反应、扩散化学动力学方程的有效解法

对扩散、化学反应或瞬态温度场问题，给出了具有4阶精度、自起步的隐式时间积分算法．算例显示，其精度和稳定性都好于四阶Runge-Kutta法，并且保留了原系数矩阵的稀疏存储方式和稀疏矩阵的运算规则，使紧缩存储技术和减少计算时间有效的结合．以旋转填充床内的竞争串联反应为算例，表明该算法是有效的．     

Robust a Simulation for Shallow Flows with Friction on Rough Topography

In this paper, we propose a robust finite volume scheme to numerically solve the shallow water equations on complex rough topography. The major difficulty of this problem is introduced by the stiff friction force term and the wet/dry interface tracking. An analytical integration method is presented for the friction force term to remove the stiffness. In the vicinity of wet/dry interface, the numerical stability can be attained by introducing an empirical parameter, the water depth tolerance, as extensively adopted in literatures. We propose a problem independent formulation for this parameter, which provides a stable scheme and preserves the overall truncation error of $\mathbb{O}$∆$x^3$. The method is applied to solve problems with complex rough topography, coupled with $h$-adaptive mesh techniques to demonstrate its robustness and efficiency.     

Coupled fluid-solid thermal interaction modeling for efficient transient simulation of biphasic water-steam energy systems

This paper proposes a fluid-solid coupled finite element formulation for the transient simulation of water-steam energy systems with phase change due to boiling and condensation. As it is commonly assumed in the study of thermal systems, the transient effects considered are exclusively originated by heat transfer processes. A homogeneous mixture model is adopted for the analysis of biphasic flow, resulting in a nonlinear transient advection-diffusion-reaction energy equation and an integral form for mass conservation in the fluid, coupled to the linear transient heat conduction equation for the solid. The conservation equations are approximated applying a stabilized Petrov-Galerkin FEM formulation, providing a set of coupled nonlinear equations for mass and energy conservation. This numerical model, combined with experimental heat transfer coefficients, provides a comprehensive simulation tool for the coupled analysis of boiling and condensation processes. For the treatment of enthalpy discontinuities traveling with the flow, a novel explicit-implicit time integration method based on Crank-Nicolson scheme is proposed, analyzing its accuracy and stability properties. To reduce problem size and enhance numerical efficiency, a modal superposition method with balanced truncation is applied to the solid equations. Finally, different example problems are solved to demonstrate the capabilities, flexibility and accuracy of the proposed formulation.     

Vector extrapolation enhanced TSVD for linear discrete ill-posed problems

The truncated singular value decomposition (TSVD) is a popular solution method for small to moderately sized linear ill-posed problems. The truncation index can be thought of as a regularization parameter; its value affects the quality of the computed approximate solution. The choice of a suitable value of the truncation index generally is important, but can be difficult without auxiliary information about the problem being solved. This paper describes how vector extrapolation methods can be combined with TSVD, and illustrates that the determination of the proper value of the truncation index is less critical for the combined extrapolation-TSVD method than for TSVD alone. The numerical performance of the combined method suggests a new way to determine the truncation index. In memory of Gene H. Golub.     

Computational Discretization Algorithms for Functional Inequality Constrained Optimization

In this paper, a functional inequality constrained optimization problem is studied using a discretization method and an adaptive scheme. The problem is discretized by partitioning the interval of the independent parameter. Two methods are investigated as to how to treat the discretized optimization problem. The discretization problem is firstly converted into an optimization problem with a single nonsmooth equality constraint. Since the obtained equality constraint is nonsmooth and does not satisfy the usual constraint qualification condition, relaxation and smoothing techniques are used to approximate the equality constraint via a smooth inequality constraint. This leads to a sequence of approximate smooth optimization problems with one constraint. An adaptive scheme is incorporated into the method to facilitate the computation of the sum in the inequality constraint. The second method is to apply an adaptive scheme directly to the discretization problem. Thus a sequence of optimization problems with a small number of inequality constraints are obtained. Convergence analysis for both methods is established. Numerical examples show that each of the two proposed methods has its own advantages and disadvantages over the other.     

Modelling the attenuation of laminar fluid transients in piping systems

The damping of laminar fluid transients in piping systems is studied numerically using a two-dimensional water hammer model. The numerical scheme is based on the classical fourth order Runge–Kutta method for time integration and central difference expressions for the spatial terms. The results of the present method show that the damping of transients in piping systems is governed by a non-dimensional parameter representing the ratio of the Joukowsky pressure force to the viscous force. In terms of time scales, this non-dimensional parameter represents the ratio of the viscous diffusion time scale to the pipe period. For small values of this parameter, the damping of the fluid transient becomes more pronounced while for large values, the fluid transient is subjected to insignificant damping. Moreover, the non-dimensional parameter is shown to influence other important transient phenomena such as line packing, instantaneous wall shear stress values and the Richardson annular effect.     

动态问题速度有限元法

分析了N.M.Newmark和E.L.Wilson等按位移作变量逐步积分法的主要特点.提出以速度为变量求解动力学问题的速度元法.针对无阻尼系统,构造了一种简化格式,讨论了稳定性.由于该格式在无阻尼和拟静力阻尼情况下为显式,每个时刻,不求解代数方程组,其计算量与Newmark等方法比较,显著减少.对非线性动态问题,该计算格式可作为取得较好迭代初值的一个办法.文中,就任意阻尼系统,列出了速度元法的推广形式.相应非线性情况,提供了速度增量迭代格式并证明了收敛性.文末,附录了典型问题的数值检验结果.     

Transverse nonlinear dynamics of axially accelerating viscoelastic beams based on 4-term Galerkin truncation

This paper investigates bifurcation and chaos in transverse motion of axially accelerating viscoelastic beams. The Kelvin model is used to describe the viscoelastic property of the beam material, and the Lagrangian strain is used to account for geometric nonlinearity due to small but finite stretching of the beam. The transverse motion is governed by a nonlinear partial-differential equation. The Galerkin method is applied to truncate the partial-differential equation into a set of ordinary differential equations. When the Galerkin truncation is based on the eigenfunctions of a linear non-translating beam subjected to the same boundary constraints, a computation technique is proposed by regrouping nonlinear terms. The scheme can be easily implemented in practical computations. When the transport speed is assumed to be a constant mean speed with small harmonic variations, the Poincaré map is numerically calculated based on 4-term Galerkin truncation to identify dynamical behaviors. The bifurcation diagrams are present for varying one of the following parameter: the axial speed fluctuation amplitude, the mean axial speed and the beam viscosity coefficient, while other parameters are unchanged.     

A parametric symmetric linear four-step method for the efficient integration of the Schrödinger equation and related oscillatory problems

In this article, we develop an explicit symmetric linear phase-fitted four-step method with a free coefficient as parameter. The parameter is used for the optimization of the method in order to solve efficiently the Schrödinger equation and related oscillatory problems. We evaluate the local truncation error and the interval of periodicity as functions of the parameter. We reveal a direct relationship between the periodicity interval and the local truncation error. We also measure the efficiency of the new method for a wide range of possible values of the parameter and compare it to other well known methods from the literature. The analysis and the numerical results help us to determine the optimal values of the parameter, which render the new method highly efficient.     

On the locking phenomenon for a class of elliptic problems

Summary. In this paper we study the numerical behaviour of elliptic problems in which a small parameter is involved and an example concerning the computation of elastic arches is analyzed using this mathematical framework. At first, the statements of the problem and its Galerkin approximations are defined and an asymptotic analysis is performed. Then we give general conditions ensuring that a numerical scheme will converge uniformly with respect to the small parameter. Finally we study an example in computation of arches working in linear elasticity conditions. We build one finite element scheme giving a locking behaviour, and another one which does not. Revised version received October 25, 1993     

Parameter extension for combined hybrid finite element methods and application to plate bending problems

Based on a weighted average of the modified Hellinger-Reissner principle and its dual, the combined hybrid finite element (CHFE) method was originally proposed with a combination parameter limited in the interval (0, 1). In actual computation this parameter plays an important role in adjusting the energy error of discretization models. In this paper, a novel expression of the combined hybrid variational form is used to show the relationship between the resultant method and some Galerkin/least-squares stabilized finite scheme for plate bending problems. The choice of combination parameter is then extended to (−∞, 0) ? (0, 1). Existence, uniqueness and convergence of the solution of discrete schemes are proved, and the advantage of the parameter extension in computation is discussed. As an application, improvement of Adini’s rectangular element by the CHFE approach is performed.     

On the numerical solution of the Klein‐Gordon equation

A predictor–corrector (P–C) scheme based on the use of rational approximants of second‐order to the matrix‐exponential term in a three‐time level reccurence relation is applied to the nonlinear Klein‐Gordon equation. This scheme is accelerated by using a modification (MPC) in which the already evaluated values are used for the corrector. Both the predictor and the corrector scheme are analyzed for local truncation error and stability. The proposed method is applied to problems possessing periodic, kinks and single, double‐soliton waves. The accuracy as well as the long time behavior of the proposed scheme is discussed. © 2008 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq, 2009     

Extrapolation methods for fixed‐point multilinear PageRank computations

Nonnegative tensors arise very naturally in many applications that involve large and complex data flows. Due to the relatively small requirement in terms of memory storage and number of operations per step, the (shifted) higher order power method is one of the most commonly used technique for the computation of positive Z‐eigenvectors of this type of tensors. However, unlike the matrix case, the method may fail to converge even for irreducible tensors. Moreover, when it converges, its convergence rate can be very slow. These two drawbacks often make the computation of the eigenvectors demanding or unfeasible for large problems. In this work, we consider a particular class of nonnegative tensors associated with the multilinear PageRank modification of higher order Markov chains. Based on the simplified topological ε‐algorithm in its restarted form, we introduce an extrapolation‐based acceleration of power method type algorithms, namely, the shifted fixed‐point method and the inner‐outer method. The accelerated methods show remarkably better performance, with faster convergence rates and reduced overall computational time. Extensive numerical experiments on synthetic and real‐world datasets demonstrate the advantages of the introduced extrapolation techniques.     

A modified discrete-vortex method algorithm with shedding criterion for aerodynamic coefficients prediction at high angle of attack

Low-order methods require less computing power than classical computational fluid dynamics and can be implemented on a laptop computer, which is needed for engineering tasks. Discrete vortex methods are such low order methods that can describe the unsteady separated flow around an airfoil. After a presentation of the leading edge suction parameter discrete vortex method, a modified algorithm is proposed, in order to reduce the computing cost, and compared with the previous one. Several reference unsteady airfoil motions are discussed in terms of gain in the computation time with comparisons between the previous scheme and the present one. The accuracy of the new method is demonstrated through aerodynamic coefficients. The application of the present discrete vortex method to a transient pitching motion of an airfoil is also presented, in order to understand the leading edge vortex formation, and its implication in terms of lift and drag coefficients. The method is not limited to unsteady or transient motions but can also simulate the flow around a constant angle of attack airfoil. In that case, an original method of fast summation of the vortices located far away from the airfoil, allows a linear dependence of the computation time versus the number of vortices shed, which is a great improvement over the quadratic dependence observed in the classical discrete vortex methods. The development of the aerodynamic coefficients with angle of attack, from values ranging between −10° and 90°, is obtained for a purely two-dimensional flow. In particular, the shape of the lift coefficient of the airfoil in the fully detached flow region is established. Comparisons with relevant experimental or computational fluid dynamics data are discussed in order to grasp the influence of upstream turbulence level and three-dimensional effects in the measured data in the fully detached flow region.     

A Truncated Nonmonotone Gauss-Newton Method for Large-Scale Nonlinear Least-Squares Problems

In this paper, a Gauss-Newton method is proposed for the solution of large-scale nonlinear least-squares problems, by introducing a truncation strategy in the method presented in [9]. First, sufficient conditions are established for ensuring the convergence of an iterative method employing a truncation scheme for computing the search direction, as approximate solution of a Gauss-Newton type equation. Then, a specific truncated Gauss-Newton algorithm is described, whose global convergence is ensured under standard assumptions, together with the superlinear convergence rate in the zero-residual case. The results of a computational experimentation on a set of standard test problems are reported.     

A low-Mach number method for the numerical simulation of complex flows

A new numerical procedure which considers a modification to the artificial acoustic stiffness correction method (AASCM) is here presented, to perform simulations of low Mach number flows with the compressible Navier–Stokes equations. An extra term is added to the energy fluxes instead of using an energy source correction term as in the original model. This new scheme re-scales the speed of sound to values similar to the flow velocity, enabling the use of larger time steps and leading to a more stable numerical method. The new method is validated performing Large Eddy Simulations on test problems. The effect of a crucial numerical parameter alpha is evaluated as well as the robustness of the method to variations of the Mach number. Numerical results are compared to the existing experimental data showing that the new method achieves good agreement increasing the time-step, and therefore accelerating the computation for low-Mach convective flows.     

On a borderline between the NP-hard and polynomial-time solvable cases of the flow shop with job-dependent storage requirements

The paper is concerned with the two-machine flow shop, where each job requires an additional resource (referred to as storage space) from the start of its first operation till the end of its second operation. The storage requirement of a job is determined by the processing time of its first operation. At any point in time, the total consumption of this additional resource cannot exceed a given limit (referred to as the storage capacity). The goal is to minimise the makespan, i.e. to minimise the time needed for the completion of all jobs. This problem is NP-hard in the strong sense. The paper analyses how the parameter - a lower bound on the storage capacity specified in terms of the processing times, affects the computational complexity.

     

Uniform methods for semilinear problems with attractive boundary turning points

An upwind finite‐difference scheme for the numerical solution of semilinear convection‐diffusion problems with attractive boundary turning points is considered. We show that the maximum nodal error is bounded by a special weighted ℓ₁‐type norm of the truncation error. This result is used to establish uniform convergence with respect to the perturbation parameter on Shishkin meshes.     

Quadpack computation of Feynman loop integrals

The paper addresses a numerical computation of Feynman loop integrals, which are computed by an extrapolation to the limit as a parameter in the integrand tends to zero. An important objective is to achieve an automatic computation which is effective for a wide range of instances. Singular or near singular integrand behavior is handled via an adaptive partitioning of the domain, implemented in an iterated/repeated multivariate integration method. Integrand singularities possibly introduced via infrared (IR) divergence at the boundaries of the integration domain are addressed using a version of the Dqags algorithm from the integration package Quadpack, which uses an adaptive strategy combined with extrapolation. The latter is justified for a large class of problems by the underlying asymptotic expansions of the integration error. For IR divergent problems, an extrapolation scheme is presented based on dimensional regularization.     

Nonstandard methods for the convective‐dispersive transport equation with nonlinear reactions

A new nonstandard Eulerian‐Lagrangian method is constructed for the one‐dimensional, transient convective‐dispersive transport equation with nonlinear reaction terms. An “exact” difference scheme is applied to the convection‐reaction part of the equation to produce a semi‐discrete approximation with zero local truncation errors with respect to time. The spatial derivatives involved in the remaining dispersion term are then approximated using standard numerical methods. This approach leads to significant, qualitative improvements in the behavior of the numerical solution. It suppresses the numerical instabilities that arise from the incorrect modeling of derivatives and nonlinear reaction terms. Numerical experiments demonstrate the scheme's ability to model convection‐dominated, reactive transport problems. © 1999 John Wiley & Sons, Inc. Numer Methods Partial Differential Eq 15: 617–624, 1999