convergence and effectiveness of the model are numerically verified. It is obtained that the model is convergent in time and space, and the convergence orders are all 2.24881. The effectiveness of our model was also verified by comparing the numerical results of different numerical methods. The lattice Boltzmann method demonstrates advantages in both accuracy and CPU time. The results indicate that the lattice Boltzmann method is a good tool for computing the generalized Zakharov equation.

Applications of the kinetic theory for a model of a confined quasi-two dimensional granular mixture: Stability analysis and thermal diffusion segregation

The Boltzmann kinetic theory for a model of a confined quasi-two dimensional granular mixture derived previously [Garzó et al., “Navier–Stokes transport coefficients for a model of a confined quasi-two dimensional granular binary mixture,” Phys. Fluids 33, 023310 (2021)] is considered further to analyze two different problems. First, a linear stability analysis of the hydrodynamic equations with respect to the homogeneous steady state (HSS) is carried out to identify the conditions for stability as functions of the wave vector, the coefficients of restitution, and the parameters of the mixture. The analysis, which is based on the results obtained by solving the Boltzmann equation by means of the Chapman–Enskog method to first order in spatial gradients, takes into account the (nonlinear) dependence of the transport coefficients and the cooling rate on the coefficients of restitution and applies in principle to arbitrary values of the concentration, and the mass and diameter ratios. In contrast to the results obtained in the conventional inelastic hard sphere (IHS) model, the results show that all the hydrodynamic modes are stable so that the HSS is linearly stable with respect to long enough wavelength excitations. On the other hand, this conclusion agrees with previous stability analysis performed in earlier studies for monocomponent granular gases. As a second application, segregation induced by both a thermal gradient and gravity is studied. A segregation criterion based on the dependence of the thermal diffusion factor Λ on the parameter space of the mixture is derived. In the absence of gravity, the results indicate that Λ is always positive, and hence, the larger particles tend to accumulate near the cold plate. However, when gravity is present, our results show the transition between Λ>0 (larger particles tend to move toward the cold plate) to Λ<0 (larger particles tend to move toward the hot plate) by varying the parameters of the system (masses, sizes, composition, and coefficients of restitution). Comparison with previous results derived from the IHS model is carried out.

Transport Coefficients for the Simple Reacting Spheres Kinetic Model II: Thermal Conductivity, Diffusion, Thermal-Diffusion Ratio

We investigate the transport coefficients for a dilute reactive mixture of four constituents undergoing a chemical reaction of type A+B⇌C+D\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$A+B \\rightleftharpoons C+ D$$\\end{document}, which is described by the Simple Reacting Spheres (SRS) kinetic model. The dynamics of the SRS model is very interesting and relatively simple. Both reactive and inert collisions obey to the hard spheres potential and the collisional operator incorporates a “correction” term that singles out those pre-collisional pairs of particles having enough energy to react chemically. Starting from this setting, we consider the mixture in a chemical regime for which both elastic and reactive collisions occur with comparable characteristic times and use the Chapman–Enskog method to determine the first-order approximation of the non-equilibrium solution to the SRS system. In a preceding paper (part I), the focus was on the coefficients associated to reaction rate and shear viscosity and in the present work we are interested on the coefficients associated to thermal conductivity, diffusion, and thermal-diffusion ratio. These coefficients are analysed numerically for both exothermic and endothermic reactions. The analysis allows to investigate the influence of the chemical reaction and the impact of the “correction” term proper of the SRS model on the transport coefficients.

Mobility and diffusion of intruders in granular suspensions: Einstein relation

The Enskog kinetic equation is considered to determine the diffusion D and mobility λ transport coefficients of intruders immersed in a granular gas of inelastic hard spheres (grains). Intruders and grains are in contact with a thermal bath, which plays the role of a background gas. As usual, the influence of the latter on the dynamics of intruders and grains is accounted for via a viscous drag force plus a stochastic Langevin-like term proportional to the background temperature T b. In this case, the starting kinetic equations are the Enskog and Enskog–Lorentz equations for grains and intruders, respectively, with the addition of Fokker–Planck terms to each one of the above equations. The transport coefficients λ and D are determined by solving the Enskog–Lorentz kinetic equation by means of the Chapman–Enskog method adapted to inelastic collisions. As for elastic collisions, both transport coefficients are given in terms of the solutions of two integral equations, which are approximately solved up to the second order in a Sonine polynomial expansion. Theoretical results are compared against numerical solutions of the inelastic Enskog equation by means of the direct simulation Monte Carlo method. In general, good agreement between theory and simulations is found, especially in the case of the second Sonine approximation. Knowledge of the coefficients λ and D allows us to assess the departure of the (conventional) Einstein relation ϵ=D/(Tbλ) from 1. As expected from previous results for driven granular gases, it is shown that when the bath temperature T b is replaced by the intruder temperature T 0 in the Einstein relation, the origin of the deviation of ε from 1 is only due to the non-Maxwellian behavior of the reference state of intruders (measured by the cumulant c 0). Since the magnitude of c 0 is in general very small, deviations of the (modified) Einstein relation ϵ0=D/(T0λ) from 1 cannot be detected in computer simulations of dilute granular gases. This conclusion agrees well with previous computer simulation results.

Relativistic Heat Conduction in the Large-Flux Regime.

We propose a general procedure for evaluating, directly from microphysics, the constitutive relations of heat-conducting fluids in regimes of large fluxes of heat. Our choice of hydrodynamic formalism is Carter's two-fluid theory, which happens to coincide with Öttinger's GENERIC theory for relativistic heat conduction. This is a natural framework, as it should correctly describe the relativistic "inertia of heat" as well as the subtle interplay between reversible and irreversible couplings. We provide two concrete applications of our procedure, where the constitutive relations are evaluated, respectively, from maximum entropy hydrodynamics and Chapman-Enskog theory.

Hydrodynamics of polydisperse gas-solid flows: Kinetic theory and multifluid simulation

Polydisperse gas-solid flows, which is notoriously difficult to model due to the complex gas-particle and particle-particle interactions, are widely encountered in industry. In this article, a refined kinetic theory for polydisperse flow is developed, which features single-parameter Chapman-Enskog expansion (the Knudsen number) and exact calculation of the integrations related to pair distribution function of particle velocity without any mathematical approximations. The Navier-Stokes order constitutive relations for multifluid modeling of polydisperse gas-solid flow are then obtained analytically, including the solid stress tensor, the solid-solid drag force, the granular heat flux and the energy dissipation rate. Finally, the model is preliminarily validated by comparing to the discrete element simulation data of one-dimensional granular shear flow and by showing that the hydrodynamic characteristics of gas-solid flows in a bubbling fluidized bed containing bidisperse particles can be successfully predicted.

On two possible ways to recover ordinary thermodynamics from extended thermodynamics of polyatomic gases

We consider two possible ways, i.e. the Maxwellian iteration (MI) and the Chapman–Enskog method (CEM), to recover relativistic ordinary thermodynamics from relativistic extended thermodynamics of Polyatomic gases with N moments. Both of these methods give the Eckart equations which are the relativistic version of the Navier–Stokes and Fourier laws as a first iteration. However, these methods do not lead to the same expressions of the heat conductivity χ, the shear viscosity µ, and the bulk viscosity ν which appear as coefficients in the Eckart equations. In particular, we prove that the expressions of χ, µ, and ν obtained via the CEM do not depend on N, while those obtained through the MI depend on N. Moreover, we also prove that these two methods lead to the same results in the nonrelativistic limit.