基于气液相界面捕捉的统一气体动理学格式

气液相界面运动的研究无论是在科学还是工程领域都是非常重要的. 其中, 非平衡流动的计算尤其受到关注. 基于此, 我们构造了捕捉气液相界面的统一气体动理学格式. 由于统一气体动理学格式将自由输运和粒子碰撞耦合起来更新宏观物理量和微观分布函数, 故而可以求解非平衡流动. 具体思路是, 通过将范德瓦尔斯状态方程所表达的非理想气体效应引入统一气体动理学格式之中来捕捉气液相界面, 两相的分离与共存通过范德瓦尔斯状态方程描述. 由于流体在椭圆区域是不稳定的, 因此气液相界面可以通过蒸发和凝结过程自动捕捉. 如此, 一个锋锐的相界面便可以通过数值耗散和相变而得到. 利用该方法得到麦克斯韦等面积律(Maxwell construction)对应的数值解, 并与其相应的理论解相比较, 二者符合良好. 而后, 通过对范德瓦尔斯状态方程所描述的液滴表面张力进行数值计算, 验证了Laplace定理. 此外, 通过模拟两个液滴的碰撞融合过程, 进一步证明了该格式的有效性. 但是, 由于范德瓦尔斯状态方程的特性, 其所构造的格式仅适用于液/气两相密度比小于5的情况.      

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。     

数值摄动算法及其CFD格式

作者提出的数值摄动算法把流体动力学效应耦合进NS方程组和对流扩散（CD）方程离散的数学基本格式（MBS）,特别是耦合进最简单的MBS即一阶迎风和二阶中心格式之中,由此构建成一系列新格式,称呼方便和强调耦合流体动力学起见,称它们为流体力学基本格式（FMBS）。构建FMBS的主要步骤是把MBS中的通量摄动重构为步长的幂级数,利用空间分裂和导出的高阶流体动力学关系式,把结点变量展开成Taylor级数,通过消除重构格式修正微分方程的截断误差诸项求出幂级数的待定系数,由此获得非线性FMBS。FMBS的公式是MBS与 （及 ）之简单多项式的乘积, 和 分别是网格Reynolds数和网格CFL数。FMBS和MBS使用相同结点,简单性彼此相当,但FMBS精度高稳定范围大,例如FMBS包含了许多绝对稳定和绝对正型、高阶迎风和中心有限差分（FD）格式和有限体积（FV）格式,这些格式对网格Reynolds数的任意值均为不振荡格式。可见对不振荡CFD格式的构建,数值摄动算法提供了不同于调节数值耗散等常见的人为构建方法,而利用流体力学自身关系以及把迎风机制通过上、下游摄动重构引入中心MBS的解析构建方法,FMBS除了直接应用于流体计算外;对于通过调节数值耗散、色散和数值群速度特性重构高分辨率格式的研究,最简单FMBS提供了比最简单MBS更精确、但同样简单的基础和起步格式。FMBS用于计算不可压缩流,可压缩流,液滴萃取传质,微通道两相流等,均获得良好数值结果或与已有Benchmark解一致的数值结果。已有文献称数值摄动算法为新型高精度格式和高的算法和高的格式;本文FMBS比数值摄动格式的称呼可更好反映FMBS的物理内容。文中也讨论了值得进一步研究的一些课题,该法亦可用于其它一些数学物理方程（例如,简化Boltzmann方程、磁流体方程、KdV-Burgers方程等）MBS耦合物理动力学效应的重构。      

基于三角网格的四阶Hermite型对流守恒格式

提出一种基于三角网格的求解双曲对流方程的高阶守恒型格式.该格式首先在每个三角单元上重构二元三次Hermite插值多项式,以当前时刻单元节点处解的函数值、一阶空间导数值和该单元的积分平均值为插值条件.然后,利用Semi-Lagrange方法得到单元节点处的下一时刻解的函数值及导数值,而下一时刻的解的单元积分平均值由有限体积方法得到.本文所提出的格式将原始CIP方法从结构网格推广到非结构网格上,使得CIP方法能灵活地用于处理复杂边界问题.该格式为显式紧致格式,计算简单且易于实现.数值实验表明,该格式对于光滑解问题能达到四阶空间精度,而对于非光滑解问题能准确地捕捉激波的位置,改进了原始CIP格式的不守恒性.     

网格与高精度差分计算问题

研究NS方程差分求解时来流雷诺数、计算格式精度和计算网格之间的关系．给出了判定空间三个方向上的粘性贡献在给定雷诺数、格式精度和网格下是否能够正确计入的估计方法．指出在NS方程的二阶差分方法的数值模拟中,由于物面法向采用了压缩网格技术,物面附近的网格间距很小,该方向上的粘性贡献可被计入．但是如果流向和周向的网格较粗,相应的差分方程中的粘性贡献可能落入截断误差相同的量级,因此在精度上等于仍是求解略去流向和周向粘性项的薄层近似方程．指出,高阶精度的差分计算格式,可以避免对网格要求苛刻的困难．并进一步讨论了建立高阶精度格式的问题,提出了建立高阶精度格式应该满足的原则：耗散控制原则以及色散控制原则．为了避免激波附近可能出现的微小非物理振荡,建议发展混合高阶精度格式,即在激波区,采用网格自适应的NND格式,在激波以外的区域,采用按上述原则发展的高阶格式．     

对流扩散方程QUICK格式的数值摄动高精度重构格式

利用高智提出的数值摄动算法, 把对流扩散方程的常用QUICK格式(黏性和对流项分别用二阶中心和QUICK格式离散)进行了高精度重构, 包括利用离散单元内所有结点的全域重构和分别利用离散单元内上下游结点的上下游重构, 得到两类新的更高阶精度的数值摄动重构格式, 称为高的QUICK格式(G-QUICK格式). G-QUICK格式与QUICK格式相比简单性相当, 但精度更高; 全域重构G-QUICK格式和QUICK格式均为条件稳定, 上下游重构得到一些绝对稳定的G-QUICK格式. 解析分析和数值算例均证实了G-QUICK格式的优良性能, 上下游重构的G-QUICK格式为在对流扩散方程的QUICK格式中避免使用人工黏性提供了新途径.      

基于四阶半离散中心迎风格式的虚拟流方法的应用

给出了求解多维无粘可压Euler方程组的四阶半离散中心迎风格式,该格式根据非线性波在网格单元边界上传播的局部速度来更准确地估计局部Riemann的宽度,避免了计算网格的交错,降低了格式的数值粘性。同时,考虑到Level Set函数能隐式地追踪到界面的位置,而虚拟流的构造能隐式地捕捉到界面的边界条件,因此再将新的四阶半离散中心迎风格式与Level Set方法以及虚拟流方法相结合,成功地处理了非反应激波和多介质流中爆轰间断的追踪问题。     

非结构网格二阶有限体积法中黏性通量离散格式精度分析与改进

非结构网格二阶有限体积离散方法广泛应用于计算流体力学工程实践中,研究非结构网格二阶精度有限体积离散方法的计算精度具有现实意义. 计算精度主要受到网格和计算方法的影响,本文从单元梯度重构方法、黏性通量中的界面梯度计算方法两个方面考察黏性流动模拟精度的影响因素. 首先从理论上分析了黏性通量离散中的“奇偶失联”问题,并通过基于标量扩散方程的制造解方法验证了“奇偶失联”导致的精度下降现象,进一步通过引入差分修正项消除了“奇偶失联”并提高了扩散方程计算精度;其次,在不同类型、不同质量的网格上进行基于扩散方程的制造解精度测试,考察单元梯度重构方法、界面梯度计算方法对扩散方程计算精度的影响,结果显示,单元梯度重构精度和界面梯度计算方法均对扩散方程计算精度起重要作用;最后对三个黏性流动算例(二维层流平板、二维湍流平板和二维翼型近尾迹流动)进行网格收敛性研究,初步验证了本文的结论,得到了计算精度和网格收敛性均较好的黏性通量计算格式.      

非结构网格二阶有限体积法中黏性通量离散格式精度分析与改进

非结构网格二阶有限体积离散方法广泛应用于计算流体力学工程实践中,研究非结构网格二阶精度有限体积离散方法的计算精度具有现实意义.计算精度主要受到网格和计算方法的影响,本文从单元梯度重构方法、黏性通量中的界面梯度计算方法两个方面考察黏性流动模拟精度的影响因素.首先从理论上分析了黏性通量离散中的"奇偶失联"问题,并通过基于标量扩散方程的制造解方法验证了"奇偶失联"导致的精度下降现象,进一步通过引入差分修正项消除了"奇偶失联"并提高了扩散方程计算精度;其次,在不同类型、不同质量的网格上进行基于扩散方程的制造解精度测试,考察单元梯度重构方法、界面梯度计算方法对扩散方程计算精度的影响,结果显示,单元梯度重构精度和界面梯度计算方法均对扩散方程计算精度起重要作用;最后对三个黏性流动算例(二维层流平板、二维湍流平板和二维翼型近尾迹流动)进行网格收敛性研究,初步验证了本文的结论,得到了计算精度和网格收敛性均较好的黏性通量计算格式.     

拉格朗日高阶中心型守恒气体动力学格式

提出了拉格朗日高阶中心型守恒气体动力学格式。用产生于当前时刻子网格密度和当前时刻网格声速的子网格压力构造了子网格力,用加权本质无震荡方法构造的高阶子网格力构造了高阶空间通量,借助时间中点通量的泰勒展开完成了高阶时间通量离散,利用动量守恒条件使得格点速度以与网格面的数值通量相容的方式计算。编制了拉格朗日高阶中心型守恒气体动力学格式,对Saltzman活塞问题进行了数值模拟,数值结果表明,拉格朗日高阶中心型守恒气体动力学格式的有效性和精确性.     

ANALYSIS AND IMPLEMENTATION OF THE GAS-KINETIC BGK SCHEME FOR COMPUTATIONAL GAS DYNAMICS

Gas-kinetic schemes based on the BGK model are proposed as an alternative evolution model which can cure some of the limitations of current Riemann solvers. To analyse the schemes, simple advection equations are reconstructed and solved using the gas-kinetic BGK model. Results for gas-dynamic application are also presented. The final flux function derived in this model is a combination of a gas-kinetic Lax– Wendroff flux of viscous advection equations and kinetic flux vector splitting. These two basic schemes are coupled through a non-linear gas evolution process and it is found that this process always satisfies the entropy condition. Within the framework of the LED (local extremum diminishing) principle that local maxima should not increase and local minima should not decrease in interpolating physical quantities, several standard limiters are adopted to obtain initial interpolations so as to get higher-order BGK schemes. Comparisons for well-known test cases indicate that the gas-kinetic BGK scheme is a promising approach in the design of numerical schemes for hyperbolic conservation laws. © 1997 by John Wiley & Sons, Ltd.     

Unified gas-kinetic simulation of slider air bearing

The unified gas-kinetic scheme (UGKS) is presented and used in this letter to study the slider air bearing problem. The UGKS solutions are first validated by comparison with direct simulation Monte Carlo results. After validation, the UGKS is used to study the air-bearing problem under different non-equilibrium conditions. On the surface of the slider, the dependency of the gas pressure and normal force on the Mach and Knudsen numbers are fully evaluated. The non-equilibrium effect on the force loading in the whole transition regime up to the free molecular limit is also studied.     

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.     

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.      

Two-stage fourth-order gas-kinetic scheme for three-dimensional Euler and Navier-Stokes solutions

ABSTRACT

For the one-stage third-order gas-kinetic scheme (GKS), successful applications have been achieved for the three-dimensional compressible flows [Pan, L., K. Xu, Q. Li, and J. Li. 2016. “An Efficient and Accurate Two-stage Fourth-order Gas-kinetic Scheme for the Navier-Stokes Equations.” Journal of Computational Physics 326: 197–221]. The high-order accuracy of the scheme is obtained by integrating a multidimensional time-accurate gas distribution function over the cell interface within a time step without using Gaussian quadrature points and Runge-Kutta time-stepping technique. However, to the further increase of the order of the scheme, such as the fourth-order one, the one step formulation becomes very complicated for the multidimensional flow. Recently, a two-stage fourth-order GKS with high efficiency has been constructed for two-dimensional inviscid and viscous flow computations ([Li, J., and Z. Du. 2016. “A Two-stage Fourth Order Time-accurate Discretization for Lax-Wendroff Type Flow Solvers I. Hyperbolic Conservation Laws.” SIAM Journal on Scientific Computing 38: 3046–3069]; Pan et al. 2016), and the scheme uses the time accurate flux function and its time derivatives. In this paper, a fourth-order GKS is developed for the three-dimensional flows under the two-stage framework. Based on the three-dimensional WENO reconstruction and flux evaluation at Gaussian quadrature points on a cell interface, the high-order accuracy in space is achieved first. Then, the two-stage time stepping method provides the high accuracy in time. In comparison with the formal third-order GKS [Pan, L., and K. Xu. 2015. “A Third-order Gas-kinetic Scheme for Three-dimensional Inviscid and Viscous Flow Computations.” Computers & Fluids 119: 250–260], the current fourth-order method not only improves the accuracy of the scheme, but also reduces the complexity of the gas-kinetic flux solver greatly. More importantly, the fourth-order GKS has the same robustness as the second-order shock capturing scheme [Xu, K. 2001. “A Gas-kinetic BGK Scheme for the Navier-Stokes Equations and its Connection with Artificial Dissipation and Godunov Method.” Journal of Computational Physics 171: 289–335]. Numerical results validate the outstanding reliability and applicability of the scheme for three-dimensional flows, such as the cases related to turbulent simulations.     

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 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 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.     

Harten-Lax-van Leer-contact (HLLC) approximation Riemann solver with elastic waves for one-dimensional elastic-plastic problems

A Harten-Lax-van Leer-contact (HLLC) approximate Riemann solver is built with elastic waves (HLLCE) for one-dimensional elastic-plastic flows with a hypoelastic constitutive model and the von Mises’ yielding criterion. Based on the HLLCE, a third-order cell-centered Lagrangian scheme is built for one-dimensional elastic-plastic problems. A number of numerical experiments are carried out. The numerical results show that the proposed third-order scheme achieves the desired order of accuracy. The third-order scheme is used to the numerical solution of the problems with elastic shock waves and elastic rarefaction waves. The numerical results are compared with a reference solution and the results obtained by other authors. The comparison shows that the presented high-order scheme is convergent, stable, and essentially non-oscillatory. Moreover, the HLLCE is more efficient than the two-rarefaction Riemann solver with elastic waves (TRRSE).