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.     

DSMC／EPSM混合算法研究

将EPSM算法与DSMC方法结合，构造了可模拟含近连续流区及过渡流区的DSMC/EPSM混合算法。运用混合算法模拟了马赫数等于5时超音速竖板绕流及马赫数等于4时超音速平板绕流，并将结果与DSMC算法的结果进行比较，证明了DSMC／EPSM混合算法的有效性，同时将EPSM算法与DSMC算法的效率进行了比较。     

A hybrid DSMC/Navier–Stokes frame to solve mixed rarefied/nonrarefied hypersonic flows over nano‐plate and micro‐cylinder

We extend a hybrid DSMC/Navier–Stokes (NS) approach to unify the DSMC and the NS simulators in one framework capable of solving the mixed non‐equilibrium and near‐equilibrium flow regions efficiently. Furthermore, we use a one‐way state‐based coupling (Dirichlet–Dirichlet boundary‐condition coupling) to transfer the required information from the continuum region to the rarefied one. The current hybrid DSMC–NS frame is applied to the hypersonic flows over nanoflat plate and microcylinder cases. The achieved solutions are compared with the pure DSMC and NS solutions. The results show that the current hybrid approach predicts the surface heat transfer rate and shear stress magnitudes very accurately. Some important conclusions can be drawn from this study. For example, although the shock wave region would be a non‐equilibrium region, it is not necessary to use a pure DSMC simulator to solve it entirely. This is important when the researchers wish to predict the surface properties such as velocity slip, temperature jump, wall heat flux rate, and friction drag magnitudes accurately. Our investigation showed that our hybrid solution time would be at least 40% (for the flat plate) and 35% (for the cylinder) of the time that must be spent by a pure DSMC solver to attain the same accuracy.Copyright © 2013 John Wiley & Sons, Ltd.     

气体化学反应流动的DSMC／EPSM混合算法研究

发展了平衡粒子模拟方法(EPSM)，建立了与高温气体化学反应动力学理论相匹配的：EPSM耦合模型，并通过混合参数进行流区的自动识别，将：EPSM方法与蒙特卡罗直接模拟方法(OSMC)结合，构造了可模拟化学反应流动的DSMC／EPSM混合算法。应用该算法对汲及化学反应的二维高超音速竖板绕流流场进行模拟，将结果与DSMC方法的结果进行比较，验证了新算法对求解化学反应流动的可行性。将混合算法的计算效率与DSMC方法的计算效率进行比较，发现混合算法能够大大提高计算效率。     

Computation of head–disk interface gap micro flowfields using DSMC and continuum–atomistic hybrid methods

This paper discusses computational modeling of micro flow in the head–disk interface (HDI) gap using the direct simulation Monte Carlo (DSMC) method. Modeling considerations are discussed in detail both for a stand‐alone DSMC computation and for the case of a hybrid continuum–atomistic simulation that couples the Navier–Stokes (NS) equation to a DSMC solver. The impact of the number of particles and number of cells on the accuracy of a DSMC simulation of the HDI gap is investigated both for two‐ and three‐dimensional configurations. An appropriate implicit boundary treatment method for modeling inflow and outflow boundaries is used in this work for a three‐dimensional DSMC micro flow simulation. As the flow outside the slider is in the continuum regime, a hybrid continuum–atomistic method based on the Schwarz alternating method is used to couple the DSMC model in the slider bearing region to the flow outside the slider modeled by NS equation. Schwarz coupling is done in two dimensions by taking overlap regions along two directions and the Chapman–Enskog distribution is employed for imposing the boundary condition from the continuum region to the DSMC region. Converged hybrid flow solutions are obtained in about five iterations and the hybrid DSMC–NS solutions show good agreement with the exact solutions in the entire domain considered. An investigation on the impact of the size of the overlap region on the convergence behavior of the Schwarz method indicates that the hybrid coupling by the Schwarz method is weakly dependent on the size of the overlap region. However, the use of a finite overlap region will facilitate the exchange of boundary conditions as the hybrid solution has been found to diverge in the absence of an overlap region for coupling the two models. Copyright © 2009 John Wiley & Sons, Ltd.     

Modeling wall effects in a micro-scale shock tube using hybrid MD–DSMC algorithm

Wall effects in a micro-scale shock tube are investigated using the Direct Simulation Monte Carlo method as well as a hybrid Molecular Dynamics–Direct Simulation Monte Carlo algorithm. In the Direct Simulation Monte Carlo simulations, the Cercignani–Lampis–Lord model of gas–surface interactions is employed to incorporate the wall effects, and it is shown that the shock attenuation is significantly affected by the choice of the values of tangential momentum accommodation coefficient. A loosely coupled Molecular Dynamics–Direct Simulation Monte Carlo approach is then employed to demonstrate incomplete accommodation in micro-scale shock tube flows. This approach uses fixed values of the accommodation coefficients in the gas–surface interaction model, with their values determined from a separate dynamically similar Molecular Dynamics simulation. Finally, a completely coupled Molecular Dynamics–Direct Simulation Monte Carlo algorithm is used, wherein the bulk of the flow is modeled using Direct Simulation Monte Carlo, while the interaction of gas molecules with the shock tube walls is modeled using Molecular Dynamics. The two regions are separate and coupled both ways using buffer zones and a bootstrap coupling algorithm that accounts for the mismatch of the number of molecules in both regions. It is shown that the hybrid method captures the effect of local properties that cannot be captured using a single value of accommodation coefficient for the entire domain.     

Extension of the DSMC method to high pressure flows

A collision-limiter method, designated as equilibrium direct simulation Monte Carlo (eDSMC), is proposed to extend the DSMC technique to high pressure flows. The method is similar to collision-limiter schemes considered in the past with the important distinction that for inviscid flows, equilibrium is enforced in the entire flow by providing a sufficient number of collisions, based on pre-simulation testing. To test the method with standard DSMC and Navier–Stokes (NS) methods, axi-symmetric nozzle and embedded-channel flows are simulated and compared with experimental temperature data and pre-existing calculations, respectively. The method is shown to agree with third-order Eulerian nozzle flows and first-order channel flows. Chapman–Enskog theory is utilized to predict the range of initial conditions where eDSMC is potentially useful for modeling flows that contain viscous boundary layer regions. Comparison with supersonic nozzle data suggests that the eDSMC method is not adequate for capturing the large variation in flow length scales occurring in supersonic expansions into a vacuum. However, when eDSMC is used in combination with the baseline-DSMC method a near-exact solution is obtained with a considerable computational savings compared to the exact DSMC solution. Viscous flow channel calculations are found to agree well with an exact Navier–Stokes (NS) calculation for a small Knudsen number case as predicted by Chapman–Enskog theory.     

Empirical slip and viscosity model performance for microscale gas flow

For the simple geometries of Couette and Poiseuille flows, the velocity profile maintains a similar shape from continuum to free molecular flow. Therefore, modifications to the fluid viscosity and slip boundary conditions can improve the continuum based Navier–Stokes solution in the non‐continuum non‐equilibrium regime. In this investigation, the optimal modifications are found by a linear least‐squares fit of the Navier–Stokes solution to the non‐equilibrium solution obtained using the direct simulation Monte Carlo (DSMC) method. Models are then constructed for the Knudsen number dependence of the viscosity correction and the slip model from a database of DSMC solutions for Couette and Poiseuille flows of argon and nitrogen gas, with Knudsen numbers ranging from 0.01 to 10. Finally, the accuracy of the models is measured for non‐equilibrium cases both in and outside the DSMC database. Flows outside the database include: combined Couette and Poiseuille flow, partial wall accommodation, helium gas, and non‐zero convective acceleration. The models reproduce the velocity profiles in the DSMC database within an L₂ error norm of 3% for Couette flows and 7% for Poiseuille flows. However, the errors in the model predictions outside the database are up to five times larger. Copyright © 2005 John Wiley & Sons, Ltd.     

Effect of collision‐partner selection schemes on the accuracy and efficiency of the direct simulation Monte Carlo method

The effect of the collision‐partner selection scheme on the accuracy and the efficiency of the Direct Simulation Monte Carlo method is investigated. Several schemes that reduce the mean collision separation, including the fixed sub‐cell scheme, the transient adaptive sub‐cell scheme, and the virtual sub‐cell scheme, are evaluated. Additionally, a new scheme is proposed that limits the population from which collision partners are selected based on the distance traveled by a simulator and performs near‐neighbor collisions using this population. These collision‐partner selection schemes are assessed for Fourier flow (heat conduction between parallel plates) and a standard hypersonic benchmark problem (Mach 15.6 nitrogen flow over a 25–55° biconic). The new limited‐selection near‐neighbor scheme has superior performance compared to the other schemes for both flows and reduces both the spatial and temporal discretization errors relative to random‐selection and nearest‐neighbor collision‐partner selection schemes. Copyright © 2010 John Wiley & Sons, Ltd.     

等壁温加热微通道内气体流动换热特性的直接蒙特卡罗模拟

用直接模拟蒙特卡罗方法对压力边界条件下气体在微通道内的流动换热特性进行了研究,给出了壁面与来流存在温差时的沿程速度分布特点,以及在可压缩性与换热条件综合作用下的温度分布特点。研究结果表明:微通道内气体可压缩性作用显著,温度分布由可压缩性和换热强度的相对强弱综合决定;壁面与来流存在温差时气体沿程速度分布型线在入口段内上凸;壁温高于来流温度时,气流速度与等温流动工况下的速度的相对大小与气体稀薄性有关。     

Gas-jet synthesis of diamond-like films from an H2 + CH4 gas mixture glow

Synthesis of diamond-like coatings from a high-velocity flow of gas mixtures in flow regimes from free-molecular to continuum with flow velocities from hundreds to thousands meters per second at different specific flow rates and temperatures in the case of activation of gases on hot surfaces is studied experimentally. Deposition of carbon films at low (less than 0.15 Pa) and high (2600 Pa) pressures from a mixture of hydrogen and methane is considered. The hydrogen flow is computed by the Direct Simulation Monte Carlo (DSMC) method in accordance with test conditions with given surface temperatures and chemical transformations on the surfaces. It is found that coatings obtained at the high pressure contain particles typical for diamonds and unusual inclusions shaped as prisms with a hexagonal cross section.     

Monte Carlo analysis of dissociation and recombination behind strong shock waves in nitrogen

Computations are presented for the relaxation zone behind strong, one-dimensional shock waves in nitrogen. The analysis is performed with the direct simulation Monte Carlo method (DSMC). The DSMC code is vectorized for efficient use on a supercomputer. The code simulates translational, rotational and vibrational energy exchange and dissociative and recombinative chemical reactions. A new model is proposed for the treatment of three body recombination collisions in the DSMC technique which usually simulates binary collision events. The new model represents improvement over previous models in that it can be employed with a large range of chemical rate data, does not introduce into the flow field troublesome pairs of atoms which may recombine upon further collision (pseudo-particles) and is compatible with the vectorized code. The computational results are compared with existing experimental data. It is shown that the derivation of chemical rate coefficients must account for the degree of vibrational nonequilibrium in the flow. A nonequilibrium chemistry model is employed together with equilibrium rate data to compute successfully the flow in several different nitrogen shock waves.This article was processed using Springer-Verlag T_EX Shock Waves macro package 1990.     

Variance‐reduced Monte Carlo solutions of the Boltzmann equation for low‐speed gas flows: A discontinuous Galerkin formulation

We present and discuss an efficient, high‐order numerical solution method for solving the Boltzmann equation for low‐speed dilute gas flows. The method's major ingredient is a new Monte Carlo technique for evaluating the weak form of the collision integral necessary for the discontinuous Galerkin formulation used here. The Monte Carlo technique extends the variance reduction ideas first presented in Baker and Hadjiconstantinou (Phys. Fluids 2005; 17 , art. no. 051703) and makes evaluation of the weak form of the collision integral not only tractable but also very efficient. The variance reduction, achieved by evaluating only the deviation from equilibrium, results in very low statistical uncertainty and the ability to capture arbitrarily small deviations from equilibrium (e.g. low‐flow speed) at a computational cost that is independent of the magnitude of this deviation. As a result, for low‐signal flows the proposed method holds a significant computational advantage compared with traditional particle methods such as direct simulation Monte Carlo (DSMC). Copyright © 2008 John Wiley & Sons, Ltd.     

三维复杂流场内能激发松弛的DSMC数值模拟

本文研究了带内能激发松弛和不同来流条件下的复杂外形高超声速飞行器过渡区三维流场特性.采用一种对飞行器物面网格与DSMC计算域网格分别标识的方法,通过判断模拟分子与表面碰撞来完成飞行器物面网格与DSMC计算域网格间的信息传递和信息存贮,对于复杂外形飞行器精确描述的物面网格不需做进一步处理,直接应用于不依赖于飞行器外形的DSMC计算的通用子程序中.采用L-B碰撞模型,分析了内能激发松弛的流场参数特性,从分子碰撞、分子与飞行器表面碰撞的角度,分析了不同来流条件下的流场参数的变化情况.     

Simulations for gas flows in microgeometries using the direct simulation Monte Carlo method

Micro gas flows are often encountered in MEMS devices and classical CFD could not accurately predict the flow and thermal behavior due to the high Knudsen number. Therefore, the gas flow in microgeometries was investigated using the direct simulation Monte Carlo (DSMC) method. New treatments for boundary conditions are verified by simulations of micro-Poiseuille flow, compared with the previous boundary treatments, and slip analytical solutions of the continuum theory. The orifice flow and the corner flow in microchannels are simulated using the modified DSMC codes. The predictions were compared with existing experimental phenomena as well as predictions using continuum theory. The results showed that the channel geometry significantly affects the microgas flow. In the orifice flow, the flow separation occurred at very small Reynolds numbers. In the corner flow, no flow separation occurred even with a high driving pressure. The DSMC results agreed well with existing experimental information.     

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.     

考虑颗粒碰撞的多重Monte Carlo算法

从减少计算代价和改进碰撞算法出发, 提出了考虑颗粒碰撞的多重Monte Carlo算法, 它采用直接模拟Monte Carlo算法来考虑颗粒碰撞, 并与求解颗粒拉氏Langevin方程的Monte Carlo算法耦合起来, 跟踪比实际颗粒数目小得多的虚拟颗粒. 提出了时间步长选定标准、虚拟碰撞伙伴所在控制容积的判断准则、颗粒碰撞发生的判 断准则、虚拟碰撞伙伴的选择、基于随机碰撞角度的碰撞动力学, 构成了考虑颗粒碰撞的完整多重Monte Carlo算法. 对理想工况的细微颗粒流和粗重颗粒流进行了数值模拟, 颗粒碰撞率的模拟结果与理论分析解和DNS结果均符合很好, 颗粒场演变的细节信息, 如时间平均和特定时刻的颗粒数密度, 速度和颗粒湍动能等, 均与DNS结果符合很好. 数值模拟结果证明该算法不仅具有较低的计算代价, 而且能够达到足够的计算精度.     

Numerical experiments on the gas flow between eccentric rotating cylinders

A numerical experiment was carried out on the gas flow field between two eccentric cylinders, one of which is rotating. Attention was paid to the presence of separated recirculating regions from the continuum to the rarefied regimes. The direct simulations were performed by means of a Monte Carlo (DSMC) method and bi‐polar co‐ordinates were adopted. The calculations were relative to isothermal walls at the same temperature. Streamlines and velocity profiles were evaluated as functions of the Knudsen number, of the Mach number and of the geometric parameters. The gas considered was argon. Copyright © 2000 John Wiley & Sons, Ltd.     

Numerical solution of the Boltzmann equation by time relaxed Monte Carlo (TRMC) methods

A new family of Monte Carlo schemes has been recently introduced for the numerical solution of the Boltzmann equation of rarefied gas dynamics (SIAM J. Sci. Comput. 2001; 23 :1253–1273). After a splitting of the equation the time discretization of the collision step is obtained from the Wild sum expansion of the solution by replacing high‐order terms in the expansion with the equilibrium Maxwellian distribution. The corresponding time relaxed Monte Carlo (TRMC) schemes allow the use of time steps larger than those required by direct simulation Monte Carlo (DSMC) and guarantee consistency in the fluid‐limit with the compressible Euler equations. Conservation of mass, momentum, and energy are also preserved by the schemes. Applications to a two‐dimensional gas dynamic flow around an obstacle are presented which show the improvement in terms of computational efficiency of TRMC schemes over standard DSMC for regimes close to the fluid‐limit. Copyright © 2005 John Wiley & Sons, Ltd.     

Comparison of kinetic and continuum approaches for simulation of shock wave/boundary layer interaction

The present paper, which is a collaboration between three different research groups, analyzes the efficiency of various numerical approaches to describe the complex problem of shock wave/boundary layer interaction. Computations were carried out based on a kinetic approach (Direct Simulation Monte Carlo method) and on two continuum approaches (Navier-Stokes equations and quasigasdynamic equations), which are validated by comparison with experimental results obtained in the R5Ch blowdown Hypersonic Wind Tunnel in ONERA. The influence of the slip boundary conditions for two continuum approaches are also studied. The results obtained by all models display the good prediction of the main structure of the flow and the levels of the flux coefficients are very close to those measured. The implementation of the slip boundary condition for the continuum approaches improves the agreement with the experimental data. Received 12 July 2001 / Accepted 24 May 2002 /Published online 4 December 2002 Correspondence to: D. Zeitoun (e-mail: David.Zeitoun@polytech.univ-mrs.fr) An abridged version of this paper was presented at the 23rd Int. Symposium on Shock Waves at Fort Worth, Texas, from July 22 to 27, 2001