含振动能激发Boltzmann模型方程气体动理论统一算法验证与分析

为模拟研究高温高马赫数下多原子气体内能激发对跨流域非平衡流动的影响,将转动能、振动能分别作为气体分子速度分布函数的自变量,把转动能和振动能处理为连续分布的能量模式,将Boltzmann方程的碰撞项分解成弹性碰撞项和非弹性碰撞项,同时将非弹性碰撞按一定松弛速率分解为平动-转动能松弛过程和平动-转动-振动能松弛过程,构造了一类考虑振动能激发的Boltzmann模型方程,并证明了其守恒性和H定理.基于内部能量变量对分布函数无穷积分,引入三个约化速度分布函数,得到一组考虑振动能激发的约化速度分布函数控制方程组,使用离散速度坐标法,基于LU-SGS隐式格式和有限体积法求解离散速度分布函数,建立含振动能激发的气体动理论统一算法.通过开展高稀薄流到连续流圆柱绕流问题统一算法与直接模拟蒙特卡罗法模拟结果对比分析,特别是过渡流区平动、转动、振动非平衡效应对绕流流场与物面力热特性的影响机制,证实了所建立的含振动能激发的Boltzmann模型方程及气体动理论统一算法的准确可靠性.     

Convergence of a Distributional Monte Carlo Method for the Boltzmann Equation

Direct Simulation Monte Carlo (DSMC) methods for the Boltzmann equation employ a point measure approximation to the distribution function, as simulated particles may possess only a single velocity. This representation limits the method to converge only weakly to the solution of the Boltzmann equation. Utilizing kernel density estimation we have developed a stochastic Boltzmann solver which possesses strong convergence for bounded and $L^\infty$ solutions of the Boltzmann equation. This is facilitated by distributing the velocity of each simulated particle instead of using the point measure approximation inherent to DSMC. We propose that the development of a distributional method which incorporates distributed velocities in collision selection and modeling should improve convergence and potentially result in a substantial reduction of the variance in comparison to DSMC methods. Toward this end, we also report initial findings of modeling collisions distributionally using the Bhatnagar-Gross-Krook collision operator.     

A hybrid method for hydrodynamic-kinetic flow – Part II – Coupling of hydrodynamic and kinetic models

In this work we present a non stationary domain decomposition algorithm for multiscale hydrodynamic-kinetic problems, in which the Knudsen number may span from equilibrium to highly rarefied regimes. Our approach is characterized by using the full Boltzmann equation for the kinetic regime, the Compressible Euler equations for equilibrium, with a buffer zone in which the BGK-ES equation is used to represent the transition between fully kinetic to equilibrium flows.In this fashion, the Boltzmann solver is used only when the collision integral is non-stiff, and the mean free path is of the same order as the mesh size needed to capture variations in macroscopic quantities. Thus, in principle, the same mesh size and time steps can be used in the whole computation. Moreover, the time step is limited only by convective terms.Since the Boltzmann solver is applied only in wholly kinetic regimes, we use the reduced noise DSMC scheme we have proposed in Part I of the present work. This ensures a smooth exchange of information across the different domains, with a natural way to construct interface numerical fluxes. Several tests comparing our hybrid scheme with full Boltzmann DSMC computations show the good agreement between the two solutions, on a wide range of Knudsen numbers.     

Solving the Boltzmann equation in a 2-D-configuration and2-D-velocity space for capacitively coupled RF discharges

A new kinetic scheme, the generalized Monte Carlo flux (GMCF) method, provides the electron particle distribution function in phase space, f(ν, μ, r, z, t) (ν: speed, μ: velocity angle, r: radial position, z: axial position, and t: time), for solving the Boltzmann equation in modeling capacitively coupled RP discharges. For a simulation with spatial- and temporal-varying fields in RF discharges, the GMCF method handles the collision terms of the Boltzmann equation by using one transition matrix to compute the collision transition between velocity space cells. An anti-diffusion flux transport scheme is developed to overcome the numerical diffusion in the velocity and configuration spaces. The major advantages of the GMCF method are the increase in resolution in the tail of distribution functions and the decrease of computation time. The GMCF calculation results in terms of microscopic electron distribution function and macroscopic quantities of density, electric field and ionization rate, are presented for RF discharges and compared with other kinetic and fluid simulation and experimental results. The effects of the induced radial electric field in the sheath close to the radial wall in a cylindrically symmetric parallel-plate geometry are discussed     

Study on the unified algorithm for three-dimensional complex problems covering various flow regimes using Boltzmann model equation

The Boltzmann simplified velocity distribution function equation describing the gas transfer phenomena from various flow regimes will be explored and solved numerically in this study. The discrete velocity ordinate method of the gas kinetic theory is studied and applied to simulate the complex multi-scale flows. Based on the uncoupling technique on molecular movement and colliding in the DSMC method, the gas-kinetic finite difference scheme is constructed to directly solve the discrete velocity distribution functions by extending and applying the unsteady time-splitting method from computational fluid dynamics. The Gauss-type discrete velocity numerical quadrature technique for different Mach number flows is developed to evaluate the macroscopic flow parameters in the physical space. As a result, the gas-kinetic numerical algorithm is established to study the three-dimensional complex flows from rarefied transition to continuum regimes. The parallel strategy adapted to the gas-kinetic numerical algorithm is investigated by analyzing the inner parallel degree of the algorithm, and then the HPF parallel processing program is developed. To test the reliability of the present gas-kinetic numerical method, the three-dimensional complex flows around sphere and spacecraft shape with various Knudsen numbers are simulated by HPF parallel computing. The computational results are found in high resolution of the flow fields and good agreement with the theoretical and experimental data. The computing practice has confirmed that the present gas-kinetic algorithm probably provides a promising approach to resolve the hypersonic aerothermodynamic problems with the complete spectrum of flow regimes from the gas-kinetic point of view of solving the Boltzmann model equation. Supported by the National Natural Science Foundation of China (Grant Nos. 90205009 and 10321002) and the National Parallel Computing Center     

跨流域高超声速绕流环境Boltzmann模型方程统一算法研究

如何准确可靠地模拟从外层空间高稀薄流到近地面连续流的航天器高超声速绕流环境与复杂流动变化机理是流体物理的前沿基础科学问题. 基于对Boltzmann方程碰撞积分的物理分析与可计算建模, 确立了可描述自由分子流到连续流区各流域不同马赫数复杂流动输运现象统一的Boltzmann模型速度分布函数方程, 发展了适于高、低不同马赫数绕流问题的离散速度坐标法和直接求解分子速度分布函数演化更新的气体动理论数值格式, 建立了模拟复杂飞行器跨流域高超声速飞行热环境绕流问题的气体动理论统一算法. 对稀薄流到连续流不同Knudsen数0.002 ≤Kn_∞ ≤1.618、不同马赫数下可重复使用卫星体再入过程(110–70 km)中高超声速绕流问题进行算法验证分析, 计算结果与典型文献的Monte Carlo直接模拟值及相关理论分析符合得较好. 研究揭示了飞行器跨流域不同高度高超声速复杂流动机理、绕流现象与气动力/热变化规律, 提出了一个通过数值求解介观Boltzmann模型方程, 可靠模拟高稀薄自由分子流到连续流跨流域高超声速气动力/热绕流特性统一算法.     

Nonlinear moment method for the isotropic Boltzmann equation and invariance of the collision integral

A new approach is proposed for the development of a nonlinear moment method of solving the Boltzmann equation. This approach is based on the principle of invariance of the collision integral with respect to the choice of basis functions. Sonine polynomials with a Maxwellian weighting function are taken as these basis functions for the velocity-isotropic Boltzmann equation. It is shown that for arbitrary interaction cross sections the matrix elements corresponding to the moments of the nonlinear collision integral are not independent but are coupled by simple recurrence formulas by means of which all the nonlinear matrix elements are expressed in terms of linear ones. As a result, a highly efficient numerical scheme is constructed for calculating the nonlinear matrix elements. The proposed approach opens up prospects for calculating relaxation processes at high velocities and also for solving more complex kinetic problems. Zh. Tekh. Fiz. 69, 22–29 (June 1999)     

Inelastic collisional effect on a dilute granular shock layer with a heated wall

The inelastic collisional effect on a shock layer of a dilute granular gas with a heated wall is numerically studied. To investigate the inelastic collisional effect via the gain term in the inelastic Boltzmann equation on the shock layer, an inelastic Bhatnagar-Gross-Krook (BGK) type equation, whose loss term is equivalent to that in the inelastic Boltzmann equation, is formulated on the basis of the kinetic theory of the granular gas. The inelastic BGK-type equation formulated for a hard-sphere particle is generalized to that for an inverse power law (IPL) molecule. Numerical results in a weakly inelastic regime confirm the nonequilirium contribution to the cooling rate, when the collision frequency depends on the particle velocity. The profile of the negative high-velocity tail of the distribution function in the generation regime of the shock wave obtained by the Direct Simulation Monte Carlo method is higher than that obtained by the proposed BGK-type equation when the collision frequency depends on the particle velocity because of the inelastic collisional effect via the gain term in the inelastic Boltzmann equation, which is not included in the proposed BGK-type equation.     

The Δ- Method for the Boltzmann Equation

A new numerical method is proposed to solve the Boltzmann equation. A frame is set up by using a discrete velocity approximation in the infinite velocity space, but by considering only those distribution function points which are not too small. The distribution function points may occur anywhere in the infinite discrete velocity space and are not constrained to a pre-specified region. A fourth-order finite difference is used for the convection terms. A Monte Carlo-like method is applied to the discrete velocity model of the collision integral. The effort of the method is proportional to the number of discrete points. Numerical examples are given for the full Boltzmann equation and results for some benchmark problems are compared with analytical or prior solutions.     

Microscopic theory of sound propagation in dielectric crystals

The time evolution of the atomic displacement field in a dielectric crystal subjected to an external force is studied in the domain of linear response by means of imaginary time Green's functions. For slowly varying disturbances two coupled equations have to be solved: a differential equation for the amplitude of an acoustic wave and a linearized Boltzmann equation. The latter results from the integral equation for the vertex part and includes an additional integral operator. The collision equation is solved for different relative magnitudes of the sound frequency and the frequencies for normal and Umklapp processes using the method developed by Weiss. Some of the expressions showing up in the velocity and damping of the sound wave are estimated numerically for rare gases with two-body forces in the form of the Morse potential.     

无粘流中能捕捉较弱的接触间断和激波的反扩散差分格式

在研究弱入射激波遇到对称楔以后的马赫反射现象时,激波管实验不易测出很弱的接触间断,也不易捕捉到马赫反射与正规反射转换的条件。文章一方面研究了可压流体力学欧拉方程的数值方法,首先是用反扩散法改进接触间断的计算;另一方面根据格式粘性的特性和它引出的很微小的熵的变化规律来显示很弱的接触间断和反射激波。这样才易于将对三波点的分析推进一步。文[5,6]曾预言了一种反散波是连续的压缩波的新的激波反射类型。我们设想并根据计算初步确认这新类型反射实际应该是简单马赫反射,反射波虽弱仍是激波。     

A unified gas-kinetic scheme for continuum and rarefied flows

With discretized particle velocity space, a multiscale unified gas-kinetic scheme for entire Knudsen number flows is constructed based on the BGK model. The current scheme couples closely the update of macroscopic conservative variables with the update of microscopic gas distribution function within a time step. In comparison with many existing kinetic schemes for the Boltzmann equation, the current method has no difficulty to get accurate Navier–Stokes (NS) solutions in the continuum flow regime with a time step being much larger than the particle collision time. At the same time, the rarefied flow solution, even in the free molecule limit, can be captured accurately. The unified scheme is an extension of the gas-kinetic BGK-NS scheme from the continuum flow to the rarefied regime with the discretization of particle velocity space. The success of the method is due to the un-splitting treatment of the particle transport and collision in the evaluation of local solution of the gas distribution function. For these methods which use operator splitting technique to solve the transport and collision separately, it is usually required that the time step is less than the particle collision time. This constraint basically makes these methods useless in the continuum flow regime, especially in the high Reynolds number flow simulations. Theoretically, once the physical process of particle transport and collision is modeled statistically by the kinetic Boltzmann equation, the transport and collision become continuous operators in space and time, and their numerical discretization should be done consistently. Due to its multiscale nature of the unified scheme, in the update of macroscopic flow variables, the corresponding heat flux can be modified according to any realistic Prandtl number. Subsequently, this modification effects the equilibrium state in the next time level and the update of microscopic distribution function. Therefore, instead of modifying the collision term of the BGK model, such as ES-BGK and BGK–Shakhov, the unified scheme can achieve the same goal on the numerical level directly. Many numerical tests will be used to validate the unified method.     

离散速度方向模型在微尺度气体流动中的应用

离散速度方向模型是一种简化Boltzmann方程的新方法。该方法通过减少Boltzmann方程的维数来降低数值求解的计算量。在DVD模型中,分子速度的方向是离散的,而分子的速率仍然是连续的,这样就可以用一组三维的速率分布函数来代替Boltzmann方程中六维的速度分布函数。由于减少了三个动量维,同Boltzmann方程相比,DVD模型的数值计算量可以降低几个数量级。本文用数值的方法对DVD模型进行了研究。数值结果显示,在广泛的Knudsen数下,DVD方法可给出精确的计算结果。同线性化Boltzmann方程的计算结果相比,最大的误差不超过6%,在连续介质领域中,误差甚至不超过1%。     

Computer simulation and analysis of the Holweck pump in the transient regime

The results of simulating the Holweck pump by numerically solving the Boltzmann kinetic equation are reported. The nonlinear collision integral is calculated using the conservative projection method. The translation operator is approximated with tetrahedral grids. The ratio of pressures in pumped-in and pumpedout containers is studied as a function of the gas density (rarefaction) and the radius and rotation velocity of the rotor at Knudsen numbers close to unity.     

High-order kinetic flux vector splitting schemes in general coordinates for ideal quantum gas dynamics

A class of high-order kinetic flux vector splitting schemes are presented for solving ideal quantum gas dynamics based on quantum statistical mechanics. The collisionless quantum Boltzmann equation approach is adopted and both Bose–Einstein and Fermi–Dirac gases are considered. The formulas for the split flux vectors are derived based on the general three-dimensional distribution function in velocity space and formulas for lower dimensions can be directly deduced. General curvilinear coordinates are introduced to treat practical problems with general geometry. High-order accurate schemes using weighted essentially non-oscillatory methods are implemented. The resulting high resolution kinetic flux splitting schemes are tested for 1D shock tube flows and shock wave diffraction by a 2D wedge and by a circular cylinder in ideal quantum gases. Excellent results have been obtained for all examples computed.     

Brownian Approximation and Monte Carlo Simulation of the Non-Cutoff Kac Equation

The non-cutoff Boltzmann equation can be simulated using the DSMC method, by a truncation of the collision term. However, even for computing stationary solutions this may be very time consuming, in particular in situations far from equilibrium. By adding an appropriate diffusion, to the DSMC-method, the rate of convergence when the truncation is removed, may be greatly improved. We illustrate the technique on a toy model, the Kac equation, as well as on the full Boltzmann equation in a special case.     

Numerical tests of a new molecule-dependent momentum transport equation

It is shown that a new incompressible fluid equation is obtained by inclusion of a new dimensionless coupling parameter in the momentum transport equation derived in [L. Jirkovsky, L. Bo-ot, Momentum transport equation for the fluids using projection-perturbation formalism and onset of turbulence, Physica A 352 (2005) 241-251] from the Boltzmann kinetic equation where the Boltzmann collision integral includes inelastic interactions of quantum origin among the particles of the fluid. Numerical results from the equation for the plane and circular Poiseuille flows are consistent with the observations. The numerical tests also manifest a difference in the onset of turbulence between the flat plates and the circular pipe flow systems. Although all obtained velocity profiles are flattened at the center-a feature of turbulence-the results demonstrate greater stability of the velocity profiles in the circular pipe flow.     

High-order kinetic flux vector splitting schemes in general coordinates for ideal quantum gas dynamics

A class of high-order kinetic flux vector splitting schemes are presented for solving ideal quantum gas dynamics based on quantum statistical mechanics. The collisionless quantum Boltzmann equation approach is adopted and both Bose–Einstein and Fermi–Dirac gases are considered. The formulas for the split flux vectors are derived based on the general three-dimensional distribution function in velocity space and formulas for lower dimensions can be directly deduced. General curvilinear coordinates are introduced to treat practical problems with general geometry. High-order accurate schemes using weighted essentially non-oscillatory methods are implemented. The resulting high resolution kinetic flux splitting schemes are tested for 1D shock tube flows and shock wave diffraction by a 2D wedge and by a circular cylinder in ideal quantum gases. Excellent results have been obtained for all examples computed.     

Solving the hypersingular boundary integral equation in three-dimensional acoustics using a regularization relationship

Regularization of the hypersingular integral in the normal derivative of the conventional Helmholtz integral equation through a double surface integral method or regularization relationship has been studied. By introducing the new concept of discretized operator matrix, evaluation of the double surface integrals is reduced to calculate the product of two discretized operator matrices. Such a treatment greatly improves the computational efficiency. As the number of frequencies to be computed increases, the computational cost of solving the composite Helmholtz integral equation is comparable to that of solving the conventional Helmholtz integral equation. In this paper, the detailed formulation of the proposed regularization method is presented. The computational efficiency and accuracy of the regularization method are demonstrated for a general class of acoustic radiation and scattering problems. The radiation of a pulsating sphere, an oscillating sphere, and a rigid sphere insonified by a plane acoustic wave are solved using the new method with curvilinear quadrilateral isoparametric elements. It is found that the numerical results rapidly converge to the corresponding analytical solutions as finer meshes are applied.     

An unconditionally stable rotational velocity-correction scheme for incompressible flows

We present an unconditionally stable splitting scheme for incompressible Navier–Stokes equations based on the rotational velocity-correction formulation. The main advantages of the scheme are: (i) it allows the use of time step sizes considerably larger than the widely-used semi-implicit type schemes: the time step size is only constrained by accuracy; (ii) it does not require the velocity and pressure approximation spaces to satisfy the usual inf–sup condition: in particular, the equal-order finite element/spectral element approximation spaces can be used; (iii) it only requires solving a pressure Poisson equation and a linear convection–diffusion equation at each time step. Numerical tests indicate that the computational cost of the new scheme for each time step, under identical time step sizes, is even less expensive than the semi-implicit scheme with low element orders. Therefore, the total computational cost of the new scheme can be significantly less than the usual semi-implicit scheme.