Systematic construction of efficient six-stage fifth-order explicit Runge-Kutta embedded pairs without standard simplifying assumptions

This thesis examines methodologies and software to construct explicit Runge-Kutta (ERK) pairs for solving initial value problems (IVPs) by constructing efficient six-stage fifth-order ERK pairs without standard simplifying assumptions. The problem of whether efficient higher-order ERK pairs can be constructed algebraically without the standard simplifying assumptions dates back to at least the 1960s, with Cassity's complete solution of the six-stage fifth-order order conditions. Although RK methods based on the six-stage fifth-order order conditions have been widely studied and have continuing practical importance, prior to this thesis, the aforementioned complete solution to these order conditions has no published usage beyond the original series of publications by Cassity in the 1960s. The complete solution of six-stage fifth-order ERK order conditions published by Cassity in 1969 is not in a formulation that can easily be used for practical purposes, such as a software implementation. However, it is shown in this thesis that when the order conditions are solved and formulated appropriately using a computer algebra system (CAS), the generated code can be used for practical purposes and the complete solution is readily extended to ERK pairs. The condensed matrix form of the order conditions introduced by Cassity in 1969 is shown to be an ideal methodology, which probably has wider applicability, for solving order conditions using a CAS. The software package OCSage developed for this thesis, in order to solve the order conditions and study the properties of the resulting methods, is built on top of the Sage CAS. However, in order to effectively determine that the constructed ERK pairs without standard simplifying assumptions are in fact efficient by some well-defined criteria, the process of selecting the coefficients of ERK pairs is re-examined in conjunction with a sufficient amount of performance data. The pythODE software package developed for this thesis is used to generate a large amount of performance data from a large selection of candidate ERK pairs found using OCSage. In particular, it is shown that there is unlikely to be a well-defined methodology for selecting optimal pairs for general-purpose use, other than avoiding poor choices of certain properties and ensuring the error coefficients are as small as possible. However, for IVPs from celestial mechanics, there are obvious optimal pairs that have specific values of a small subset of the principal error coefficients (PECs). Statements seen in the literature that the best that can be done is treating all PECs equally do not necessarily apply to at least some broad classes of IVPs. By choosing ERK pairs based on specific values of individual PECs, not only are ERK pairs that are 20-30% more efficient than comparable published pairs found for test sets of IVPs from celestial mechanics, but the variation in performance between the best and worst ERK pairs that otherwise would seem to have similar properties is reduced from a factor of 2 down to as low as 15%. Based on observations of the small number of IVPs of other classes in common IVP test sets, there are other classes of IVPs that have different optimal values of the PECs. A more general contribution of this thesis is that it specifically demonstrates how specialized software tools and a larger amount of performance data than is typical can support novel empirical insights into numerical methods

Integrating-factor-based 2-additive Runge-Kutta methods for advection-reaction-diffusion equations

There are three distinct processes that are predominant in models of flowing media with interacting components: advection, reaction, and diffusion. Collectively, these processes are typically modelled with partial differential equations (PDEs) known as advection-reaction-diffusion (ARD) equations. To solve most PDEs in practice, approximation methods known as numerical methods are used. The method of lines is used to approximate PDEs with systems of ordinary differential equations (ODEs) by a process known as semi-discretization. ODEs are more readily analysed and benefit from well-developed numerical methods and software. Each term of an ODE that corresponds to one of the processes of an ARD equation benefits from particular mathematical properties in a numerical method. These properties are often mutually exclusive for many basic numerical methods. A limitation to the widespread use of more complex numerical methods is that the development of the appropriate software to provide comparisons to existing numerical methods is not straightforward. Scientific and numerical software is often inflexible, motivating the development of a class of software known as problem-solving environments (PSEs). Many existing PSEs such as Matlab have solvers for ODEs and PDEs but lack specific features, beyond a scripting language, to readily experiment with novel or existing solution methods. The PSE developed during the course of this thesis solves ODEs known as initial-value problems, where only the initial state is fully known. The PSE is used to assess the performance of new numerical methods for ODEs that integrate each term of a semi-discretized ARD equation. This PSE is part of the PSE pythODE that uses object-oriented and software-engineering techniques to allow implementations of many existing and novel solution methods for ODEs with minimal effort spent on code modification and integration. The new numerical methods use a commutator-free exponential Runge-Kutta (CFERK) method to solve the advection term of an ARD equation. A matrix exponential is used as the exponential function, but CFERK methods can use other numerical methods that model the flowing medium. The reaction term is solved separately using an explicit Runge-Kutta method because solving it along with the diffusion term can result in stepsize restrictions and hence inefficiency. The diffusion term is solved using a Runge-Kutta-Chebyshev method that takes advantage of the spatially symmetric nature of the diffusion process to avoid stepsize restrictions from a property known as stiffness. The resulting methods, known as Integrating-factor-based 2-additive Runge-Kutta methods, are shown to be able to find higher-accuracy solutions in less computational time than competing methods for certain challenging semi-discretized ARD equations. This demonstrates the practical viability both of using CFERK methods for advection and a 3-splitting in general

Discovery and optimization of low-storage Runge-Kutta methods

Runge-Kutta (RK) methods are an important family of iterative methods for approximating the solutions of ordinary differential equations (ODEs) and differential algebraic equations (DAEs). It is common to use an RK method to discretize in time when solving time dependent partial differential equations (PDEs) with a method-of-lines approach as in Maxwell’s Equations. Different types of PDEs are discretized in such a way that could result in a high dimensional ODE or DAE.We use a low-storage RK (LSRK) method that stores two registers per ODE dimension, which limits the impact of increased storage requirements. Classical RK methods, however, have one storage variable per stage. In this thesis we compare the efficiency and accuracy of LSRK methods to RK methods. We then focus on optimizing the truncation error coefficients for LSRK to discover new methods. Reusing the tools from the optimization method, we discover new methods for low-storage half-explicit RK (LSHERK) methods for solving DAEs.http://archive.org/details/discoveryndoptim1094545852Captain, United States ArmyApproved for public release; distribution is unlimited

The Magnus expansion and some of its applications

Approximate resolution of linear systems of differential equations with varying coefficients is a recurrent problem shared by a number of scientific and engineering areas, ranging from Quantum Mechanics to Control Theory. When formulated in operator or matrix form, the Magnus expansion furnishes an elegant setting to built up approximate exponential representations of the solution of the system. It provides a power series expansion for the corresponding exponent and is sometimes referred to as Time-Dependent Exponential Perturbation Theory. Every Magnus approximant corresponds in Perturbation Theory to a partial re-summation of infinite terms with the important additional property of preserving at any order certain symmetries of the exact solution. The goal of this review is threefold. First, to collect a number of developments scattered through half a century of scientific literature on Magnus expansion. They concern the methods for the generation of terms in the expansion, estimates of the radius of convergence of the series, generalizations and related non-perturbative expansions. Second, to provide a bridge with its implementation as generator of especial purpose numerical integration methods, a field of intense activity during the last decade. Third, to illustrate with examples the kind of results one can expect from Magnus expansion in comparison with those from both perturbative schemes and standard numerical integrators. We buttress this issue with a revision of the wide range of physical applications found by Magnus expansion in the literature.Comment: Report on the Magnus expansion for differential equations and its applications to several physical problem

Computer solution of non-linear integration formula for solving initial value problems

This thesis is concerned with the numerical solutions of initial value problems with ordinary differential equations and covers single step integration methods. focus is to study the numerical the various aspects of Specifically, its main methods of non-linear integration formula with a variety of means based on the Contraharmonic mean (C˳M) (Evans and Yaakub [1995]), the Centroidal mean (C˳M) (Yaakub and Evans [1995]) and the Root-Mean-Square (RMS) (Yaakub and Evans [1993]) for solving initial value problems. the applications of the second It includes a study of order C˳M method for parallel implementation of extrapolation methods for ordinary differential equations with the ExDaTa schedule by Bahoshy [1992]. Another important topic presented in this thesis is that a fifth order five-stage explicit Runge Kutta method or weighted Runge Kutta formula [Evans and Yaakub [1996]) exists which is contrary to Butcher [1987] and the theorem in Lambert ([1991] ,pp 181). The thesis is organized as follows. An introduction to initial value problems in ordinary differential equations and parallel computers and software in Chapter 1, the basic preliminaries and fundamental concepts in mathematics, an algebraic manipulation package, e.g., Mathematica and basic parallel processing techniques are discussed in Chapter 2. Following in Chapter 3 is a survey of single step methods to solve ordinary differential equations. In this chapter, several single step methods including the Taylor series method, Runge Kutta method and a linear multistep method for non-stiff and stiff problems are also considered. Chapter 4 gives a new Runge Kutta formula for solving initial value problems using the Contraharmonic mean (C˳M), the Centroidal mean (C˳M) and the Root-MeanSquare (RMS). An error and stability analysis for these variety of means and numerical examples are also presented. Chapter 5 discusses the parallel implementation on the Sequent 8000 parallel computer of the Runge-Kutta contraharmonic mean (C˳M) method with extrapolation procedures using explicit assignment scheduling Kutta RK(4, 4) method (EXDATA) strategies. A is introduced and the data task new Rungetheory and analysis of its properties are investigated and compared with the more popular RKF(4,5) method, are given in Chapter 6. Chapter 7 presents a new integration method with error control for the solution of a special class of second order ODEs. In Chapter 8, a new weighted Runge-Kutta fifth order method with 5 stages is introduced. By comparison with the currently recommended RK4 ( 5) Merson and RK5(6) Nystrom methods, the new method gives improved results. Chapter 9 proposes a new fifth order Runge-Kutta type method for solving oscillatory problems by the use of trigonometric polynomial interpolation which extends the earlier work of Gautschi [1961]. An analysis of the convergence and stability of the new method is given with comparison with the standard Runge-Kutta methods. Finally, Chapter 10 summarises and presents conclusions on the topics discussed throughout the thesis

SciCADE 95: International conference on scientific computation and differential equations

This report consists of abstracts from the conference. Topics include algorithms, computer codes, and numerical solutions for differential equations. Linear and nonlinear as well as boundary-value and initial-value problems are covered. Various applications of these problems are also included

Numerical treatment of special second order ordinary differential equations: general and exponentially fitted methods

2010 - 2011The aim of this research is the construction and the analysis of new families of numerical methods for the integration of special second order Ordinary Differential Equations (ODEs). The modeling of continuous time dynamical systems using second order ODEs is widely used in many elds of applications, as celestial mechanics, seismology, molecular dynamics, or in the semidiscretisation of partial differential equations (which leads to high dimensional systems and stiffness). Although the numerical treatment of this problem has been widely discussed in the literature, the interest in this area is still vivid, because such equations generally exhibit typical problems (e.g. stiffness, metastability, periodicity, high oscillations), which must efficiently be overcome by using suitable numerical integrators. The purpose of this research is twofold: on the one hand to construct a general family of numerical methods for special second order ODEs of the type y00 = f(y(t)), in order to provide an unifying approach for the analysis of the properties of consistency, zero-stability and convergence; on the other hand to derive special purpose methods, that follow the oscillatory or periodic behaviour of the solution of the problem...[edited by author]X n. s

Diagonally Implicit Runge-Kutta Methods for Ordinary Differential Equations. A Review

A review of diagonally implicit Runge-Kutta (DIRK) methods applied to rst-order ordinary di erential equations (ODEs) is undertaken. The goal of this review is to summarize the characteristics, assess the potential, and then design several nearly optimal, general purpose, DIRK-type methods. Over 20 important aspects of DIRKtype methods are reviewed. A design study is then conducted on DIRK-type methods having from two to seven implicit stages. From this, 15 schemes are selected for general purpose application. Testing of the 15 chosen methods is done on three singular perturbation problems. Based on the review of method characteristics, these methods focus on having a stage order of two, sti accuracy, L-stability, high quality embedded and dense-output methods, small magnitudes of the algebraic stability matrix eigenvalues, small values of aii, and small or vanishing values of the internal stability function for large eigenvalues of the Jacobian. Among the 15 new methods, ESDIRK4(3)6L[2]SA is recommended as a good default method for solving sti problems at moderate error tolerances