In this paper, a multiscale boundary condition for the discrete unified gas kinetic scheme (DUGKS) is developed for gas flows in all flow regimes. Based on the discrete Maxwell boundary condition (DMBC), this study addresses the limitations of the original DMBC used in DUGKS. Specifically, it is found that the DMBC produces spurious velocity slip and temperature jump, which are proportional to the mesh size and the momentum accommodation coefficient. The proposed multiscale DMBC is implemented by ensuring that the reflected original distribution function excludes collision effects. Theoretical analyses and numerous numerical tests show that the multiscale DMBC can achieve exactly the non-slip and non-jump conditions in the continuum limit and accurately captures non-equilibrium phenomena across a wide range of Knudsen numbers. The results demonstrate that the DUGKS with the multiscale DMBC can work properly for wall boundary conditions in all flow regimes with a fixed discretization in both space and time, without limitations on the thickness of the Knudsen layer and relaxation time.
The rarefied effect of gas flow in microchannel is significant and cannot be well described by traditional hydrodynamic models. It has been know that discrete Boltzmann model (DBM) has the potential to investigate flows in a relatively wider range of Knudsen number because of its intrinsic kinetic nature inherited from Boltzmann equation. It is crucial to have a proper kinetic boundary condition for DBM to capture the velocity slip and the flow characteristics in the Knudsen layer. In this paper, we present a DBM combined with Maxwell-type boundary condition model for slip flow. The tangential…
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…
We analyze a large number of high-order discrete velocity models for solving the Boltzmann-BGK equation for finite Knudsen number flows. Using the Chapman-Enskog formalism, we prove for isothermal flows a relation identifying the resolved flow regimes for low Mach numbers. Although high-order lattice Boltzmann models recover flow regimes beyond the Navier-Stokes level we observe for several models significant deviations from reference results. We found this to be caused by their inability to recover the Maxwell boundary condition exactly. By using supplementary conditions for the gas-surface i…
This paper is a continuation of our earlier work [Z.L. Guo {\it et al.}, Phys. Rev. E {\bf 88}, 033305 (2013)] where a multiscale numerical scheme based on kinetic model was developed for low speed isothermal flows with arbitrary Knudsen numbers. In this work, a discrete unified gas-kinetic scheme (DUGKS) for compressible flows with the consideration of heat transfer and shock discontinuity is developed based on the Shakhov model with an adjustable Prandtl number. The method is an explicit finite-volume scheme where the transport and collision processes are coupled in the evaluation of the flu…
The state of a single-species monatomic gas from near-equilibrium to highly nonequilibrium conditions is investigated using analytical and numerical methods. Normal solutions of the Boltzmann equation for Fourier flow (uniform heat flux) and Couette flow (uniform shear stress) are found in terms of the heat-flux and shear-stress Knudsen numbers. Analytical solutions are found for inverse-power-law molecules from hard-sphere through Maxwell at small Knudsen numbers using Chapman-Enskog (CE) theory and for Maxwell molecules at finite Knudsen numbers using a moment-hierarchy (MH) method. Correspo…
With wave-particle decomposition, a unified gas-kinetic wave-particle (UGKWP) method has been developed for the multiscale flow simulations. The UGKWP method captures the transport process in all flow regimes without kinetic solver's constraint on the numerical mesh size and time step being less than the particle mean free path and collision time. In the current UGKWP method, the cell's Knudsen number, defined as the ratio of collision time to numerical time step, is used to distribute the components in the wave-particle decomposition. However, the adaptation of particle in UGKWP is mainly for…
Thermodynamic nonequilibrium effects in three-dimensional high-speed compressible flows: Multiscale modeling and simulation via the discrete Boltzmann method
The force and torque on a Janus sphere moving in a rarefied gas with a thermal gradient are calculated. The regime of large Knudsen number is considered, with the momenta of impinging gas molecules either obtained from a Chapman-Enskog distribution or from a binary Maxwellian distribution between two opposing parallel plates at different temperature. The reflection properties at the surface of the Janus particle are characterized by accommodation coefficients having constant but dissimilar values on each hemisphere. It is shown that the Janus particle preferentially orients such that the hemis…
Recent experiments on coating flows and liquid drop impact both demonstrate that wetting failures caused by air entrainment can be suppressed by reducing the ambient gas pressure. Here, it is shown that non-equilibrium effects in the gas can account for this behaviour, with ambient pressure reductions increasing the gas' mean free path and hence the Knudsen number $Kn$. These effects first manifest themselves through Maxwell slip at the gas' boundaries so that for sufficiently small $Kn$ they can be incorporated into a continuum model for dynamic wetting flows. The resulting mathematical model…
In the current work we construct a multimolecule random process which leads to the Boltzmann equation in the appropriate limit, and which is different from the deterministic real gas dynamics process. We approximate the statistical difference between the two processes via a suitable diffusion process, which is obtained in the multiscale homogenization limit. The resulting Boltzmann equation acquires a new spatially diffusive term, which subsequently manifests in the corresponding fluid dynamics equations. We test the Navier-Stokes and Grad closures of the diffusive fluid dynamics equations in …
A kinetic model is proposed for rarefied flows of molecular gas with rotational and temperature-dependent vibrational degrees of freedom. The model reduces to the Boltzmann equation for monatomic gas when the energy exchange between the translational and internal modes is absent, thus the influence of intermolecular potential can be captured. Moreover, not only the transport coefficients but also their fundamental relaxation processes are recovered. The accuracy of our kinetic model is validated by the direct simulation Monte Carlo method in several rarefied gas flows, including the shock wave…
In this paper, the unified gas-kinetic wave-particle (UGKWP) method has been constructed on three-dimensional unstructured mesh with parallel computing for multiscale flow simulation. Following the direct modeling methodology of the unified gas-kinetic scheme (UGKS), the UGKWP method models the flow dynamics uniformly in different regime and gets the local cell's Knudsen number dependent numerical solution directly without the requirement of kinetic scale cell resolution. The UGKWP method is composed of evolution of deterministic wave and stochastic particles. With the dynamic wave-particle de…
Hypersonic flow around a vehicle in near space flight is associated with multiscale non-equilibrium physics at a large variation of local Knudsen number from the leading edge highly compressible flow to the trailing edge particle free transport. To accurately capture the solution in all flow regimes from the continuum Navier-Stokes solution to the rarefied gas dynamics in a single computation requires genuinely multiscale method. The unified gas-kinetic wave-particle (UGKWP) method targets on the simulation of such a multicale transport. Due to the wave-particle decomposition, the dynamics in …
An implicit scheme for steady state solutions of diatomic gas flow is presented. The method solves the Rykov model equation in the finite volume discrete velocity method (DVM) framework, in which the translational and rotational degrees of freedom are taken into account. At the cell interface, a difference scheme of the model equation is used to construct a multiscale flux (similar to discrete unified gas-kinetic scheme (DUGKS)), so that the cell size is not constrained by the cell Knudsen (Kn) number. The physical local time step is implemented to preserve the multiscale property in the nonun…
Explicit form of simplified Grad's 13 moments distribution function-based moment gas kinetic solver with unstructured meshes for the multiscale rarefied flow
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…
The transverse force exerted on a rotating sphere immersed in an otherwise uniform flow of a rarefied gas is investigated based on the Bhatnagar-Gross-Krook (BGK) model of the Boltzmann equation assuming the Maxwell boundary condition on the sphere. In several existing studies, it has been shown that the transverse force acting on the sphere, also known as the Magnus force, has opposite signs in the free molecular and continuum flows. The present study intends to clarify the force's transition in terms of the Knudsen number (i.e., the reciprocal ratio of the sphere radius to the molecular mean…
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…
A Maxwell gas confined within a micro cavity with non-isothermal walls is investigated in the slip and early transition regimes using the classical and extended continuum theories. The vertical sides of the cavity are kept at the uniform and environmental temperature T_0, while the upper and bottom ones are linearly heated in opposite directions from the cold value T_0 to the hot oneT_H. The gas flow is, therefore, induced only by the temperature gradient created along the longitudinal walls. The problem is treated from a macroscopic point of view by solving numerically the so-called regulariz…
The gas dynamics under external force field is essentially associated with multiple scale nature due to the large variations of density and local Knudsen number. Single scale fluid dynamic equations, such as the Boltzmann and Navier-Stokes equations, are valid in their respective modeling scales, and it is challenging for the modeling and computation of a multiple scale problem across different regimes and capture the corresponding non-equilibrium flow physics. Based on the direct modeling of conservation laws in the discretized space, a well-balanced unified gas-kinetic scheme (UGKS) for mult…
Magnetron sputtering used for physical vapor deposition processes often requires gas pressures well below 1 Pa. Under these conditions the gas flow in the reactor is usually determined by a Knudsen number of about one, i.e., a transition regime between the hydrodynamic and the rarefied gas regime. In the first, the gas flow is well described by the Navier-Stokes equations, while in the second a kinetic approach via the Boltzmann equation is necessary. In this paper the neutral gas flow of argon and molecular nitrogen gas inside an industrial scale plasma reactor was simulated using both a flui…
In this paper, the unified gas-kinetic wave-particle (UGKWP) method is further developed for diatomic gas with the energy exchange between translational and rotational modes for flow study in all regimes. The multiscale transport mechanism in UGKWP is coming from the direct modeling in a discretized space, where the cell's Knudsen number, defined by the ratio of particle mean free path over the numerical cell size, determines the flow physics simulated by the wave particle formulation. The non-equilibrium distribution function in UGKWP is tracked by the discrete particle and analytical wave. T…
Determining physically admissible boundary conditions for higher moments in an extended continuum model is recognised as a major obstacle. Boundary conditions for the regularised 26-moment (R26) equations obtained using Maxwell's accommodation model do exist in the literature; however, we show in this article that these boundary conditions violate the second law of thermodynamics and the Onsager reciprocity relations for certain boundary value problems, and, hence, are not physically admissible. We further prove that the linearised R26 (LR26) equations possess a proper $H$-theorem (second-law …
