基于Voronoi网格的扩散方程差分格式

在Voronoi网格上利用一种基于回路积分法的有限体积法构造扩散方程的的差分格式.在这种特殊的网格上离散扩散方程比通常在四边形网格上离散的格式要简单,不会引进角点未知量,提高了对网格边上的流的离散精度,及差分格式整体精度.这种Voronoi网格上的扩散计算也可以与单元中心流体力学计算耦合.数值算例表明这种格式比四边形网格上的格式精度高,且能更好的应对网格扭曲情形.     

扩散方程的有限方向差分方法

研究二维散乱点集上数值求解非线性扩散方程的有限方向差分方法。利用五个邻点信息构造具有最小模板的离散格式,并且离散系数具有显式表达式。另外,利用五点公式获得了间断问题物质界面的离散格式,该格式对界面流的计算具有近似二阶精度。不同计算区域及不同类型的离散点集上的计算结果验证了方法的有效性。     

Compact finite volume schemes on boundary-fitted grids

The paper focuses on the development of a framework for high-order compact finite volume discretization of the three-dimensional scalar advection–diffusion equation. In order to deal with irregular domains, a coordinate transformation is applied between a curvilinear, non-orthogonal grid in the physical space and the computational space. Advective fluxes are computed by the fifth-order upwind scheme introduced by Pirozzoli [S. Pirozzoli, Conservative hybrid compact-WENO schemes for shock–turbulence interaction, J. Comp. Phys. 178 (2002) 81] while the Coupled Derivative scheme [M.H. Kobayashi, On a class of Padé finite volume methods, J. Comp. Phys. 156 (1999) 137] is used for the discretization of the diffusive fluxes.Numerical tests include unsteady diffusion over a distorted grid, linear free-surface gravity waves in a irregular domain and the advection of a scalar field. The proposed methodology attains high-order formal accuracy and shows very favorable resolution characteristics for the simulation of problems with a wide range of length scales.     

间断有限元方法求解一维非平衡辐射扩散方程

研究一维非平衡辐射扩散方程的数值方法.通过求解间断系数热传导方程的广义黎曼问题,得到一种带加权数值流量,基于该数值流量构造了一类新型的间断有限元方法.在时间离散上采用向后Euler方法,形成的非线性方程组采用Picard迭代求解.数值试验表明该方法具有捕捉大梯度的能力,而且能适应扩散系数间断的情形.     

隐-显积分因子间断Galerkin方法求解二维辐射扩散方程

提出一种求解二维非平衡辐射扩散方程的数值方法.空间离散上采用加权间断Galerkin有限元方法,其中数值流量的构造采用一种新的加权平均;时间离散上采用隐-显积分因子方法,将扩散系数线性化,然后用积分因子方法求解间断Galerkin方法离散后的非线性常微分方程组.数值试验中在非结构网格上求解了多介质的辐射扩散方程.结果表明:对于强非线性和强耦合的非线性扩散方程组,该方法是一种非常有效的数值算法.     

An Inverse Source Problem with Sparsity Constraint for the Time-Fractional Diffusion Equation

In this paper, an inverse source problem for the time-fractional diffusion equation is investigated. The observational data is on the final time and the source term is assumed to be temporally independent and with a sparse structure. Here the sparsity is understood with respect to the pixel basis, i.e., the source has a small support. By an elastic-net regularization method, this inverse source problem is formulated into an optimization problem and a semismooth Newton (SSN) algorithm is developed to solve it. A discretization strategy is applied in the numerical realization. Several one- and two- dimensional numerical examples illustrate the efficiency of the proposed method.     

Diffusion and the physics of chemoreception

This review provides a manual which enables the reader to perform calculations on the rate with which a biological cell can capture certain chemical compounds (ligands) which are essential to its survival and which diffuse in its environment. After a discussion of spatial diffusion and the capture of ligands by a single receptor in the cell membrane, the theory of one-stage chemoreception is developed for the general case in which the cell is spherical and arbitrary forces act between the ligand and the cell. Our method can also be applied to cells with other shapes. Next we discuss membrane diffusion and develop a theory of two-stage chemoreception. Some hydrodynamic effects are also discussed.     

Mass conservative finite volume discretization of the continuity equations in multi-component mixtures

The Stefan–Maxwell equations for multi-component diffusion result in a system of coupled continuity equations for all species in the mixture. We use a generalization of the exponential scheme to discretize this system of continuity equations with the finite volume method. The system of continuity equations in this work is obtained from a non-singular formulation of the Stefan–Maxwell equations, where the mass constraint is not applied explicitly. Instead, all mass fractions are treated as independent unknowns and the constraint is a result of the continuity equations, the boundary conditions, the diffusion algorithm and the discretization scheme. We prove that with the generalized exponential scheme, the mass constraint can be satisfied exactly, although it is not explicitly applied. A test model from the literature is used to verify the correct behavior of the scheme.     

On choosing a nonlinear initial iterate for solving the 2-D 3-T heat conduction equations

The 2-D 3-T heat conduction equations can be used to approximately describe the energy broadcast in materials and the energy swapping between electron and photon or ion. To solve the equations, a fully implicit finite volume scheme is often used as the discretization method. Because the energy diffusion and swapping coefficients have a strongly nonlinear dependence on the temperature, and some physical parameters are discontinuous across the interfaces between the materials, it is a challenge to solve the discretized nonlinear algebraic equations. Particularly, as time advances, the temperature varies so greatly in the front of energy that it is difficult to choose an effective initial iterate when the nonlinear algebraic equations are solved by an iterative method. In this paper, a method of choosing a nonlinear initial iterate is proposed for iterative solving this kind of nonlinear algebraic equations. Numerical results show the proposed initial iterate can improve the computational efficiency, and also the convergence behavior of the nonlinear iteration.     

Solution of Time-Dependent Diffusion Equations with Variable Coefficients Using Multiwavelets

A new numerical algorithm is developed for the solution of time-dependent differential equations of diffusion type. It allows for an accurate and efficient treatment of multidimensional problems with variable coefficients, nonlinearities, and general boundary conditions. For space discretization we use the multiwavelet bases introduced by Alpert (1993,SIAM J. Math. Anal.24, 246–262), and then applied to the representation of differential operators and functions of operators presented by Alpert, Beylkin, and Vozovoi (Representation of operators in the multiwavelet basis, in preparation). An important advantage of multiwavelet basis functions is the fact that they are supported only on non-overlapping subdomains. Thus multiwavelet bases are attractive for solving problems in finite (non periodic) domains. Boundary conditions are imposed with a penalty technique of Hesthaven and Gottlieb (1996,SIAM J. Sci. Comput., 579–612) which can be used to impose rather general boundary conditions. The penalty approach was extended to a procedure for ensuring the continuity of the solution and its first derivative across interior boundaries between neighboring subdomains while time stepping the solution of a time dependent problem. This penalty procedure on the interfaces allows for a simplification and sparsification of the representation of differential operators by discarding the elements responsible for interactions between neighboring subdomains. Consequently the matrices representing the differential operators (on the finest scale) have block-diagonal structure. For a fixed order of multiwavelets (i.e., a fixed number of vanishing moments) the computational complexity of the present algorithm is proportional to the number of subdomains. The time discretization method of Beylkin, Keiser, and Vozovoi (1998, PAM Report 347) is used in view of its favorable stability properties. Numerical results are presented for evolution equations with variable coefficients in one and two dimensions.     

Effect of gas diffusion layer and membrane properties in an annular proton exchange membrane fuel cell

A complete three-dimensional and single phase computational dynamics model for annular proton exchange membrane (PEM) fuel cell is used to investigate the effect of changing gas diffusion layer and membrane properties on the performances, current density and gas concentration. The proposed model is a full cell model, which includes all the parts of the PEM fuel cell, flow channels, gas diffusion electrodes, catalyst layers and the membrane. Coupled transport and electrochemical kinetics equations are solved in a single domain; therefore no interfacial boundary condition is required at the internal boundaries between cell components. This computational fluid dynamics code is used as the direct problem solver, which is used to simulate the two-dimensional mass, momentum and species transport phenomena as well as the electron- and proton-transfer process taking place in a PEMFC that cannot be investigated experimentally. The results show that by increasing the thickness and decreasing the porosity of GDL the performance of the cell enhances that it is different with planner PEM fuel cell. Also the results show that by decreasing the thickness of the membrane the performance of the cell increases.     

Finite Difference/Element Method for a Two-Dimensional Modified Fractional Diffusion Equation

We present the finite difference/element method for a two-dimensional modified fractional diffusion equation. The analysis is carried out first for the time semi-discrete scheme, and then for the full discrete scheme. The time discretization is based on the $L1$-approximation for the fractional derivative terms and the second-order backward differentiation formula for the classical first order derivative term. We use finite element method for the spatial approximation in full discrete scheme. We show that both the semi-discrete and full discrete schemes are unconditionally stable and convergent. Moreover, the optimal convergence rate is obtained. Finally, some numerical examples are tested in the case of one and two space dimensions and the numerical results confirm our theoretical analysis.     

加权ENO格式的构造及数值模拟

将加权ENO格式推广到非结构三角形网格上,构造了一类加权ENO有限体积格式,提出的插值多项式的构造方式,可以减少计算时间.对于出现的病态方程组,给出了解决方法.此外还给出了插值点的选取方式及加权因子的构造方法.结合三阶TVD Runge Kutta时间离散,对二维欧拉方程组进行了数值试验.     

二维Lagrangian坐标系下可压气动方程组的间断Petrov-Galerkin方法

构造矩形网格下求解Lagrangian坐标系下气动方程组的单元中心型格式. 空间离散采用控制体积间断Petrov-Galerkin方法,时间离散采用二阶TVD Runge-Kutta方法. 利用限制器来抑制非物理震荡并保证RKCV算法的稳定性. 构造的算法可以保证物理量的局部守恒. 与Runge-Kutta间断Galerkin（RKDG）方法相比较,RKCV方法的计算公式少一项积分项使得计算较简单. 给出一些数值算例验证了算法的可靠性及效率.     

Artificial compressibility, characteristics-based schemes for variable-density, incompressible, multispecies flows: Part II. Multigrid implementation and numerical tests

The paper presents an investigation of the accuracy and efficiency of artificial compressibility, characteristics-based (CB) schemes for variable-density incompressible flows. The CB schemes have been implemented in conjunction with a multigrid method for accelerating numerical convergence and a fourth-order, explicit Runge–Kutta method for the integration of the governing equations in time. The implementation of the CB schemes is obtained in conjunction with first-, second- and third-order interpolation formulas for calculating the variables at the cell faces of the computational volume. The accuracy and efficiency of the schemes are examined against analytical and experimental results for diffusion broadening in two- and three-dimensional microfluidic channels, a problem that has motivated the development of the present methods. Moreover, unsteady, inviscid simulations have been performed for variable-density mixing layer. The computations revealed that accuracy and efficiency depend on the CB scheme design. The best multigrid convergence rates were exhibited by the conservative CB scheme, which is obtained by the fully conservative formulation of the variable-density, incompressible equations.     

二维扩散方程的局部二阶线性保极值节点计算方法及应用

对一般四边形网格设计一种优化的节点控制体, 并构造了一种扩散方程的保极值二阶收敛的局部线性节点计算格式(优化控制体节点格式, VOC格式)。在网格不出现异常节点的情况下, 证明VOC格式是保极值、线性精确和二阶收敛的。而且在均匀的矩形网格上, 修正的逆距离加权格式与VOC格式等价, 从而对间断系数问题也是局部二阶收敛的。VOC格式可以用于单元中心型线性扩散格式和保正格式的节点值计算。数值算例表明对扭曲网格上的间断系数问题, VOC格式是二阶收敛的。采用VOC格式计算节点值的线性九点格式具有线性精确性和二阶收敛性, 采用VOC格式的保正格式也具有二阶收敛性。     

多维梯度折射率介质内辐射传递的扩散近似

推导多维梯度折射率介质内稳态辐射传递的扩散近似方程.使用有限元法对扩散近似进行离散和求解,利用两个二维半透明介质的稳态辐射传递问题验证该扩散近似的精度及适用性.算例考虑介质为均匀折射率及梯度折射率两种情况.利用扩散近似分别求解辐射平衡时的边界热流、介质内温度场分布,并与辐射传递方程的求解结果进行对比分析.结果表明:介质折射率变化、散射特性、光学厚度及散射反照率均直接影响扩散近似的精度;在光学厚及强散射条件下,该扩散近似可以作为一种快速算法应用于梯度折射率介质稳态辐射传递的求解.     

Multi-dimensional limiting for high-order schemes including turbulence and combustion

In the present paper a fourth/fifth order upwind biased limiting strategy is presented for the simulation of turbulent flows and combustion. Because high order numerical schemes usually suffer from stability problems and TVD approaches often prevent convergence to machine accuracy the multi-dimensional limiting process (MLP) [1] is employed. MLP uses information from diagonal volumes of a discretization stencil. It interacts with the TVD limiter in such a way, that local extrema at the corner points of the volume are avoided. This stabilizes the numerical scheme and enables convergence in cases, where standard limiters fail to converge. Up to now MLP has been used for inviscid and laminar flows only. In the present paper this technique is applied to fully turbulent sub- and supersonic flows simulated with a low Reynolds-number turbulence closure. Additionally, combustion based on finite-rate chemistry is investigated. An improved MLP version (MLP^ld, low diffusion) as well as an analysis of its capabilities and limitations are given. It is demonstrated, that the scheme offers high accuracy and robustness while keeping the computational cost low. Both steady and unsteady test cases are investigated.     

适应强扭曲网格的扩散方程时空二阶精度计算

以全局支撑算子方法为基础,通过引入面通量,构造了具有局部模板点的时空二阶精度格式。对于大变形扭曲网格,格式采用法向修正技术和合理的单元角体积计算方法,可以保持通量的精确性。算例表明该格式在非凸网格上能够精确获得线性解; 在非光滑网格上可以达到时空二阶精度; 能够较好地保持对称性; 并适合于三维非结构网格上的求解。     

Coherent Vortex Simulation of weakly compressible turbulent mixing layers using adaptive multiresolution methods

An adaptive mulitresolution method based on a second-order finite volume discretization is presented for solving the three-dimensional compressible Navier–Stokes equations in Cartesian geometry. The explicit time discretization is of second-order and for flux evaluation a 2–4 Mac Cormack scheme is used. Coherent Vortex Simulations (CVS) are performed by decomposing the flow variables into coherent and incoherent contributions. The coherent part is computed deterministically on a locally refined grid using the adaptive multiresolution method while the influence of the incoherent part is neglected to model turbulent dissipation. The computational efficiency of this approach in terms of memory and CPU time compression is illustrated for turbulent mixing layers in the weakly compressible regime and for Reynolds numbers based on the mixing layer thickness between 50 and 200. Comparisons with direct numerical simulations allow to assess the precision and efficiency of CVS.