基于Boltzmann模型方程的气体运动论统一算法研究

模型方程出发,研究确立含流态控制参数可描述不同流域气体流动特征的气体分子速度分布函数方程; 研究发展气体运动论离散速度坐标法, 借助非定常时间分裂数值计算方法和NND差分格式, 结合DSMC方法关于分子运动与碰撞去耦技术, 发展直接求解速度分布函数的气体运动论耦合迭代数值格式; 研制可用于物理空间各点宏观流动取矩的离散速度数值积分方法, 由此提出一套能有效模拟稀薄流到连续流不同流域气体流动问题统一算法. 通过对不同Knudsen数下一维激波内流动、二维圆柱、三维球体绕流数值计算表明, 计算结果与有关实验数据及其它途径研究结果(如DSMC模拟值、N-S数值解)吻合较好, 证实气体运动论统一算法求解各流域气体流动问题的可行性. 尝试将统一算法进行HPF并行化程序设计, 基于对球体绕流及类``神舟'返回舱外形绕流问题进行HPF初步并行试算, 显示出统一算法具有很好的并行可扩展性, 可望建立起新型的能有效模拟各流域飞行器绕流HPF并行算法研究方向. 通过将气体运动论统一算法推广应用于微槽道流动计算研究, 已初步发展起可靠模拟二维短微槽道流动数值算法; 通过对Couette流、Poiseuille流、压力驱动的二维短槽道流数值模拟, 证实该算法对微槽道气体流动问题具有较强的模拟能力, 可望发展起基于Boltzmann模型方程能可靠模拟MEMS微流动问题气体运动论数值计算方法研究途径.      

Gas-kinetic description of shock wave structures by solving Boltzmann model equation

On the basis of the mesoscopic theory of Boltzmann-type velocity distribution function, the modified Boltzmann model equation describing the one-dimensional gas flows from various flow regimes is presented by incorporating the molecular interaction models relating to the viscosity and diffusion cross-sections, density, temperature and the dependent exponent of viscosity into the molecular collision frequency. The gas-kinetic numerical method for directly solving the molecular velocity distribution function is studied by introducing the reduced distribution functions and the discrete velocity ordinate method, in which the unsteady time-splitting method and the NND finite difference scheme are applied. To study the inner flows of non-equilibrium shock wave structures, the one-dimensional unsteady shock-tube problems with various Knudsen numbers and the steady shock wave problems at different Mach numbers are numerically simulated. The computed results are found to give good agreement with the theoretical, DSMC and experimental results. The computing practice has confirmed the good precision and reliability of the gas-kinetic numerical algorithm in solving the highly nonequilibrium shock wave disturbances from various flow regimes.     

GAS-KINETIC UNIFIED ALGORITHM FOR BOLTZMANN MODEL EQUATION IN ROTATIONAL NONEQUILIBRIUM AND ITS APPLICATION TO THE WHOLE RANGE FLOW REGIMES

基于过去开展稀薄自由分子流到连续流气体运动论统一算法框架,采用转动惯量描述气体分子自旋运动,确立含转动非平衡效应各流域统一玻尔兹曼模型方程.基于转动能量对分布函数守恒积分,得到计及转动非平衡效应气体分子速度分布函数方程组,使用离散速度坐标法对分布函数方程所依赖速度空间离散降维;应用拓展计算流体力学有限差分方法,构造直接求解分子速度分布函数的气体动理论数值格式;基于物面质量流量通量守恒与能量平衡关系,发展计及转动非平衡气体动理论边界条件数学模型及数值处理方法,提出模拟各流域转动非平衡效应玻尔兹曼模型方程统一算法.通过高、低不同马赫数1：5～25氮气激波结构与自由分子流到连续流全飞行流域不同克努森数（9×10^-4～10）Ramp制动器、圆球、尖双锥飞行器、飞船返回舱外形体再入跨流域绕流模拟研究,将计算结果与有关实验数据、稀薄流DSMC模拟值等结果对比分析,验证统一算法模拟自由分子流到连续流再入过程高超声速绕流问题的可靠性与精度.     

转动非平衡玻尔兹曼模型方程统一算法与全流域绕流计算应用

基于过去开展稀薄自由分子流到连续流气体运动论统一算法框架,采用转动惯量描述气体分子自旋运动,确立含转动非平衡效应各流域统一玻尔兹曼模型方程.基于转动能量对分布函数守恒积分,得到计及转动非平衡效应气体分子速度分布函数方程组,使用离散速度坐标法对分布函数方程所依赖速度空间离散降维;应用拓展计算流体力学有限差分方法,构造直接求解分子速度分布函数的气体动理论数值格式;基于物面质量流量通量守恒与能量平衡关系,发展计及转动非平衡气体动理论边界条件数学模型及数值处理方法,提出模拟各流域转动非平衡效应玻尔兹曼模型方程统一算法.通过高、低不同马赫数1:5～25氮气激波结构与自由分子流到连续流全飞行流域不同克努森数（9×10-4～10）Ramp制动器、圆球、尖双锥飞行器、飞船返回舱外形体再入跨流域绕流模拟研究,将计算结果与有关实验数据、稀薄流DSMC模拟值等结果对比分析,验证统一算法模拟自由分子流到连续流再入过程高超声速绕流问题的可靠性与精度.      

Gas-kinetic unified algorithm for plane external force-driven flows covering all flow regimes by modeling of Boltzmann equation

The nonequilibrium steady gas flows under the external forces are essentially associated with some extremely complicated nonlinear dynamics, due to the acceleration or deceleration effects of the external forces on the gas molecules by the velocity distribution function. In this article, the gas-kinetic unified algorithm (GKUA) for rarefied transition to continuum flows under external forces is developed by solving the unified Boltzmann model equation. The computable modeling of the Boltzmann equation with the external force terms is presented at the first time by introducing the gas molecular collision relaxing parameter and the local equilibrium distribution function integrated in the unified expression with the flow state controlling parameter, including the macroscopic flow variables, the gas viscosity transport coefficient, the thermodynamic effect, the molecular power law, and molecular models, covering a full spectrum of flow regimes. The conservative discrete velocity ordinate (DVO) method is utilized to transform the governing equation into the hyperbolic conservation forms at each of the DVO points. The corresponding numerical schemes are constructed, especially the forward-backward MacCormack predictor-corrector method for the convection term in the molecular velocity space, which is unlike the original type. Some typical numerical examples are conducted to test the present new algorithm. The results obtained by the relevant direct simulation Monte Carlo method, Euler/Navier-Stokes solver, unified gas-kinetic scheme, and moment methods are compared with the numerical analysis solutions of the present GKUA, which are in good agreement, demonstrating the high accuracy of the present algorithm. Besides, some anomalous features in these flows are observed and analyzed in detail. The numerical experience indicates that the present GKUA can provide potential applications for the simulations of the nonequilibrium external-force driven flows, such as the gravity, the electric force, and the Lorentz force fields covering all flow regimes.     

气体动理学格式研究进展

介绍了近年来气体动理学格式(gas-kinetic scheme, GKS, 亦简称BGK 格式) 的主要研究进展, 重点是高阶精度动理学格式及适合从连续流到稀薄流全流域的统一动理学格式. 通过对速度分布函数的高阶展开和对初值的高阶重构, 构造了时间和空间均为三阶精度的气体动理学格式. 研究表明, 相比于传统的基于Riemann 解的高阶格式, 新格式不仅考虑了网格单元界面上物理量的高阶重构, 而且在初始场的演化阶段耦合了流体的对流和黏性扩散, 也能够保证解的高阶精度. 该研究为高精度计算流体力学(computatial uiddymamics, CFD) 格式的建立提供了一条新的途径. 通过分子离散速度空间直接求解Boltzmann 模型方程,在每个时间步长内将宏观量的更新和微观气体分布函数的更新紧密地耦合在一起, 建立了适合任意Knudsen(kn) 数的统一格式, 相比于已有的直接离散格式具有更高的求解效率. 最后, 本文还讨论了合理的物理模型对数值方法的重要性. 气体动理学方法的良好性能来自于Boltzmann 模型方程对计算网格单元界面上初始间断的时间演化的准确描述. 气体自由运动与碰撞过程的耦合是十分必要的. 通过分析数值激波层内的耗散机制,我们认识到采用Euler 方程的精确Riemann 解作为现代可压缩CFD 方法的基础具有根本的缺陷, 高马赫数下的激波失稳现象不可避免. 气体动理学格式为构造数值激波结构提供了一个重要的可供参考的物理机制.      

Gas-kinetic numerical schemes for one- and two-dimensional inner flows

Several kinds of explicit and implicit finite-difference schemes directly solving the discretized velocity distribution functions are designed with precision of different orders by analyzing the inner characteristics of the gas-kinetic numerical algorithm for Boltzmann model equation. The peculiar flow phenomena and mechanism from various flow regimes are revealed in the numerical simulations of the unsteady Sod shock-tube problems and the two-dimensional channel flows with different Knudsen numbers. The numerical remainder-effects of the difference schemes are investigated aad analyzed based on the computed results. The ways of improving the computational efficiency of the gaskinetic numerical method and the computing principles of difference discretization are discussed.     

Numerical investigation from rarefied flow to continuum by solving the Boltzmann model equation

Based on the Bhatnagar–Gross–Krook (BGK) Boltzmann model equation, the unified simplified velocity distribution function equation adapted to various flow regimes can be presented. The reduced velocity distribution functions and the discrete velocity ordinate method are developed and applied to remove the velocity space dependency of the distribution function, and then the distribution function equations will be cast into hyperbolic conservation laws form with non‐linear source terms. Based on the unsteady time‐splitting technique and the non‐oscillatory, containing no free parameters, and dissipative (NND) finite‐difference method, the gas kinetic finite‐difference second‐order scheme is constructed for the computation of the discrete velocity distribution functions. The discrete velocity numerical quadrature methods are developed to evaluate the macroscopic flow parameters at each point in the physical space. As a result, a unified simplified gas kinetic algorithm for the gas dynamical problems from various flow regimes is developed. To test the reliability of the present numerical method, the one‐dimensional shock‐tube problems and the flows past two‐dimensional circular cylinder with various Knudsen numbers are simulated. The computations of the related flows indicate that both high resolution of the flow fields and good qualitative agreement with the theoretical, DSMC and experimental results can be obtained. Copyright © 2003 John Wiley & Sons, Ltd.     

稀薄流到连续流的气体运动论模型方程算法研究

通过引入碰撞松弛参数和当地平衡态分布函数对BGK模型方程进行修正，确定含流态控制参数可描述不同流域气体流动特性的气体分子速度分布函数的简化控制方程。发展和应用离散速度坐标法于气体分子速度空间，利用一套在物理空间和时间上连续而速度空间离散的分布函数来代替原分布函数对速度空间的连续依赖性。基于非定常时间分裂数值计算方法和无波动、无自由参数的NND耗散差分格式，建立直接求解气体分子速度分布函数的气体运动论有限差分数值方法。推广应用改进的Gauss-Hermite无穷积分法和华罗庚－王元提出的以单和逼近重积分的黄金分割数论积分方法等，对离散速度空间进行宏观取矩获取物理空间各点的气体流动参数，由此发展一套从稀薄流到连续流各流域统一的气体运动论数值算法。通过对不同Knudsen数下一维激波管问题、二维圆柱绕流和三维球体绕流的初步数值实验表明文中发展的数值算法是可行的。     

一种简单的局部离散速度统一气体动理论格式

统一气体动理论格式UGKS(Unified Gas-Kinetic Scheme)是一种适用于从连续流到自由分子流的全流域计算格式。在该格式中一般使用统一的离散速度空间。而在高速流动中,不同节点的分布函数往往差异很大。为了保证计算的精度,离散速度空间必须满足所有节点的需要,占用了大量的内存。采用局部的均匀离散速度空间,离散速度的范围随节点状态的变化而变化,从而降低了内存的需要,并通过引入背景网格避免了不同节点离散速度的插值。最后,通过两个一维算例对该方法进行了测试。测试结果显示,采用局部离散速度空间能够得到可靠的结果,并且在模拟高速流动时计算效率明显提高。     

Numerical investigation on performance of three solution reconstructions at cell interface in DVM simulation of flows in all Knudsen number regimes

In the conventional discrete velocity method (DVM), the local solution of collisionless Boltzmann equation with a piecewise constant distribution for the distribution function is utilized to reconstruct distribution function at the cell interface and then calculate numerical flux of Boltzmann equation for updating the distribution function at cell center. In this process, a numerical dissipation will be introduced into the solution due to neglecting of the collision effect at the cell interface. This numerical dissipation may deteriorate the solution accuracy of conventional DVM in the continuum flow regime, in which the particle collision happens frequently. To overcome this defect, two improved schemes are first presented in this work, in which the local discrete solution of Boltzmann equation with Shakhov model is adopted to evaluate the distribution function at the cell interface, while the equilibrium state of the local solution is computed by different ways. One of the improved schemes evaluates the equilibrium state exactly by the moments of distribution functions according to the compatibility condition, while the other computes the equilibrium state approximately by a simple average at the cell interface. Since the collision effect is incorporated in evaluation of numerical flux, the improved schemes can provide reasonable solutions in all flow regimes. On the other hand, they introduce some extra computational efforts for determining the collision term at the cell interface as compared with the conventional DVM. To assess the performance of different methods for simulation of flows in all flow regimes, a comprehensive study is then carried out in this work.     

Application of adaptive mesh refinement method to complex flows in clean rooms

The adaptive mesh refinement (AMR) method is developed for three-dimensional turbulent complex flows in clean rooms using the finite volume method with a collocated grid arrangement. Clean rooms have many interesting and complex flow characteristics especially the secondary flows and the recirculation regions. The accurate numerical solution of the flows is important for the efficient design of clean rooms. The use of the conventional uniform grid requires such a high computational time and data storage capacity that they make computational fluid dynamics (CFD) less attractive for the design optimization. The AMR method is, therefore, applied by using the fine grid only in the required regions and using the coarse grid in the other regions. The velocity is chosen as the main parameter for the grid refinement because it is the most influential parameter in clean rooms. The results show that the present AMR method can reduce the computational time by eight times and the data storage requirement is only 37% of that using the conventional method, while the same order of accuracy can be maintained. The present AMR method is, therefore, proved to be a promising technique for solving three-dimensional turbulent complex flows in clean rooms.     

Role of the momentum interpolation mechanism of the Roe scheme in shock instability

The shock instability phenomenon is a well‐known problem for hypersonic flow computation by the shock‐capturing Roe scheme. The pressure checkerboard is another well‐known problem for low‐Mach‐number flow computation. The momentum interpolation method (MIM) is necessary for low‐Mach‐number flows to suppress the pressure checkerboard problem, and the pressure‐difference‐driven modification for cell face velocity can be regarded as a version of the MIM by subdividing the numerical dissipation of the Roe scheme. In this paper, MIM has been discovered through analysis and numerical tests to have the most important function in shock instability. MIM should be completely removed for nonlinear flows. However, the unexpected MIM is activated on the cell face nearly parallel to the flow for the high‐Mach‐number flows or low‐Mach‐number cells in numerical shock. Therefore, MIM should be retained for low‐Mach‐number flows and be completely removed for high‐Mach‐number flows and low‐Mach‐number cells in numerical shock. For such conditions, two coefficients are designed on the basis of the local Mach number and a shock detector. Thereafter, the improved Roe scheme is proposed. This scheme considers the requirement of MIM for incompressible and compressible flows, and is validated for good performance of numerical tests. An acceptable result can also be obtained with only the Mach number coefficient for general practical computation. Therefore, the objective of decreasing rather than increasing numerical dissipation to cure shock instability can be achieved with simple modification. Moreover, the mechanism of shock instability has been profoundly understood, in which MIM plays the most important role, although it is not the only factor. Copyright © 2016 John Wiley & Sons, Ltd.     

气体动理学格式与多尺度流动模拟

介绍了气体动理学格式(GKS)的基本构造原理及其在两种典型多尺度流动模拟中的应用。GKS利用介观BGK方程的跨尺度演化解来构造网格界面上的数值通量,从而发展出能随计算网格尺度变化自动切换物理模型的多尺度方法。对湍流这种宏观多尺度流动,发展了高精度GKS方法并成功用于低雷诺数湍流的直接数值模拟;为实现对高雷诺数湍流的高效精细模拟,基于拓展BGK方程和已有的RANS,LES模型建立了新型多尺度模拟框架。对跨流域稀薄流动,发展了适合大规模并行的三维统一气体动理学格式(UGKS),并建立了适合轴对称稀薄流动的UGKS。研究表明,GKS在多尺度流动高效模拟中的优异性能,具有很好的发展前景。     

GENSMAC3D: a numerical method for solving unsteady three‐dimensional free surface flows

A numerical method for solving three‐dimensional free surface flows is presented. The technique is an extension of the GENSMAC code for calculating free surface flows in two dimensions. As in GENSMAC, the full Navier–Stokes equations are solved by a finite difference method; the fluid surface is represented by a piecewise linear surface composed of quadrilaterals and triangles containing marker particles on their vertices; the stress conditions on the free surface are accurately imposed; the conjugate gradient method is employed for solving the discrete Poisson equation arising from a velocity update; and an automatic time step routine is used for calculating the time step at every cycle. A program implementing these features has been interfaced with a solid modelling routine defining the flow domain. A user‐friendly input data file is employed to allow almost any arbitrary three‐dimensional shape to be described. The visualization of the results is performed using computer graphic structures such as phong shade, flat and parallel surfaces. Results demonstrating the applicability of this new technique for solving complex free surface flows, such as cavity filling and jet buckling, are presented. Copyright © 2001 John Wiley & Sons, Ltd.     

A 3D second‐order accurate projection‐based Finite Volume code on non‐staggered,non‐uniform structured grids with continuity preserving properties: application to buoyancy‐driven flows

It is well known that exact projection methods (EPM) on non‐staggered grids suffer for the presence of non‐solenoidal spurious modes. Hence, a formulation for simulating time‐dependent incompressible flows while allowing the discrete continuity equation to be satisfied up to machine‐accuracy, by using a Finite Volume‐based second‐order accurate projection method on non‐staggered and non‐uniform 3D grids, is illustrated. The procedure exploits the Helmholtz–Hodge decomposition theorem for deriving an additional velocity field that enforces the discrete continuity without altering the vorticity field. This is accomplished by first solving an elliptic equation on a compact stencil that is by performing a standard approximate projection method (APM). In such a way, three sets of divergence‐free normal‐to‐face velocities can be computed. Then, a second elliptic equation for a scalar field is derived by prescribing that its additional discrete gradient ensures the continuity constraint based on the adopted linear interpolation of the velocity. Characteristics of the double projection method (DPM) are illustrated in details and stability and accuracy of the method are addressed. The resulting numerical scheme is then applied to laminar buoyancy‐driven flows and is proved to be stable and efficient. Copyright © 2006 John Wiley & Sons, Ltd.     

A linearization of Mieussens's discrete velocity model for kinetic equations

A linearization is developed for Mieussens's discrete velocity model (see, e.g., [L. Mieussens, Discrete-velocity models and numerical schemes for the Boltzmann-BGK equation in plane and axisymmetric geometries, J. Comput. Phys. 162 (2000) 429–466]) for kinetic equations. The basic idea is to use a linearized expression of the reference distribution function in the kinetic equation, instead of its exact expression, in the numerical scheme. This modified scheme is applied to various kinetic models, which include the BGK model, the ES-BGK model, the BGK model with velocity-dependent collision frequency, and the recently proposed ES-BGK model with velocity-dependent collision frequency. One-dimensional stationary shock waves and stationary planar Couette flow, which are two benchmark problems for rarefied gas flows, are chosen as test examples. Molecules are modeled as Maxwell molecules and hard sphere molecules. It is found that results from the modified scheme are very similar to results from the original Mieussens's numerical scheme for various kinetic equations in almost all tests we did, while, depending on the test case, 20–40 percent of computational time can be saved. The application of the method is not affected by the Knudsen number and molecular models, but is restricted to lower Mach numbers for the BGK (or the ES-BGK) model with velocity-dependent collision frequency.     

不同形状微管道中的气体流动

不同形状微尺度管道(圆形、六边形、半圆形、不同宽高比的矩形)中的气体流动特性是微机电系统设计最为关心的问题之一.文中利用信息保存(IP)方法和直接模拟Monte Carlo(DSMC)方法进行研究,给出两种方法的计算结果相互符合,并与其它研究者的BGK模型方程计算结果进行了比较.对于微尺度管道中关心的低Mach数流动, IP方法的统计收敛效率明显优于DSMC方法.通过拟合IP和DSMC结果,给出了圆形、六边形、半圆形、不同宽高比的矩形截面情况下无量纲质量流率与等效Knudsen数的关系.     

气体运动论数值算法在微槽道流中的应用研究

简要介绍基于Boltzmann模型方程的气体运动论数值算法基本思想及其对二维微槽道流动问题数值计算的推广，并阐述适用于微尺度流动问题的气体运动论边界条件数值处理方法。通过对压力驱动的二维微槽道流动问题进行数值模拟，将不同Knudsen数下的微槽道流计算结果分别与有关DSMC模拟值和经滑移流理论修正的N—S方程解进行比较分析，表明基于Boltzmann模型方程的气体运动论数值算法对微槽道气体流动问题具有很好的模拟能力。     

A hybrid pressure‐based solver for nonideal single‐phase fluid flows at all speeds

This paper describes the implementation of a numerical solver that is capable of simulating compressible flows of nonideal single‐phase fluids. The proposed method can be applied to arbitrary equations of state and is suitable for all Mach numbers. The pressure‐based solver uses the operator‐splitting technique and is based on the PISO/SIMPLE algorithm: the density, velocity, and temperature fields are predicted by solving the linearized versions of the balance equations using the convective fluxes from the previous iteration or time step. The overall mass continuity is ensured by solving the pressure equation derived from the continuity equation, the momentum equation, and the equation of state. Nonphysical oscillations of the numerical solution near discontinuities are damped using the Kurganov‐Tadmor/Kurganov‐Noelle‐Petrova (KT/KNP) scheme for convective fluxes. The solver was validated using different test cases, where analytical and/or numerical solutions are present or can be derived: (1) A convergent‐divergent nozzle with three different operating conditions; (2) the Riemann problem for the Peng‐Robinson equation of state; (3) the Riemann problem for the covolume equation of state; (4) the development of a laminar velocity profile in a circular pipe (also known as Poiseuille flow); (5) a laminar flow over a circular cylinder; (6) a subsonic flow over a backward‐facing step at low Reynolds numbers; (7) a transonic flow over the RAE 2822 airfoil; and (8) a supersonic flow around a blunt cylinder‐flare model. The spatial approximation order of the scheme is second order. The mesh convergence of the numerical solution was achieved for all cases. The accuracy order for highly compressible flows with discontinuities is close to first order and, for incompressible viscous flows, it is close to second order. The proposed solver is named rhoPimpleCentralFoam and is implemented in the open‐source CFD library OpenFOAM^®. For high speed flows, it shows a similar behavior as the KT/KNP schemes (implemented as rhoCentralFoam‐solver, Int. J. Numer. Meth. Fluids 2010), and for flows with small Mach numbers, it behaves like solvers that are based on the PISO/SIMPLE algorithm.