An improved high-order scheme for DNS of low Mach number turbulent reacting flows based on stiff chemistry solver

We present an improved numerical scheme for numerical simulations of low Mach number turbulent reacting flows with detailed chemistry and transport. The method is based on a semi-implicit operator-splitting scheme with a stiff solver for integration of the chemical kinetic rates, developed by Knio et al. [O.M. Knio, H.N. Najm, P.S. Wyckoff, A semi-implicit numerical scheme for reacting flow II. Stiff, operator-split formulation, Journal of Computational Physics 154 (2) (1999) 428–467]. Using the material derivative form of continuity equation, we enhance the scheme to allow for large density ratio in the flow field. The scheme is developed for direct numerical simulation of turbulent reacting flow by employing high-order discretization for the spatial terms. The accuracy of the scheme in space and time is verified by examining the grid/time-step dependency on one-dimensional benchmark cases: a freely propagating premixed flame in an open environment and in an enclosure related to spark-ignition engines. The scheme is then examined in simulations of a two-dimensional laminar flame/vortex-pair interaction. Furthermore, we apply the scheme to direct numerical simulation of a homogeneous charge compression ignition (HCCI) process in an enclosure studied previously in the literature. Satisfactory agreement is found in terms of the overall ignition behavior, local reaction zone structures and statistical quantities. Finally, the scheme is used to study the development of intrinsic flame instabilities in a lean H₂/air premixed flame, where it is shown that the spatial and temporary accuracies of numerical schemes can have great impact on the prediction of the sensitive nonlinear evolution process of flame instability.     

Multigrid method based on the transformation-free HOC scheme on nonuniform grids for 2D convection diffusion problems

In this paper, a multigrid method based on the high order compact (HOC) difference scheme on nonuniform grids, which has been proposed by Kalita et al. [J.C. Kalita, A.K. Dass, D.C. Dalal, A transformation-free HOC scheme for steady convection–diffusion on non-uniform grids, Int. J. Numer. Methods Fluids 44 (2004) 33–53], is proposed to solve the two-dimensional (2D) convection diffusion equation. The HOC scheme is not involved in any grid transformation to map the nonuniform grids to uniform grids, consequently, the multigrid method is brand-new for solving the discrete system arising from the difference equation on nonuniform grids. The corresponding multigrid projection and interpolation operators are constructed by the area ratio. Some boundary layer and local singularity problems are used to demonstrate the superiority of the present method. Numerical results show that the multigrid method with the HOC scheme on nonuniform grids almost gets as equally efficient convergence rate as on uniform grids and the computed solution on nonuniform grids retains fourth order accuracy while on uniform grids just gets very poor solution for very steep boundary layer or high local singularity problems. The present method is also applied to solve the 2D incompressible Navier–Stokes equations using the stream function–vorticity formulation and the numerical solutions of the lid-driven cavity flow problem are obtained and compared with solutions available in the literature.     

Positive Numerical Integration Methods for Chemical Kinetic Systems

Chemical kinetics conserves mass and renders nonnegative solutions; a good numerical simulation would ideally produce mass-balanced, positive concentration vectors. Many time-stepping methods are mass conservative; however, unconditional positivity restricts the order of a traditional method to one. The projection method presented in this paper ensures mass conservation and positivity. First, a numerical approximation is computed with one step of a mass-preserving traditional scheme. If there are negative components, the nearest vector in the reaction simplex is found by solving a quadratic optimization problem; this vector is shown to better approximate the true solution. A simpler version involves just one projection step and stabilizes the reaction simplex. This technique works best when the underlying time-stepping scheme favors positivity. Projected methods are more accurate than clipping and allow larger time steps for kinetic systems which are unstable outside the positive quadrant.     

A deferred correction coupling strategy for low Mach number flow with complex chemistry

We present a new thermodynamic coupling strategy for complex reacting flow in a low Mach number framework. In such flows, the advection, diffusion and reaction processes span a broad range of time scales. In order to reduce splitting errors inherent in Strang splitting approaches, we couple the processes with a multi-implicit spectral deferred correction strategy. Our iterative scheme uses a series of relatively simple correction equations to reduce the error in the solution. The new method retains the efficiencies of Strang splitting compared to a traditional method-of-lines approach in that each process is discretised sequentially using a numerical method well suited for its particular time scale. We demonstrate that the overall scheme is second-order accurate and provides increased accuracy with less computational work compared to Strang splitting for terrestrial and astrophysical flames. The overall framework also sets the stage for higher-order coupling strategies.     

奇异退化扩散反应方程的高阶紧致差分及网格自适应方法

利用余项修正法建立奇异退化扩散反应方程非均匀网格上的高阶紧致差分式,其时间具有二阶精度,空间具有三阶至四阶精度. 利用等分布原理建立时间和空间的网格自适应方法.最后通过具有精确解的数值算例验证方法的可靠性和精确性,并研究一维爆破问题.     

Failsafe flux limiting and constrained data projections for equations of gas dynamics

A new approach to flux limiting for systems of conservation laws is presented. The Galerkin finite element discretization/L² projection is equipped with a failsafe mechanism that prevents the birth and growth of spurious local extrema. Within the framework of a synchronized flux-corrected transport (FCT) algorithm, the velocity and pressure fields are constrained using node-by-node transformations from the conservative to the primitive variables. An additional correction step is included to ensure that all the quantities of interest (density, velocity, pressure) are bounded by the physically admissible low-order values. The result is a conservative and bounded scheme with low numerical diffusion. The new failsafe FCT limiter is integrated into a high-resolution finite element scheme for the Euler equations of gas dynamics. Also, bounded L² projection operators for conservative interpolation/initialization are designed. The performance of the proposed limiting strategy and the need for a posteriori control of flux-corrected solutions are illustrated by numerical examples.     

三维定常问题的高阶紧致差分格式向非定常问题的推广

将已经建立的求解三维定常对流扩散方程的高阶紧致差分格式直接推广到三维非定常对流扩散方程的数值求解,时间导数项利用二阶向后欧拉差分公式,所得到的高阶隐式紧致差分格式时间为二阶精度,空间为四阶精度,并且是无条件稳定的.数值实验结果验证了本文方法的精确性和稳健性.     

非结构网格下非定常流场双时间步长的加权ENO-强紧致杂交高分辨率格式

针对三维非定常、可压缩流场的Navier-Stokes方程组,本文提出一种新的双时间步长高精度快速迭代格式。该格式在时间上具有二阶精度,在空间离散上不低于三阶。在对流项与粘性项的处理上,本格式分别采用了加权ENO-强紧致格式与紧致四阶精度格式的思想。几个典型算例的实践表明:计算结果与相关实验数据比较吻合,初步表明了该算法可以在非结构网格下具有高效率与高分辨率的特征。     

On Implementation of Boundary Conditions in the Application of Finite Volume Lattice Boltzmann Method

A new implementation of boundary condition based on the half-covolume and bounce-back rule for the non-equilibrium distribution function for the finite volume LBM is proposed here. The numerical simulation results for the expansion channel flow and driven cavity problem indicate that this method is workable for arbitrary meshes. In addition, the fourth order Runge–Kutta scheme is found to be a practical way in the LBM to accelerate the calculation speed.     

High-order algorithms for compressible reacting flow with complex chemistry

In this paper we describe a numerical algorithm for integrating the multicomponent, reacting, compressible Navier–Stokes equations, targeted for direct numerical simulation of combustion phenomena. The algorithm addresses two shortcomings of previous methods. First, it incorporates an eighth-order narrow stencil approximation of diffusive terms that reduces the communication compared to existing methods and removes the need to use a filtering algorithm to remove Nyquist frequency oscillations that are not damped with traditional approaches. The methodology also incorporates a multirate temporal integration strategy that provides an efficient mechanism for treating chemical mechanisms that are stiff relative to fluid dynamical time-scales. The overall methodology is eighth order in space with options for fourth order to eighth order in time. The implementation uses a hybrid programming model designed for effective utilisation of many-core architectures. We present numerical results demonstrating the convergence properties of the algorithm with realistic chemical kinetics and illustrating its performance characteristics. We also present a validation example showing that the algorithm matches detailed results obtained with an established low Mach number solver.     

Computation of multiphase systems with phase field models

Phase field models offer a systematic physical approach for investigating complex multiphase systems behaviors such as near-critical interfacial phenomena, phase separation under shear, and microstructure evolution during solidification. However, because interfaces are replaced by thin transition regions (diffuse interfaces), phase field simulations require resolution of very thin layers to capture the physics of the problems studied. This demands robust numerical methods that can efficiently achieve high resolution and accuracy, especially in three dimensions. We present here an accurate and efficient numerical method to solve the coupled Cahn–Hilliard/Navier–Stokes system, known as Model H, that constitutes a phase field model for density-matched binary fluids with variable mobility and viscosity. The numerical method is a time-split scheme that combines a novel semi-implicit discretization for the convective Cahn–Hilliard equation with an innovative application of high-resolution schemes employed for direct numerical simulations of turbulence. This new semi-implicit discretization is simple but effective since it removes the stability constraint due to the nonlinearity of the Cahn–Hilliard equation at the same cost as that of an explicit scheme. It is derived from a discretization used for diffusive problems that we further enhance to efficiently solve flow problems with variable mobility and viscosity. Moreover, we solve the Navier–Stokes equations with a robust time-discretization of the projection method that guarantees better stability properties than those for Crank–Nicolson-based projection methods. For channel geometries, the method uses a spectral discretization in the streamwise and spanwise directions and a combination of spectral and high order compact finite difference discretizations in the wall normal direction. The capabilities of the method are demonstrated with several examples including phase separation with, and without, shear in two and three dimensions. The method effectively resolves interfacial layers of as few as three mesh points. The numerical examples show agreement with analytical solutions and scaling laws, where available, and the 3D simulations, in the presence of shear, reveal rich and complex structures, including strings.     

基于三粒子GHZ态的双向量子可控隐形传态

提出基于三粒子GHZ态的双向量子可控隐形传态方案.方案中,使用两个三粒子GHZ态作为量子通道.而根据在量子通道中发送者,接收者和控制者所拥有的粒子的不同以及所采用的测量基的不同,设计出了三方参与的双向可控量子隐形传态方案和四方参与的双向可控量子隐形传态方案.在方案中,Alice和Bob对所拥有的粒子做合适的投影测量,并将其测量结果通知对方和控制者.若控制者同意此次传态,则会对自己所拥有的粒子做投影测量,并将结果告知接收者.接收者根据发送者和控制者的测量信息,做出相对应的幺正操作来重建发送者的量子态.同时三方参与和四方参与的量子可控隐形传态方案提高了通信的安全性.     

Collocation Methods for Hyperbolic Partial Differential Equations with Singular Sources

A numerical study is given on the spectral methods and the high order WENO finite difference scheme for the solution of linear and nonlinear hyperbolic partial differential equations with stationary and non-stationary singular sources. The singular source term is represented by the $δ$-function. For the approximation of the $δ$-function, the direct projection method is used that was proposed in [6]. The $δ$-function is constructed in a consistent way to the derivative operator. Nonlinear sine-Gordon equation with a stationary singular source was solved with the Chebyshev collocation method. The $δ$-function with the spectral method is highly oscillatory but yields good results with small number of collocation points. The results are compared with those computed by the second order finite difference method. In modeling general hyperbolic equations with a non-stationary singular source, however, the solution of the linear scalar wave equation with the non-stationary singular source using the direct projection method yields non-physical oscillations for both the spectral method and the WENO scheme. The numerical artifacts arising when the non-stationary singular source term is considered on the discrete grids are explained.     

A conservative,thermodynamically consistent numerical approach for low Mach number combustion. Part I: Single-level integration

We present a numerical approach for low Mach number combustion that conserves both mass and energy while remaining on the equation of state to a desired tolerance. We present both unconfined and confined cases, where in the latter the ambient pressure changes over time. Our overall scheme is a projection method for the velocity coupled to a multi-implicit spectral deferred corrections (SDC) approach to integrate the mass and energy equations. The iterative nature of SDC methods allows us to incorporate a series of pressure discrepancy corrections naturally that lead to additional mass and energy influx/outflux in each finite volume cell in order to satisfy the equation of state. The method is second order, and satisfies the equation of state to a desired tolerance with increasing iterations. Motivated by experimental results, we test our algorithm on hydrogen flames with detailed kinetics. We examine the morphology of thermodiffusively unstable cylindrical premixed flames in high-pressure environments for confined and unconfined cases. We also demonstrate that our algorithm maintains the equation of state for premixed methane flames and non-premixed dimethyl ether jet flames.     

基于真实气体效应的湍流标度律特性

在量热完全气体、热完全气体和化学反应完全气体等3种气体模型假设下,利用Mach数为4.05、壁温为1 300 K的超声速槽道湍流的直接数值模拟（direct numerical simulation,DNS）结果,对标度律和自相似性做了详细分析.结果表明,不仅在量热完全气体模型下存在标度律和扩展自相似性,而且在热完全气体和化学反应完全气体模型下标度律和扩展自相似性仍然成立.压缩性的影响使得速度结构函数通过Favre平均获得更为合适.与热完全气体模型的结果相比,化学反应完全气体和量热完全气体模型的结果吻合更好.      

Analysis of speckle reduction based on theory of optical eigenfunction

The principle of optical eigenfunction is used in the analysis of speckle reduction in laser projection display.When the moving diffiuser is used in the speckle reduction approach,the speckle contrast is decided by both the degree of freedom (DOF) of the projector and the area of resolving cell of the eyes on the screen.It can gain high DOF of the projector by increasing the space-bandwidth product,i.e.,adopting a projection lens with a high numerical aperture or a large viewing field.The best scheme is equalizing the DOF of the scattering wave from a moving diffiuser to that of the projection lens.The experimental results are in accordance with the conclusion drawn by optical eigenfunction.     

Construction of low dissipative high-order well-balanced filter schemes for non-equilibrium flows

The goal of this paper is to generalize the well-balanced approach for non-equilibrium flow studied by Wang et al. (2009) [29] to a class of low dissipative high-order shock-capturing filter schemes and to explore more advantages of well-balanced schemes in reacting flows. More general 1D and 2D reacting flow models and new examples of shock turbulence interactions are provided to demonstrate the advantage of well-balanced schemes. The class of filter schemes developed by Yee et al. (1999) [33], Sjögreen and Yee (2004) [27] and Yee and Sjögreen (2007) [38] consist of two steps, a full time step of spatially high-order non-dissipative base scheme and an adaptive non-linear filter containing shock-capturing dissipation. A good property of the filter scheme is that the base scheme and the filter are stand-alone modules in designing. Therefore, the idea of designing a well-balanced filter scheme is straightforward, i.e. choosing a well-balanced base scheme with a well-balanced filter (both with high-order accuracy). A typical class of these schemes shown in this paper is the high-order central difference schemes/predictor–corrector (PC) schemes with a high-order well-balanced WENO filter. The new filter scheme with the well-balanced property will gather the features of both filter methods and well-balanced properties: it can preserve certain steady-state solutions exactly; it is able to capture small perturbations, e.g. turbulence fluctuations; and it adaptively controls numerical dissipation. Thus it shows high accuracy, efficiency and stability in shock/turbulence interactions. Numerical examples containing 1D and 2D smooth problems, 1D stationary contact discontinuity problem and 1D turbulence/shock interactions are included to verify the improved accuracy, in addition to the well-balanced behavior.     

Stable Galerkin reduced order models for linearized compressible flow

The Galerkin projection procedure for construction of reduced order models of compressible flow is examined as an alternative discretization of the governing differential equations. The numerical stability of Galerkin models is shown to depend on the choice of inner product for the projection. For the linearized Euler equations, a symmetry transformation leads to a stable formulation for the inner product. Boundary conditions for compressible flow that preserve stability of the reduced order model are constructed. Preservation of stability for the discrete implementation of the Galerkin projection is made possible using a piecewise-smooth finite element basis. Stability of the reduced order model using this approach is demonstrated on several model problems, where a suitable approximation basis is generated using proper orthogonal decomposition of a transient computational fluid dynamics simulation.     

3D-solitons in a strongly magnetized plasma: Transition from flat to spherical waves of the Zakharov-Kuznetsov equation

The Zakharov-Kuznetsov equation has been used to describe ion-acoustic wave propagation in a strong magnetic plasma. An initial-value problem has been solved for this equation on the basis of a numerical method that uses the fast Fourier transform technique for calculating space derivatives and a fourth order Runge-Kutta method for the time scheme. Numerical simulations have shown that the disturbed flat solitary waves can break up into spherical ones.     

An efficient method for the incompressible Navier–Stokes equations on irregular domains with no-slip boundary conditions,high order up to the boundary

Common efficient schemes for the incompressible Navier–Stokes equations, such as projection or fractional step methods, have limited temporal accuracy as a result of matrix splitting errors, or introduce errors near the domain boundaries (which destroy uniform convergence to the solution). In this paper we recast the incompressible (constant density) Navier–Stokes equations (with the velocity prescribed at the boundary) as an equivalent system, for the primary variables velocity and pressure. equation for the pressure. The key difference from the usual approaches occurs at the boundaries, where we use boundary conditions that unequivocally allow the pressure to be recovered from knowledge of the velocity at any fixed time. This avoids the common difficulty of an, apparently, over-determined Poisson problem. Since in this alternative formulation the pressure can be accurately and efficiently recovered from the velocity, the recast equations are ideal for numerical marching methods. The new system can be discretized using a variety of methods, including semi-implicit treatments of viscosity, and in principle to any desired order of accuracy. In this work we illustrate the approach with a 2-D second order finite difference scheme on a Cartesian grid, and devise an algorithm to solve the equations on domains with curved (non-conforming) boundaries, including a case with a non-trivial topology (a circular obstruction inside the domain). This algorithm achieves second order accuracy in the L^∞ norm, for both the velocity and the pressure. The scheme has a natural extension to 3-D.