On higher-order semi-explicit symplectic partitioned Runge-Kutta methods for constrained Hamiltonian systems

Summary. In this paper we generalize the class of explicit partitioned Runge-Kutta (PRK) methods for separable Hamiltonian systems to systems with holonomic constraints. For a convenient analysis of such schemes, we first generalize the backward error analysis for systems in to systems on manifolds embedded in . By applying this analysis to constrained PRK methods, we prove that such methods will, in general, suffer from order reduction as well-known for higher-index differential-algebraic equations. However, this order reduction can be avoided by a proper modification of the standard PRK methods. This modification increases the number of projection steps onto the constraint manifold but leaves the number of force evaluations constant. We also give a numerical comparison of several second, fourth, and sixth order methods. Received May 5, 1995 / Revised version received February 7, 1996     

A dynamical systems approach to constrained minimization

We present an ordinary differential equations approach to solve general smooth minimization problems including a convergence analysis. Generically often the procedure ends up at a point which fulfills sufficient conditions for a local minimum. This procedure will then be rewritten in the concept of differential algebraic equations which opens the route to an efficient implementation. Furthermore, we link this approach with the classical SQP-approach and apply both techniques onto two examples relevant in applications.     

Explicit methods for mildly stiff oscillatory systems

We discuss error control for explicit methods when the stepsize is bounded by stability on the imaginary axis. Our main result is a formulation of a condition on the estimator of the local error which prevents the fast components to exceed the prescribed error tolerance. A PECE Adams method of 4th order accuracy is proposed for mildly stiff oscillatory systems. For comparison we also discuss embedded Runga-Kutta methods.Partially supported by the Office of Naval Research N00014-90-J-1382     

Convergence analysis of waveform relaxation methods for neutral differential-functional systems

In this paper, the problems of convergence and superlinear convergence of continuous-time waveform relaxation method applied to Volterra type systems of neutral functional-differential equations are discussed. Under a Lipschitz condition with time- and delay-dependent right-hand side imposed on the so-called splitting function, more suitable conditions about convergence and superlinear convergence of continuous-time WR method are obtained. We also investigate the initial interval acceleration strategy for the practical implementation of the continuous-time waveform relaxation method, i.e., discrete-time waveform relaxation method. It is shown by numerical results that this strategy is efficacious and has the essential acceleration effect for the whole computation process.     

Half-explicit Runge-Kutta methods with explicit stages for differential-algebraic systems of index 2

Usually the straightforward generalization of explicit Runge-Kutta methods for ordinary differential equations to half-explicit methods for differential-algebraic systems of index 2 results in methods of orderq≤2. The construction of higher order methods is simplified substantially by a slight modification of the method combined with an improved strategy for the computation of the algebraic solution components. We give order conditions up to orderq=5 and study the convergence of these methods. Based on the fifth order method of Dormand and Prince the fifth order half-explicit Runge-Kutta method HEDOP5 is constructed that requires the solution of 6 systems of nonlinear equations per step of integration.     

On the solvability of the systems of equations arising in implicit Runge-Kutta methods

In this paper we present a new condition under which the systems of equations arising in the application of an implicit Runge-Kutta method to a stiff initial value problem, has unique solutions. We show that our condition is weaker than related conditions presented previously. It is proved that the Lobatto IIIC methods fulfil the new condition.     

A stability property ofA-stable natural Runge-Kutta methods for systems of delay differential equations

A natural Runge-Kutta method is a special type of Runge-Kutta method for delay differential equations (DDEs); it is known that any one-step collocation method is equivalent to one of such methods. In this paper, we consider a linear constant-coefficient system of DDEs with a constant delay, and discuss the application of natural Runge-Kutta methods to the system. We show that anA-stable method preserves the asymptotic stability property of the analytical solutions of the system.     

Runge-Kutta schemes that maintain invariant solutions for differential algebraic systems

Implicit Runge-Kutta (IRK) methods and projected IRK methods for the solution of semiexplicit index-2 systems of differential algebraic systems (DAEs) have been proposed by several authors. In this paper we prove that if a method satisfiesBA+A ^t B–bb ^t =0, it conserves quadratic invariants of DAEs.     

Energy-preserving methods for Poisson systems

We present and analyze energy-conserving methods for the numerical integration of IVPs of Poisson type that are able to preserve some Casimirs. Their derivation and analysis is done following the ideas of Hamiltonian BVMs (HBVMs) (see Brugnano et al. [10] and references therein). It is seen that the proposed approach allows us to obtain the methods recently derived in Cohen and Hairer (2011) [17], giving an alternative derivation of such methods and a new proof of their order. Sufficient conditions that ensure the existence of a unique solution of the implicit equations defining the formulae are given. A study of the implementation of the methods is provided. In particular, order and preservation properties when the involved integrals are approximated by means of a quadrature formula, are derived.     

Methods for parallel integration of stiff systems of odes

This paper presents a class of parallel numerical integration methods for stiff systems of ordinary differential equations which can be partitioned into loosely coupled sub-systems. The formulas are called decoupled backward differentiation formulas, and they are derived from the classical formulas by restricting the implicit part to the diagnonal sub-system. With one or several sub-systems allocated to each processor, information only has to be exchanged after completion of a step but not during the solution of the nonlinear algebraic equations.The main emphasis is on the formula of order 1, the decoupled implicit Euler formula. It is proved that this formula even for a wide range of multirate formulations has an asymptotic global error expansion permitting extrapolation. Besides, sufficient conditions for absolute stability are presented.     

Constrained least squares methods for linear timevarying DAE systems

Summary This paper presents a family of methods for accurate solution of higher index linear variable DAE systems, . These methods use the DAE system and some of its first derivatives as constraints to a least squares problem that corresponds to a Taylor series ofy, or an approximative equality derived from a Pade' approximation of the exponential function. Accuracy results for systems transformable to standard canonical form are given. Advantages, disadvantages, stability properties and implementation of these methods are discussed and two numerical examples are given, where we compare our results with results from more traditional methods.     

Eigenvalue problem for a coupled channel Schrödinger equation with application to the description of deformed nuclear systems

We discuss the accurate computation of the eigensolutions of systems of coupled channel Schrödinger equations as they appear in studies of real physical phenomena like fission, alpha decay and proton emission. A specific technique is used to compute the solution near the singularity in the origin, while on the rest of the interval the solution is propagated using a piecewise perturbation method. Such a piecewise perturbation method allows us to take large steps even for high energy-values. We consider systems with a deformed potential leading to an eigenvalue problem where the energies are given and the required eigenvalue is related to the adjustment of the potential, viz, the eigenvalue is the depth of the nuclear potential. A shooting technique is presented to determine this eigenvalue accurately.     

Stability of backward Euler multirate methods and convergence of waveform relaxation

For a large class of traditional backward Euler multirate methods we show that stability is preserved when the methods are applied to certain stable (but not necessarily monotonic) non-linear systems. Methods which utilize waveform relaxation sweeps are shown to be stable and converge for certain monotonic systems.     

On the equivalence of BS-stability and B-consistency

Among several stability and consistency concepts for Runge-Kutta methods applied to stiff initial value problems, BS-stability and B-consistency turn out to be equivalent for initial value problems with a one-sided Lipschitz constantm 0. In addition to this result, it is shown that the same holds for their internal counterparts.This paper was written while this author was visiting the Centre for Mathematics and Computer Science with an Erwin-Schrödinger stipend from the Fonds zur Förderung der wissenschaftlichen Forschung.     

Conservation of integrals and symplectic structure in the integration of differential equations by multistep methods

Summary We consider the question of whether multistep methods inherit in some sense quadratic first integrals possessed by the differential system being integrated. We also investigate whether, in the integration of Hamiltonian systems, multistep methods conserve the symplectic structure of the phase space.     

Convergence of linear multistep and one-leg methods for stiff nonlinear initial value problems

To prove convergence of numerical methods for stiff initial value problems, stability is needed but also estimates for the local errors which are not affected by stiffness. In this paper global error bounds are derived for one-leg and linear multistep methods applied to classes of arbitrarily stiff, nonlinear initial value problems. It will be shown that under suitable stability assumptions the multistep methods are convergent for stiff problems with the same order of convergence as for nonstiff problems, provided that the stepsize variation is sufficiently regular.     

Time-stepping and preserving orthonormality

Certain applications produce initial value ODEs whose solutions, regarded as time-dependent matrices, preserve orthonormality. Such systems arise in the computation of Lyapunov exponents and the construction of smooth singular value decompositions of parametrized matrices. For some special problem classes, there exist time-stepping methods that automatically inherit the orthonormality preservation. However, a more widely applicable approach is to apply a standard integrator and regularly replace the approximate solution by an orthonormal matrix. Typically, the approximate solution is replaced by the factorQ from its QR decomposition (computed, for example, by the modified Gram-Schmidt method). However, the optimal replacement—the one that is closest in the Frobenius norm—is given by the orthonormal polar factor. Quadratically convergent iteration schemes can be used to compute this factor. In particular, there is a matrix multiplication based iteration that is ideally suited to modern computer architectures. Hence, we argue that perturbing towards the orthonormal polar factor is an attractive choice, and we consider performing a fixed number of iterations. Using the optimality property we show that the perturbations improve the departure from orthonormality without significantly degrading the finite-time global error bound for the ODE solution. Our analysis allows for adaptive time-stepping, where a local error control process is driven by a user-supplied tolerance. Finally, using a recent result of Sun, we show how the global error bound carries through to the case where the orthonormal QR factor is used instead of the orthonormal polar factor. This work was supported by Engineering and Physical Sciences Research Council grants GR/H94634 and GR/K80228.     

Solving systems of fractional differential equations using differential transform method

This paper presents approximate analytical solutions for systems of fractional differential equations using the differential transform method. The fractional derivatives are described in the Caputo sense. The application of differential transform method, developed for differential equations of integer order, is extended to derive approximate analytical solutions of systems of fractional differential equations. The solutions of our model equations are calculated in the form of convergent series with easily computable components. Some examples are solved as illustrations, using symbolic computation. The numerical results show that the approach is easy to implement and accurate when applied to systems of fractional differential equations. The method introduces a promising tool for solving many linear and nonlinear fractional differential equations.