A novel discretization approach for the Bhatnager-Gross-Krook (BGK) kinetic equation is proposed. An hierarchy of LB models starting from $D1Q3$ model with increasing number of velocities converging to BGK model is derived. The method inherits properties of the Lattice Boltzmann (LB) method like linear streaming step, conservation of moments. Similar to the finite-difference methods for the BGK model the presented approach describes high-order moments of the distribution function with controllable error. The Sod shock tube problem, the Poiseuille flow between parallel plates and the plane Couette flow are considered for wide range of Knudsen numbers. Good stability and significant increase in precision over the conventional LB models are observed.
In this paper, we employ the lattice Boltzmann method to solve the Boltzmann equation with the Shakhov model for the collision integral in the context of the 3D planar Couette flow. The half-range Gauss-Hermite quadrature is used to account for the wall-induced discontinuity in the distribution function. The lattice Boltzmann simulation results are compared with direct simulation Monte Carlo (DSMC) results for ${}^3{\rm He}$ and ${}^4{\rm He}$ atoms interacting via ab initio potentials, at various values of the rarefaction parameter $δ$, where the temperature of the plates varies from $1\ {\rm…
A novel hybrid computational method based on the discrete-velocity (DV) approximation, including the lattice-Boltzmann (LB) technique, is proposed. Numerical schemes for the kinetic equations are used in regions of rarefied flows, and LB schemes are employed in continuum flow zones. The schemes are written under the finite-volume (FV) formulation to achieve the flexibility of local mesh refinement. The truncated Hermite polynomial expansion is used for matching of DV and LB solutions. Special attention is paid to preserving conservation properties in the coupling algorithm. The test results ob…
A kinetic model called the $ν$-model is proposed to replace the complicated Boltzmann collision operator in the simulation of rarefied flows of monatomic gas. The model follows the relaxation-time approximation, but the collision frequency (i.e, inverse relaxation time) is a function of the molecular velocity to reflect part of the collision details of the Boltzmann equation, and the target velocity distribution function (VDF) to which the VDF relaxes is close to that used in the Shakhov model. Based on the numerical simulation of strong non-equilibrium shock waves, a half-theoretical and half…
In this study, we employ physics-informed neural networks (PINNs) to solve forward and inverse problems via the Boltzmann-BGK formulation (PINN-BGK), enabling PINNs to model flows in both the continuum and rarefied regimes. In particular, the PINN-BGK is composed of three sub-networks, i.e., the first for approximating the equilibrium distribution function, the second for approximating the non-equilibrium distribution function, and the third one for encoding the Boltzmann-BGK equation as well as the corresponding boundary/initial conditions. By minimizing the residuals of the governing equatio…
Efficient modeling of rarefied flow has drawn widespread interest for practical engineering applications. In the present work, we proposed the Grad's distribution function for 13 moments-based moment gas kinetic solver (G13-MGKS) and the macroscopic governing equations are derived based on the moment integral of discrete Boltzmann equation in the finite volume framework. Numerical fluxes at the cell interface related to the macroscopic variables, stress and heat flux can be reconstructed from the Boltzmann integration equation at surrounding points of the cell interface directly, so the compli…
A high-performance gas kinetic solver using multi-level parallelization is developed to enable pore-scale simulations of rarefied flows in porous media. The Boltzmann model equation is solved by the discrete velocity method with an iterative scheme. The multi-level MPI/OpenMP parallelization is implemented with the aim to efficiently utilise the computational resources to allow direct simulation of rarefied gas flows in porous media based on digital rock images for the first time. The multi-level parallel approach is analyzed in details confirming its better performance than the commonly-used …
A rigorous asymptotic analysis of the Boltzmann equation for small Knudsen numbers leads, in the general case, to more complicated sets of differential equations than widely used to describe the behavior of gas in terms of classical fluid dynamics. The present paper deals with such one that is valid for significant temperature variations and finite Reynolds numbers at the same time (slow nonisothermal flow equations). A finite-volume solver developed on the open-source CFD platform OpenFOAM is proposed for computer simulation of a slightly rarefied gas in an arbitrary geometry. Typical tempera…
We introduce a numerical solver for the spatially inhomogeneous Boltzmann equation using the Burnett spectral method. The modelling and discretization of the collision operator are based on the previous work [Z. Cai, Y. Fan, and Y. Wang, Burnett spectral method for the spatially homogeneous Boltzmann equation, arXiv:1810.07804], which is the hybridization of the BGK operator for higher moments and the quadratic collision operator for lower moments. To ensure the preservation of the equilibrium state, we introduce an additional term to the discrete collision operator, which equals zero when the…
Slow flows of a slightly rarefied gas under high thermal stresses are considered. The correct fluid-dynamic description of this class of flows is based on the Kogan--Galkin--Friedlander equations, containing some non-Navier--Stokes terms in the momentum equation. Appropriate boundary conditions are determined from the asymptotic analysis of the Knudsen layer on the basis of the Boltzmann equation. Boundary conditions up to the second order of the Knudsen number are studied. Some two-dimensional examples are examined for their comparative analysis. The fluid-dynamic results are supported by num…
An implicit high-order discontinuous Galerkin (DG) method is developed to find steady-state solution of rarefied gas flow described by the Boltzmann equation with full collision operator. In the physical space, velocity distribution function is approximated by the piecewise polynomials of degree up to 4, while in the velocity space the fast spectral method is incorporated into the DG to evaluate the collision operator. A specific polynomial approximation for the collision operator is proposed to reduce the computational complexity of the fast spectral method by $K$ times, where for two-dimensi…
The non-equilibrium gas dynamics is described by the Boltzmann equation, which can be solved numerically through the deterministic and stochastic methods. Due to the complicated collision term of the Boltzmann equation, many kinetic relaxation models have been proposed and used in the past seventy years for the study of rarefied flow. In order to develop a multiscale method for the rarefied and continuum flow simulation, by adopting the integral solution of the kinetic model equation a DVM-type unified gas-kinetic scheme (UGKS) has been constructed. The UGKS models the gas dynamics on the cell…
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…
In this study, a phase-field lattice Boltzmann model based on the Allen-Cahn equation with a filtered collision operator and high-order corrections in the equilibrium distribution functions is presented. Here we show that in addition to producing numerical results consistent with prior numerical methods, analytic solutions, and experiments with the density ratio of 1000, previous numerical deficiencies are resolved. Specifically, the new model is characterized by robustness at low viscosity, accurate prediction of shear stress at interfaces, and removal of artificial dense bubbles and rarefied…
Models and methods that are able to accurately and efficiently predict the flows of low-speed rarefied gases are in high demand, due to the increasing ability to manufacture devices at micro and nano scales. One such model and method is a Fokker-Planck approximation to the Boltzmann equation, which can be solved numerically by a stochastic particle method. The stochastic nature of this method leads to noisy estimates of the thermodynamic quantities one wishes to sample when the signal is small in comparison to the thermal velocity of the gas. Recently, Gorji et al have proposed a method which …
In this paper, the original discrete unified gas kinetic scheme (DUGKS) is extended to arbitrary Lagrangian-Eulerian (ALE) framework for simulating the low-speed continuum and rarefied flows with moving boundaries. For ALE method, the mesh moving velocity is introduced into the Boltzmann-BGK equation. The remapping-free scheme is adopted to develop the present ALE-type DUGKS, which avoids the complex rezoning and remapping process in traditional ALE method. As in some application areas, the large discretization errors will be introduced into the simulation if the geometric conservation is not …
We are interested in solving the Boltzmann equation of chemically reacting rarefied gas flows using the Grad's-14 moment method. We first propose a novel mathematical model that describes the collision dynamics of chemically reacting hard spheres. Using the collision model, we present an algorithm to compute the moments of the Boltzmann collision operator. Our algorithm is general in the sense that it can be used to compute arbitrary order moments of the collision operator and not just the moments included in the Grad's-14 moment system. For a first-order chemical kinetics, we derive reaction …
In rarefied gas flows, the spatial grid size could vary by several orders of magnitude in a single flow configuration (e.g., inside the Knudsen layer it is at the order of mean free path of gas molecules, while in the bulk region it is at a much larger hydrodynamic scale). Therefore, efficient implicit numerical method is urgently needed for time-dependent problems. However, the integro-differential nature of gas kinetic equations poses a grand challenge, as the gain part of the collision operator is non-invertible. Hence an iterative solver is required in each time step, which usually takes a…
In this paper, a unified gas kinetic scheme with adaptive velocity space (AUGKS) for multiscale flow transport will be developed. In near-equilibrium flow regions, particle distribution function is close to the Chapman-Enskog expansion and can be formulated with a continuous velocity space, where only macroscopic conservative variables are updated. With the emerging of non-equilibrium effects, the AUGKS automatically switches to a discrete velocity space to follow the evolution of particle distribution function. Based on the Chapman-Enskog expansion, a criterion is proposed in this paper to qu…
When the flow is sufficiently rarefied, a temperature gradient, for example, between two walls separated by a few mean free paths, induces a gas flow---an observation attributed to the thermo-stress convection effects at microscale. The dynamics of the overall thermo-stress convection process is governed by the Boltzmann equation---an integro-differential equation describing the evolution of the molecular distribution function in six-dimensional phase space---which models dilute gas behavior at the molecular level to accurately describe a wide range of flow phenomena. Approaches for solving th…
The general synthetic iteration scheme (GSIS) is extended to find the steady-state solution of nonlinear gas kinetic equation, removing the long-standing problems of slow convergence and requirement of ultra-fine grids in near-continuum flows. The key ingredients of GSIS are that the gas kinetic equation and macroscopic synthetic equations are tightly coupled, and the constitutive relations in macroscopic synthetic equations explicitly contain Newton's law of shear stress and Fourier's law of heat conduction. The higher-order constitutive relations describing rarefaction effects are calculated…
In this paper, we consider the capabilities of the Boltzmann equation with the Shakhov and ellipsoidal models for the collision term to capture the characteristics of rarefied gas flows. The benchmark is performed by comparing the results obtained using these kinetic model equations with direct simulation Monte Carlo (DSMC) results for particles interacting via ab initio potentials. The analysis is restricted to channel flows between parallel plates and we consider three flow problems, namely: the heat transfer between stationary plates, the Couette flow and the heat transfer under shear. The …
The molecular dynamics lattice gas method maps a molecular dynamics simulation onto a lattice gas using a coarse-graining procedure. This is a novel fundamental approach to derive the lattice Boltzmann method by taking a Boltzmann average over the molecular dynamics lattice gas. A key property of the lattice Boltzmann method is the equilibrium distribution function, which was originally derived by assuming that the particle displacements in the molecular dynamics simulation are Boltzmann distributed. However, we recently discovered that a single Gaussian distribution function is not sufficient…
Accelerating Kinetic Fokker-Planck Simulations via a GPU-Native Deep Neural Network Surrogate: Application to Rarefied Internal and Hypersonic External Flows
