For multiscale gas flows, kinetic-continuum hybrid method is usually used to balance the computational accuracy and efficiency. However, the kinetic-continuum coupling is not straightforward since the coupled methods are based on different theoretical frameworks. In particular, it is not easy to recover the non-equilibrium information required by the kinetic method which is lost by the continuum model at the coupling interface. Therefore, we present a multiscale lattice Boltzmann (LB) method which deploys high-order LB models in highly rarefied flow regions and low-order ones in less rarefied regions. Since this multiscale approach is based on the same theoretical framework, the coupling precess becomes simple. The non-equilibrium information will not be lost at the interface as low-order LB models can also retain this information. The simulation results confirm that the present method can achieve model accuracy with reduced computational cost.
Thermodynamic nonequilibrium effects in three-dimensional high-speed compressible flows: Multiscale modeling and simulation via the discrete Boltzmann method
We describe a recent multiscale approach based on the concurrent coupling of constrained molecular dynamics for long biomolecules with a mesoscopic lattice Boltzmann treatment of solvent hydrodynamics. The multiscale approach is based on a simple scheme of exchange of space-time information between the atomistic and mesoscopic scales and is capable of describing self-consistent hydrodynamic effects on molecular motion at a computational cost which scales linearly with both solute size and solvent volume. For an application of our multiscale method, we consider the much studied problem of biopo…
The deformation and dynamics of a single droplet in isotropic turbulence is studied using a Lattice Boltzmann diffuse interface model involving exact boundary flow conditions to allow for the creation of an external turbulent flow. We focus on a small, sub-Kolmogorov droplet, whose scale is much smaller than the Kolmogorov length scale of the turbulent flow. The external flow field is obtained via pseudo-spectral simulation data describing the trajectory of a passive tracer in isotropic turbulence. In this way we combine the microscopic scale of the droplet and the macroscopic scale of the tur…
We present a thorough investigation of the particles on demand kinetic model. After a brief introduction of the method, an appropriate multiscale analysis is carried out to derive the hydrodynamic limit of the model. In this analysis, the effect of the time-space dependent comoving reference frames are taken into account. This could be regarded as a generalization of the conventional Chapman-Enskog analysis applied to the lattice Boltzmann models which feature global constant reference frames. Further simulations of target benchmarks provide numerical evidence confirming the theoretical predic…
A hybrid computational method coupling the lattice-Boltzmann (LB) method and a Langevin-dynamics (LD) method is developed to simulate nanoscale particle and polymer (NPP) suspensions in the presence of both thermal fluctuation and long-range many-body hydrodynamic interactions (HI). Brownian motion of the NPP is explicitly captured by a stochastic forcing term in the LD method. The LD method is two-way coupled to the non-fluctuating LB fluid through a discrete LB forcing source distribution to capture the long-range HI. To ensure intrinsically linear scalability with respect to the number of p…
Collisional effects are included in the path-integral formulation that was proposed in one of our previous paper for the collisionless Boltzmann gas. In calculating the number of molecules entering a six-dimensional phase volume element due to collisions, both the colliding molecules and the scattered molecules are allowed to have distributions; thus the calculation is done smoothly and no singularities arise.
Numerical solution of non-steady problems of supersonic inflow of a binary mixture of a rarefied gas on a normally posed wall with mirror and diffuse reflection laws is obtained on the basis of the kinetic Boltzmann equation for the model of hard sphere molecules. For calculation of collision integrals we apply the projection method, developed by Tcheremissine for a one-component gas and generalized by the author for a binary gas mixture in the case of cylindrical symmetry. We demonstrate a good qualitative agreement of our results with other authors for one-component gases.
We study the structure of a shock wave for a two-, three- and four-component gas mixture on the basis of numerical solution of the Boltzmann equation for the model of hard sphere molecules. For the evaluation of collision integrals we use the Conservative Projection Method developed by F.G. Tscheremissine which we extended to gas mixtures in cylindrical coordinates. The transition from the upstream to downstream uniform state is presented by macroscopic values and distribution functions. The obtained results were compared with numerical and experimental results of other authors.
In the article correct method for the kinetic Boltzmann equation asymptotic solution is formulated, the Hilbert's and Enskog's methods are discussed. The equations system of multicomponent non-equilibrium gas dynamics is derived, that corresponds to the first order in the approximate (asymptotic) method for solution of the system of kinetic Boltzmann equations. It is shown, that the velocity distribution functions of particles, obtained by the proposed method and by Enskog's method, within Enskog's approach, are equivalent up to the infinitesimal first order terms of the asymptotic expansion, …
In this work, we employ a kinetic theory based approach to predict the hydrodynamic forces on electromechanical resonators operating in gaseous media. Using the Boltzmann-BGK equation, we investigate the influence of the resonator geometry on the fluid resistance in the entire range of nondimensional frequency variation $0\leτω\le\infty$; here the fluid relaxation time $τ=μ/p$ is determined by the gas viscosity $μ$ and pressure $p$ at thermodynamic equilibrium, and $ω$ is the (angular) oscillation frequency. Our results support the experimentally observed transition from viscous to viscoelasti…
The system of hydrodynamic-type equations is derived from Alexeev's generalized Boltzmann kinetic equation by two-side distribution function for a stratified gas in gravity field. It is applied to a problem of ultrasound propagation and attenuation. The linearized version of the obtained system is studied and compared with the Navier-Stokes one at arbitrary Knudsen numbers. The problem of a generation by a moving plane in a rarefied gas is explored and used as a test while compared with experiment. It is good agreement between predicted propagation speed, attenuation factor and experimental re…
The recently proposed discrete unified gas kinetic scheme (DUGKS) is a finite volume method for deterministic solution of the Boltzmann model equation with asymptotic preserving property. In DUGKS, the numerical flux of the distribution function is determined from a local numerical solution of the Boltzmann model equation using an unsplitting approach. The time step and mesh resolution are not restricted by the molecular collision time and mean free path. To demonstrate the capacity of DUGKS in practical problems, this paper extends the DUGKS to arbitrary unstructured meshes. Several tests of …
Finite-difference Lattice Boltzmann (LB) models are proposed for simulating gas flows in devices with microscale geometries. The models employ the roots of half-range Gauss-Hermite polynomials as discrete velocities. Unlike the standard LB velocity-space discretizations based on the roots of full-range Hermite polynomials, using the nodes of a quadrature defined in the half-space permits a consistent treatment of kinetic boundary conditions. The possibilities of the proposed LB models are illustrated by studying the one-dimensional Couette flow and the two-dimensional driven cavity flow. Numer…
Rooted from the gas kinetics, the lattice Boltzmann method is a powerful tool in modeling hydrodynamics. In the past decade, it has been extended to simulate the rarefied gas flow beyond the Navier-Stokes level, either by using the high-order Gauss-Hermite quadrature, or by introducing the relaxation time that is a function of the gas-wall distance. While the former method, with a limited number of discrete velocities (i.e. D2Q36), is accurate up to the early transition flow regime, the latter method, with the same discrete velocities as that used in simulating hydrodynamics (i.e. D2Q9), is ac…
We propose a two-population lattice Boltzmann model on standard lattices for the simulation of compressible flows. The model is fully on-lattice and uses the single relaxation time Bhatnagar-Gross-Krook kinetic equations along with appropriate correction terms to recover the Navier-Stokes-Fourier equations. The accuracy and performance of the model are analyzed through simulations of compressible benchmark cases including Sod shock tube, sound generation in shock-vortex interaction and compressible decaying turbulence in a box with eddy shocklets. It is demonstrated that the present model prov…
The lattice Boltzmann method (LBM) has experienced tremendous advances and been well accepted as a popular method of simulation of various fluid flow mechanisms on pore scale in tight formations. With the introduction of an effective relaxation time and slip boundary conditions, the LBM has been successfully extended to solve micro-gaseous related transport and phenomena. As gas flow in shale matrix is mostly in the slip flow and transition flow regimes, given the difficulties of experimental techniques to determine extremely low permeability, it appears that the computational methods especial…
On contrary to the customary thought, the well-known ``lemma'' that the distribution function of a collisionless Boltzmann gas keeps invariant along a molecule's path represents not the strength but the weakness of the standard theory. One of its consequences states that the velocity distribution at any point is a condensed ``image'' of all, complex and even discontinuous, structures of the entire spatial space. Admitting the inability to describe the entire space with a microscopic quantity, this paper introduces a new type of distribution function, called the solid-angle-average distribution…
We discuss hybrid atomistic-continuum methods for multiscale hydrodynamic applications. Both dense fluid and dilute gas formulations are considered. The choice of coupling method and its relation to the fluid physics is discussed. The differences in hybrid methods resulting from underlying compressible and incompressible continuum formulations as well as the importance of timescale decoupling are highlighted. We also discuss recently developed compressible and incompressible hybrid methods for dilute gases. The incompressible framework is based on the Schwarz alternating method whereas the com…
This paper aims at the simulation of multiple scale physics in the system of radiation hydrodynamics. The system couples the fluid dynamic evolution equations with the radiative heat transfer. The coupled system is solved by the gas-kinetic scheme (GKS) for the compressible viscous and heat conducting flow and the unified gas-kinetic scheme (UGKS) for the non-equilibrium radiative transfer, together with the momentum and energy exchange between these two phases. For the radiative transfer, due to the possible large variation of fluid opacity in different regions, the transport of photons in th…
In this paper, authors focus effort on improving the conventional discrete velocity method (DVM) into a multiscale scheme in finite volume framework for gas flow in all flow regimes. Unlike the typical multiscale kinetic methods unified gas-kinetic scheme (UGKS) and discrete unified gas-kinetic scheme (DUGKS), which concentrate on the evolution of the distribution function at the cell interface, in the present scheme the flux for macroscopic variables is split into the equilibrium part and the nonequilibrium part, and the nonequilibrium flux is calculated by integrating the discrete distributi…
One of the central problems in the study of rarefied gas dynamics is to find the steady-state solution of the Boltzmann equation quickly. When the Knudsen number is large, i.e. the system is highly rarefied, the conventional iteration scheme can lead to convergence within a few iterations. However, when the Knudsen number is small, i.e. the flow falls in the near-continuum regime, hundreds of thousands iterations are needed, and yet the "converged" solutions are prone to be contaminated by accumulated error and large numerical dissipation. Recently, based on the gas kinetic models, the implici…
Many catalyst devices employ flow through porous structures, which leads to a complex macroscopic mass and heat transport. To unravel the detailed dynamics of the reactive gas flow, we present an all-encompassing model, consisting of thermal lattice Boltzmann model by Kang et al., used to solve the heat and mass transport in the gas domain, coupled to a finite differences solver for the heat equation in the solid via thermal reactive boundary conditions for a consistent treatment of the reaction enthalpy. The chemical surface reactions are incorporated in a flexible fashion through flux bounda…
The Boltzmann equation becomes invalid as the size of gas molecules is comparable with the average intermolecular distance. A better description is provided by the Enskog collision operator, which takes into account the finite size of gas molecules. This extension implies non-local collisions as well as an increase in collision frequency, making it computationally expensive to solve. An approximation of the Enskog collision operator, denoted the simplified Enskog collision operator, is used in this work to develop a quadrature-based Lattice Boltzmann model for non-ideal monatomic dense gases. …
Gas separation of a binary gaseous mixture is one of characteristic phenomena in the micro-scale flows that differ from the conventional size flows. In this work, the separation in a binary gas mixture flows through a microchannel is investigated by the lattice Boltzmann method with a diffuse-bounce-back (DBB) boundary condition. The separation degree and rate are measured in the He--Ar and Ne--Ar systems for different mole fractions, pressure ratios, and Knudsen numbers. The results show that the separation phenomenon in the He--Ar mixture is more obvious than that in the Ne--Ar mixture at th…
This paper presents a model for the simulation of liquid-gas-solid flows by means of the lattice Boltzmann method. The approach is built upon previous works for the simulation of liquid-solid particle suspensions on the one hand, and on a liquid-gas free surface model on the other. We show how the two approaches can be unified by a novel set of dynamic cell conversion rules. For evaluation, we concentrate on the rotational stability of non-spherical rigid bodies floating on a plane water surface - a classical hydrostatic problem known from naval architecture. We show the consistency of our met…
In this paper, a lattice Boltzmann (LB) model is presented for axisymmetric multiphase flows. Source terms are added to a two-dimensional standard lattice Boltzmann equation (LBE) for multiphase flows such that the emergent dynamics can be transformed into the axisymmetric cylindrical coordinate system. The source terms are temporally and spatially dependent and represent the axisymmetric contribution of the order parameter of fluid phases and inertial, viscous and surface tension forces. A model which is effectively explicit and second order is obtained. This is achieved by taking into accoun…
We analyze the Lattice Boltzmann method for the simulation of fluctuating hydrodynamics by Adhikari et al. [Europhys. Lett. 71, 473 (2005)] and find that it shows excellent agreement with theory even for small wavelengths as long as a stationary system is considered. This is in contrast to other finite difference and older lattice Boltzmann implementations that show convergence only in the limit of large wavelengths. In particular cross correlators vanish to less than 0.5%. For larger mean velocities, however, Galilean invariance violations manifest themselves through errors of a magnitude sim…
In the CLB method, a Bosanquet-type effective viscosity is employed to account for the rarefaction effect on the gas viscosity. To gain accurate simulations and to match the Bosanquet-type effective viscosity, the combined bounce-back/specular-reflection boundary scheme with a modified second-order slip boundary condition is adopted in the CLB method. The present method is applied to study gas flow in a microchannel with periodic boundary condition and gas flow in a long microchannel (the ratio of the length to the height L/H=100) with pressure boundary condition over a wide range of Knudsen n…
In this paper, three-dimensional (3D) multi-relaxation time (MRT) lattice-Boltzmann (LB) models for multiphase flow are presented. In contrast to the Bhatnagar-Gross-Krook (BGK) model, a widely employed kinetic model, in MRT models the rates of relaxation processes owing to collisions of particle populations may be independently adjusted. As a result, the MRT models offer a significant improvement in numerical stability of the LB method for simulating fluids with lower viscosities. We show through the Chapman-Enskog multiscale analysis that the continuum limit behavior of 3D MRT LB models corr…
For a massless gas with constant cross section in a homogeneous, isotropically expanding spacetime we reformulate the relativistic Boltzmann equation as a set of non-linear coupled moment equations. For a particular initial condition this set can be solved exactly, yielding the first analytical solution of the Boltzmann equation for an expanding system. The non-equilibrium behavior of this relativistic gas can be mapped onto that of a homogeneous, static non-relativistic gas of Maxwell molecules.
