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.      

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。     

不可压N-S方程高效算法及二维槽道湍流分析

构造了基于非等距网格的迎风紧致格式,并将其与三阶精度的Adams半隐方法相结合,构造了求解不可压N－S方程高效算法。该算法利用基于交错网格的离散形式的压力Poisson方程求解压力项,解决了边界处的残余散度问题;同时还利用快速Fourier变换将方程的隐式部分解耦,离散后的代数方程组利用追赶法求解,大大减少了计算量。通过对二维槽道流动的数值模拟,证实了所构造的数值方法具有精度高,稳定性好,能抑制混淆误差等优点,同时具有很高的计算效率,是进行壁湍流直接数值模拟的有效方法。在数值模拟的基础上对二维槽道流动进行了分析,得到了Reynolds数从6000到15000的二维流动饱和态解（所谓“二维槽道湍流”）;定性及定量结果均与他人的数值计算结果吻合十分理想。对流场进行了分析,指出了“二维湍流”与三维湍流统计特性的区别。     

低速二维流动的粒子仿真研究

本文运用信息保存法对低速二维的流动现象进行模拟，考察了低速条件下的有限平板绕流以及微槽道气体流动问题。研究表明：在对低速流动的模拟过程中，运用IP法在能够获得较好的结果的同时，具有比DSMC方法更高的计算效率。     

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 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.     

绕流直接数值模拟误差分析

对于无边界绕流问题的计算流体力学模拟通常是将物体置于“足够大”的槽道中，而通过不断改变槽道尺寸以及离散网格密度，后验对比方式来检查模拟误差。本文结合多种经典流场理论，提出一种简单的先验误差估计方法来确定槽道尺寸以及相应的网格分布。在此方法中，对于槽道尺寸的确定基于线性叠加原理（即在极小雷诺数下采用Stokes理论解叠加，而在其他雷诺数条件下采用势流理论解叠加），来估计槽道尺寸对绕流结果的影响。而对网格尺寸与分布，则是使用多项式逼近中的基本误差分析工具，应用到速度边界层，远场势流，以及Rankine涡等简单流动，从而确定整个绕流问题中的离散误差。为了验证前面的理论分析结果，本文模拟了相当大雷诺数范围内的二维翼型以及三维圆球绕流，所得数值结果非常好地验证了理论分析。结果表明，对于Stokes流动问题，槽道尺寸需要大约100倍于物体特征尺寸来保证其结果与无边界绕流相差不超过1%；而在雷诺数超过大约100时，槽道尺寸只需10倍（二维绕流）或者5倍（三维绕流）于物体特征尺寸来达到同等精度。在此先验误差估计方法可应用于一般化的绕流问题。     

基于格子Boltzmann方法的粘弹性流体圆柱绕流分析

将光滑界面法引入到格子Boltzmann方法中分析粘弹性流体绕流问题，分别采用单松弛模型和对流扩散模型求解运动方程和Oldroyd-B本构方程，针对圆形和椭圆内部边界条件，给出连续界面插值函数，在此基础上，运用光滑界面法将内部边界转换为作用力项施加到演化方程中。首先分析圆柱绕流问题，给出不同材料参数情况下的流场分布和阻力系数计算结果，比较发现与宏观数值模拟结果相吻合。将模型拓展到绕椭圆流动中，分析椭圆形状和材料参数对粘弹性流体绕柱流的影响，发现随着椭圆长轴与短轴比值的增加和维森伯格数的增加，阻力系数逐渐下降，并且长短轴比对迭代收敛有较大影响。     

基于多块对接网格的隐式气体运动论统一算法应用研究

基于玻尔兹曼模型方程的气体运动论统一算法(gas kinetic unified algorithm,GKUA) 给出了一种能模拟从连续流到自由分子流跨流域空气动力学问题的途径. 该算法采用传统计算流体力学技术将分子运动和碰撞解耦处理,若采用显式格式将受格式稳定条件限制,在模拟超声速流动尤其是近连续流和连续流区的流动时计算效率较低. 为了提高计算效率,扩展其工程实用性,采用上下对称高斯-赛德尔(LU-SGS) 方法和有限体积法构造了求解玻尔兹曼模型方程的隐式方法,同时在物理空间采用能处理任意连接关系的多块对接网格技术. 通过模拟近连续过渡区并排圆柱绕流问题,计算结果与直接模拟蒙特卡洛方法模拟值吻合较好,验证了该方法用于跨流域空气动力计算的可靠性与可行性.      

粘弹流体轴对称流动的格子Boltzmann方法

基于BGK碰撞模型，通过在迁移方程中引入作用力项，建立了粘弹流体的轴对称格子Boltzmann模型．通过Chapman-Enskog展开，获得了准确的柱坐标下轴对称宏观流动方程．采用双分布函数对运动方程和本构方程进行迭代求解，模拟分析了粘弹流体管道流动，获得了流场中的速度和构型张量的分布，通过与解析解进行比较，验证了模型的准确性．研究了作为粘弹流体流动基准问题的收敛流动，对涡旋位置进行了定量分析，将回转长度的计算结果与有限体积法进行了比较，两种数值结果十分吻合．研究结果表明，模型能够准确表征粘弹流体的轴对称流动，具有较广阔的应用前景．     

Gas-kinetic numerical method for solving mesoscopic velocity distribution function equation

A gas-kinetic numerical method for directly solving the mesoscopic velocity distribution function equation is presented and applied to the study of three-dimensional complex flows and micro-channel flows covering various flow regimes. The unified velocity distribution function equation describing gas transport phenomena from rarefied transition to continuum flow regimes can be presented on the basis of the kinetic Boltzmann–Shakhov model equation. The gas-kinetic finite-difference schemes for the velocity distribution function are constructed by developing a discrete velocity ordinate method of gas kinetic theory and an unsteady time-splitting technique from computational fluid dynamics. Gas-kinetic boundary conditions and numerical modeling can be established by directly manipulating on the mesoscopic velocity distribution function. A new Gauss-type discrete velocity numerical integration method can be developed and adopted to attack complex flows with different Mach numbers. HPF parallel strategy suitable for the gas-kinetic numerical method is investigated and adopted to solve three-dimensional complex problems. High Mach number flows around three-dimensional bodies are computed preliminarily with massive scale parallel. It is noteworthy and of practical importance that the HPF parallel algorithm for solving three-dimensional complex problems can be effectively developed to cover various flow regimes. On the other hand, the gas-kinetic numerical method is extended and used to study micro-channel gas flows including the classical Couette flow, the Poiseuille- channel flow and pressure-driven gas flows in two-dimensional short micro-channels. The numerical experience shows that the gas-kinetic algorithm may be a powerful tool in the numerical simulation of micro-scale gas flows occuring in the Micro-Electro-Mechanical System (MEMS). The project supported by the National Natural Science Foundation of China (90205009 and 10321002), and the National Parallel Computing Center in Beijing. The English text was polished by Yunming Chen.     

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.     

MEMS稀薄气体内部流动模拟中的信息保存法

首先综述了处理低速稀薄气体流动的一些方法: 线化Boltzmann方程方法、Lattice Boltzmann方法(LBM)、加滑移边界的Navier-Stokes方程、以及DSMC方法, 并讨论它们在模拟MEMS中过渡领域低速流动特别是内部流动所遇到的困难, 其中表明了LBM现有方案不适合模拟过渡领域中的MEMS流动问题. 信息保存(IP)法通过保存一个模拟分子所代表的大量分子的平均信息,克服了流速低使得信息噪声比小而引起统计模拟的困难. 本文给出了方法的一些理论证实. MEMS中内部流动的特点, 即流速低和大的长宽比的特点, 引起椭圆性问题, 即出入口边界条件相互影响需要协调的问题. 通过对(长约几千微米的)微槽道流动应用IP方法的算例,演示了采用守恒形式的质量守恒方程和超松弛法可成功地解决这一问题. 借助同样的方法,用IP方法求解了真实长度(1\,000\,$\mu$m)硬盘驱动器读写头在过渡领域的薄膜支撑问题, 压力分布与具有严格气体动理论基础的概括化Reynolds方程完全相符, 而在此之前, DSMC方法只对短的读写头(5\,$\mu$m)与Reynolds方程做了校验. 作者建议将原来用于求解读写头润滑问题的Reynolds方程退化来求解过渡领域中的微槽道流动问题, 从而提供了一个有严格气体动理论品性的检验方法来验证求解MEMS内部流动的各种方法.      

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.     

A gas‐kinetic scheme for the simulation of turbulent flows on unstructured meshes

This paper presents a numerical method for simulating turbulent flows via coupling the Boltzmann BGK equation with Spalart–Allmaras one equation turbulence model. Both the Boltzmann BGK equation and the turbulence model equation are carried out using the finite volume method on unstructured meshes, which is different from previous works on structured grid. The application of the gas‐kinetic scheme is extended to the simulation of turbulent flows with arbitrary geometries. The adaptive mesh refinement technique is also adopted to reduce the computational cost and improve the efficiency of meshes. To organize the unstructured mesh data structure efficiently, a non‐manifold hybrid mesh data structure is extended for polygonal cells. Numerical experiments are performed on incompressible flow over a smooth flat plate and compressible turbulent flows around a NACA 0012 airfoil using unstructured hybrid meshes. These numerical results are found to be in good agreement with experimental data and/or other numerical solutions, demonstrating the applicability of the proposed method to simulate both subsonic and transonic turbulent flows. Copyright © 2016 John Wiley & Sons, Ltd.     

复杂微通道气体流动的格子Boltzmann模拟

构建了一个模拟复杂微通道内气体流动的多松弛格子Boltzmann模型。该模型采用动力学曲面滑移边界,考虑了微尺度效应和努森层影响。此外,为了更准确地描述微通道内气体的滑移速度,在模型中引入孔隙局部Kn数来代替平均Kn数。之后采用Poiseuille流对模型进行验证,模拟结果与用直接模拟蒙特卡洛方法和分子模拟结果吻合较好,证明了该模型模拟微通道内处于滑移区和过渡区气体流动的有效性。最后,采用该模型模拟多孔介质内气体渗流过程。结果表明,随着孔隙平均Kn数的增加,多孔介质内的高渗区域增加,且优先从小孔隙中开始增加,这是由于小孔隙中微尺度效应更加明显,相对大孔隙流动阻力更小所致。