The direct simulation Monte Carlo method using unstructured adaptive mesh and its application

The implementation of an adaptive mesh‐embedding (h‐refinement) scheme using unstructured grid in two‐dimensional direct simulation Monte Carlo (DSMC) method is reported. In this technique, local isotropic refinement is used to introduce new mesh where the local cell Knudsen number is less than some preset value. This simple scheme, however, has several severe consequences affecting the performance of the DSMC method. Thus, we have applied a technique to remove the hanging node, by introducing the an‐isotropic refinement in the interfacial cells between refined and non‐refined cells. Not only does this remedy increase a negligible amount of work, but it also removes all the difficulties presented in the originals scheme. We have tested the proposed scheme for argon gas in a high‐speed driven cavity flow. The results show an improved flow resolution as compared with that of un‐adaptive mesh. Finally, we have used triangular adaptive mesh to compute a near‐continuum gas flow, a hypersonic flow over a cylinder. The results show fairly good agreement with previous studies. In summary, the proposed simple mesh adaptation is very useful in computing rarefied gas flows, which involve both complicated geometry and highly non‐uniform density variations throughout the flow field. Copyright © 2002 John Wiley & Sons, Ltd.     

二维自适应非结构网格DSMC并行算法研究

研究了二维自适应非结构网格DSMC并行算法实现的过程.首先提出了一类非结构网格自适应策略,有效降低了网格尺度对计算结果的影响,提高了流场的分辨率;然后基于PC-CLUSTER群机并行体系结构与消息传递库MPI并行环境,利用分区并行思想,设计了非结构网格DSMC并行算法,节约了计算时间.利用For-tran90的动态分配内存技术编制了通用计算程序;最后对过渡流域高超声绕流进行了数值模拟,计算结果初步验证了算法的可行性与有效性.     

A parallel unstructured dynamic mesh adaptation algorithm for 3‐D unsteady flows

An unstructured dynamic mesh adaptation and load balancing algorithm has been developed for the efficient simulation of three‐dimensional unsteady inviscid flows on parallel machines. The numerical scheme was based on a cell‐centred finite‐volume method and the Roe's flux‐difference splitting. Second‐order accuracy was achieved in time by using an implicit Jacobi/Gauss–Seidel iteration. The resolution of time‐dependent solutions was enhanced by adopting an h‐refinement/coarsening algorithm. Parallelization and load balancing were concurrently achieved on the adaptive dynamic meshes for computational speed‐up and efficient memory redistribution. A new tree data structure for boundary faces was developed for the continuous transfer of the communication data across the parallel subdomain boundary. The parallel efficiency was validated by applying the present method to an unsteady shock‐tube problem. The flows around oscillating NACA0012 wing and F‐5 wing were also calculated for the numerical verification of the present dynamic mesh adaptation and load balancing algorithm. Copyright © 2005 John Wiley & Sons, Ltd.     

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.     

Investigation on a coupled Navier–Stokes–Direct Simulation Monte Carlo method for the simulation of plume flowfield of a conical nozzle

To assess the plume effects of space thrusters, the accurate plume flowfield is indispensable. The plume flow of thrusters involves both continuum and rarefied flow regimes. Coupled Navier–Stokes–Direct Simulation Monte Carlo (NS–DSMC) method is a major approach to the simulation of continuum‐rarefied flows. An axisymmetric coupled NS–DSMC solver, possessing adaptive‐interface and two‐way coupling features, is investigated in this paper for the simulation of the nozzle and plume flows of thrusters. The state‐based coupling scheme is adopted, and the gradient local Knudsen number is used to indicate the breakdown of continuum solver. The nitrogen flows in a conical nozzle and its plume are chosen as the reference case to test the coupled solver. The threshold value of the continuum breakdown parameter is studied based on both theoretical kinetic velocity sampling and coupled numerical tests. Succeeding comparisons between coupled and full DSMC results demonstrate their conformities, meanwhile, the former saves 58.8% computational time. The pitot pressure evaluated from the coupled simulation result is compared with the experimental data proposed in literatures, revealing that the coupled method makes precise predictions on the experimental pitot pressure. Copyright © 2014 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。     

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.      

Methods for implementing the stream boundary condition in DSMC computations

In the direct simulation Monte‐Carlo (DSMC) method for simulating rarefied gas flows, the velocities of simulator particles that cross a simulation boundary and enter the simulation space are typically generated using the acceptance–rejection procedure that samples the velocities from a truncated theoretical velocity distribution that excludes low and high velocities. This paper analyses an alternative technique, where the velocities of entering particles are obtained by extending the simulation procedures to a region adjacent to the simulation space, and considering the movement of particles generated within that region during the simulation time step. The alternative method may be considered as a form of acceptance–rejection procedure, and permits the generation of all possible velocities, although the population of high velocities is depleted with respect to the theoretical distribution. Nevertheless, this is an improvement over the standard acceptance–rejection method. Previous implementations of the alternative method gave a number flux lower than the theoretical number required. Two methods for obtaining the correct number flux are presented. For upstream boundaries in high‐speed flows, the alternative method is more computationally efficient than the acceptance–rejection method. However, for downstream boundaries, the alternative method is extremely inefficient. The alternative method, with the correct theoretical number flux, should therefore be used in DSMC computations in favour of the acceptance–rejection method for upstream boundaries in high‐speed flows. Copyright © 2003 John Wiley & Sons, Ltd.     

Mass flow rate prediction of pressure–temperature-driven gas flows through micro/nanoscale channels

In this paper, we study mass flow rate of rarefied gas flow through micro/nanoscale channels under simultaneous thermal and pressure gradients using the direct simulation Monte Carlo (DSMC) method. We first compare our DSMC solutions for mass flow rate of pure temperature-driven flow with those of Boltzmann-Krook-Walender equation and Bhatnagar-Gross-Krook solutions. Then, we focus on pressure–temperature-driven flows. The effects of different parameters such as flow rarefaction, channel pressure ratio, wall temperature gradient and flow bulk temperature on the thermal mass flow rate of the pressure–temperature-driven flow are examined. Based on our analysis, we propose a correlated relation that expresses normalized mass flow rate increment due to thermal creep as a function of flow rarefaction, normalized wall temperature gradient and pressure ratio over a wide range of Knudsen number. We examine our predictive relation by simulation of pressure-driven flows under uniform wall heat flux (UWH) boundary condition. Walls under UWH condition have non-uniform temperature distribution, that is, thermal creep effects exist. Our investigation shows that developed analytical relation could predict mass flow rate of rarefied pressure-driven gas flows under UWH condition at early transition regime, that is, up to Knudsen numbers of 0.5.     

GPU‐accelerated direct numerical simulations of decaying compressible turbulence employing a GKM‐based solver

Gas Kinetic Method‐based flow solvers have become popular in recent years owing to their robustness in simulating high Mach number compressible flows. We evaluate the performance of the newly developed analytical gas kinetic method (AGKM) by Xuan et al. in performing direct numerical simulation of canonical compressible turbulent flow on graphical processing unit (GPU)s. We find that for a range of turbulent Mach numbers, AGKM results shows excellent agreement with high order accurate results obtained with traditional Navier–Stokes solvers in terms of key turbulence statistics. Further, AGKM is found to be more efficient as compared with the traditional gas kinetic method for GPU implementation. We present a brief overview of the optimizations performed on NVIDIA K20 GPU and show that GPU optimizations boost the speedup up‐to 40x as compared with single core CPU computations. Hence, AGKM can be used as an efficient method for performing fast and accurate direct numerical simulations of compressible turbulent flows on simple GPU‐based workstations. Copyright © 2016 John Wiley & Sons, Ltd.     

A novel efficient hybrid DSMC–dynamic collision limiter algorithm for multiscale transitional flows

A new 2D parallel multispecies polyatomic particle–based hybrid flow solver is developed by coupling the Direct Simulation Monte Carlo (DSMC) method with a novel Dynamic Collision Limiter (DCL) approach to solve multiscale transitional flows. The hybrid DSMC‐DCL solver can solve nonequilibrium multiscale flows with length scales ranging from continuum to rarefied. The DCL method, developed in this work, dynamically assigns different number of collisions in cells, which is based on the local value of K‐S parameter such that the number of collisions per time step is limited in near‐equilibrium flow regions. Present hybrid solver uses the Kolmogorov‐Smirnov statistical test as the continuum breakdown parameter, based on which, the solution domain is decomposed into near‐equilibrium and nonequilibrium flow regions. Direct Simulation Monte Carlo is used where nonequilibrium flow regions are encountered, while the DCL method is used where flow regions are found to be in near‐equilibrium state. In this work, we have studied hypersonic flow of nitrogen over a blunt body with an aerospike and supersonic flow of argon through a micronozzle. The results obtained by the hybrid DSMC‐DCL solver are compared and shown to agree well with the experimental data and with those obtained from DSMC, with significant savings in the computational cost.     

Heat transfer effects on particle motion under rarefied conditions

Gas–solid flows occurring on very small spatial scales (of the order of micro and nanometres) are of great relevance in a number of industrial applications. It is currently not well established how particle motion and filtration are affected by non-isothermal conditions at such scales. Furthermore, when the particle size is comparable to the mean free path of the gas, rarefaction effects become important. In the present work we investigate the effects of heat transfer and non-isothermal conditions on the motion of small particles in rarefied flow. For that purpose, a suitable framework is developed here as a generic multiphase DNS method for rarefied flows. The resulting model is valid for low particle Reynolds number flows, irrespective of the Biot number, and for particle Knudsen numbers up to unity in unbounded flow. Using this model, we show that there is different settling behaviour of particles with an internal heat source in rarefied and continuum cases of the carrier gas respectively. It is shown that the chances for thermal levitation and/or lifting up of a particle due to buoyancy effects are significantly reduced under rarefied conditions.     

A high‐precision unstructured adaptive mesh technique for gas–liquid two‐phase flows

Adaptive mesh techniques are used widely in the numerical simulations of fluid flows, and the simulation results with high accuracies are obtained by appropriate mesh adaptations. However, gas–liquid two‐phase flows are still difficult to be simulated on adaptive meshes, especially on unstructured adaptive meshes, because the physical phenomena near gas–liquid interfaces are highly complicated and in general, not modeled appropriately on adaptive meshes. In this paper, a high‐precision unstructured adaptive mesh technique for gas–liquid two‐phase flows is developed and verified/validated. In the unstructured adaptive mesh technique, the PLIC algorithm is employed to simulate interfacial dynamic behaviors and, therefore, the reconstruction method for the interfaces in refined cells is developed, which satisfies the gas and liquid volume conservations and geometrical conservations of interfaces. In addition, the physics‐based consideration is performed on the momentum calculations near interfaces, and the calculation method with gas and liquid momentum conservations is developed. For verification, the slotted‐disk revolution problem is solved. As a result, the unstructured adaptive mesh technique succeeds in reproducing the slotted‐disk shape accurately and well maintaining the shape after one full‐revolution. The dam‐break problem is also simulated and the momentum conservative calculation method succeeds in providing physically appropriate results, which show good agreements with experimental data. Therefore, it is confirmed that the developed unstructured adaptive mesh technique is very efficient to simulate gas–liquid two‐phase flows accurately. Copyright © 2010 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.     

Rarefied gas flow in a triangular duct based on a boundary fitted lattice

The rarefied fully developed flow of a gas through a duct of a triangular cross section is solved in the whole range of the Knudsen number. The flow is modelled by the BGK kinetic equation, subject to Maxwell diffuse boundary conditions. The numerical solution is based on the discrete velocity method, which is applied for first time on a triangular lattice in the physical space. The boundaries of the flow and computational domains are identical deducing accurate results with modest computational effort. Results on the velocity profiles and on the flow rates for ducts of various triangular cross sections are reported and they are valid in the whole range of gas rarefaction. Their accuracy is validated in several ways, including the recovery of the analytical solutions at the free molecular and hydrodynamic limits. The successful implementation of the triangular grid elements is promising for generalizing kinetic type solutions to rarefied flows in domains with complex boundaries using adaptive and unstructured grids.     

Development of highly accurate interpolation method for mesh‐free flow simulations II. Application of CIVA method to incompressible flow simulations

This is the second report on the development of a highly accurate interpolation method, which is called cubic interpolation with volume/area (CIVA) co‐ordinates, for mesh‐free flow simulations. In this paper, the method of determining the c‐parameter of CIVA using a constant curvature condition is first considered for the two‐ and three‐dimensional cases. A computation of a three‐dimensional passive scalar advection problem is performed for accuracy verification and for comparison with widely used methods. Then, an application algorithm of the CIVA method respecting incompressible fluid simulation is presented. As the incompressible condition based on Lagrangian approaches causes problems, in this paper we consider the condition based on the conventional Eulerian approach. The CIVA‐based incompressible flow simulation algorithm enables a highly accurate simulation of many kinds of problems that have complicated geometries and involve complicated phenomena. To confirm the facts, numerical analyzes are executed for some benchmark problems, namely flow in a square cavity, free surface sloshing and moving boundary problems in complex geometries. The results show that the method achieves high accuracy and has high flexibility, even for the flows involving high Reynolds number, complicated geometries, moving boundaries and free surfaces. Copyright © 2000 John Wiley & Sons, Ltd.     

开式空腔流动的蒙特卡罗直接模拟

蒙特卡罗直接模拟(Direct Simulation Monte-Carlo)方法是一种基于分子动力论的随机性数值模拟方法，它在各类稀薄气体流动模拟中得到了广泛应用。本文首先讨论了DSMC方法的基本原理，引用文献结果论述了DSMC方法与Boltzmann方程的内在一致性，采用DSMC方法从分子运动论层次对过渡区开式空腔流动进行精细模拟，再现空腔内旋涡的形成及发展过程，了解复杂流场的流场特性。模拟和分析了空腔的形状(展弦比)、壁温以及Knudsen数(稀薄性)等因素对空腔内流动和旋涡结构的影响。研究表明，空腔的展弦比、壁面温度以及流动Knudsen数等因素对空腔内旋涡的大小、形状、位置、个数都有极大的影响，应用DSMC方法可以真实再现稀薄条件下的开式空腔流动。     

Development of circular function‐based gas‐kinetic scheme (CGKS) on moving grids for unsteady flows through oscillating cascades

In this paper, the circular function‐based gas‐kinetic scheme (CGKS), which was originally developed for simulation of flows on stationary grids, is extended to solve moving boundary problems on moving grids. Particularly, the unsteady flows through oscillating cascades are our major interests. The main idea of the CGKS is to discretize the macroscopic equations by the finite volume method while the fluxes at the cell interface are evaluated by locally reconstructing the solution of the continuous Boltzmann Bhatnagar–Gross–Krook equation. The present solver is based on the fact that the modified Boltzmann equation, which is expressed in a moving frame of reference, can recover the corresponding macroscopic equations with Chapman–Enskog expansion analysis. Different from the original Maxwellian function‐based gas‐kinetic scheme, in improving the computational efficiency, a simple circular function is used to describe the equilibrium state of distribution function. Considering that the concerned cascade oscillating problems belong to cases that the motion of surface boundary is known a priori, the dynamic mesh method is suitable and is adopted in the present work. In achieving the mesh deformation with high quality and efficiency, a hybrid dynamic mesh method named radial basic functions‐transfinite interpolation is presented and applied for cascade geometries. For validation, several numerical test cases involving a wide range are investigated. Numerical results show that the developed CGKS on moving grids is well applied for cascade oscillating flows. And for some cases where nonlinear effects are strong, the solution accuracy could be effectively improved by using the present method. Copyright © 2017 John Wiley & Sons, Ltd.     

Coupled Navier–Stokes—Molecular dynamics simulations using a multi‐physics flow simulation framework

Simulation of nano‐scale channel flows using a coupled Navier–Stokes/Molecular Dynamics (MD) method is presented. The flow cases serve as examples of the application of a multi‐physics computational framework put forward in this work. The framework employs a set of (partially) overlapping sub‐domains in which different levels of physical modelling are used to describe the flow. This way, numerical simulations based on the Navier–Stokes equations can be extended to flows in which the continuum and/or Newtonian flow assumptions break down in regions of the domain, by locally increasing the level of detail in the model. Then, the use of multiple levels of physical modelling can reduce the overall computational cost for a given level of fidelity. The present work describes the structure of a parallel computational framework for such simulations, including details of a Navier–Stokes/MD coupling, the convergence behaviour of coupled simulations as well as the parallel implementation. For the cases considered here, micro‐scale MD problems are constructed to provide viscous stresses for the Navier–Stokes equations. The first problem is the planar Poiseuille flow, for which the viscous fluxes on each cell face in the finite‐volume discretization are evaluated using MD. The second example deals with fully developed three‐dimensional channel flow, with molecular level modelling of the shear stresses in a group of cells in the domain corners. An important aspect in using shear stresses evaluated with MD in Navier–Stokes simulations is the scatter in the data due to the sampling of a finite ensemble over a limited interval. In the coupled simulations, this prevents the convergence of the system in terms of the reduction of the norm of the residual vector of the finite‐volume discretization of the macro‐domain. Solutions to this problem are discussed in the present work, along with an analysis of the effect of number of realizations and sample duration. The averaging of the apparent viscosity for each cell face, i.e. the ratio of the shear stress predicted from MD and the imposed velocity gradient, over a number of macro‐scale time steps is shown to be a simple but effective method to reach a good level of convergence of the coupled system. Finally, the parallel efficiency of the developed method is demonstrated. Copyright © 2009 John Wiley & Sons, Ltd.     

A finite volume unstructured multigrid method for efficient computation of unsteady incompressible viscous flows

An unstructured non‐nested multigrid method is presented for efficient simulation of unsteady incompressible Navier–Stokes flows. The Navier–Stokes solver is based on the artificial compressibility approach and a higher‐order characteristics‐based finite‐volume scheme on unstructured grids. Unsteady flow is calculated with an implicit dual time stepping scheme. For efficient computation of unsteady viscous flows over complex geometries, an unstructured multigrid method is developed to speed up the convergence rate of the dual time stepping calculation. The multigrid method is used to simulate the steady and unsteady incompressible viscous flows over a circular cylinder for validation and performance evaluation purposes. It is found that the multigrid method with three levels of grids results in a 75% reduction in CPU time for the steady flow calculation and 55% reduction for the unsteady flow calculation, compared with its single grid counterparts. The results obtained are compared with numerical solutions obtained by other researchers as well as experimental measurements wherever available and good agreements are obtained. Copyright © 2004 John Wiley & Sons, Ltd.