High-Order Symplectic and Symmetric Composition Methods for Multi-Frequency and Multi-Dimensional Oscillatory Hamiltonian Systems

The multi-frequency and multi-dimensional adapted Runge-Kutta-Nyström (ARKN) integrators, and multi-frequency and multi-dimensional extended Runge-Kutta-Nyström(ERKN) integrators have been developed to efficiently solve multi-frequency oscillatory Hamiltonian systems. The aim of this paper is to analyze and derive high-order symplectic and symmetric composition methods based on the ARKN integrators and ERKN integrators. We first consider the symplecticity conditions for the multi-frequency and multi-dimensional ARKN integrators. We then analyze the symplecticity of the adjoint integrators of the multi-frequency and multi-dimensional symplectic ARKN integrators and ERKN integrators, respectively. On the basis of the theoretical analysis and by using the idea of composition methods, we derive and propose four new high-order symplectic and symmetric methods for the multi-frequency oscillatory Hamiltonian systems. The numerical results accompanied in this paper quantitatively show the advantage and efficiency of the proposed high-order symplectic and symmetric methods.     

Conservation of energy,momentum and actions in numerical discretizations of non-linear wave equations

For classes of symplectic and symmetric time-stepping methods— trigonometric integrators and the Störmer–Verlet or leapfrog method—applied to spectral semi-discretizations of semilinear wave equations in a weakly non-linear setting, it is shown that energy, momentum, and all harmonic actions are approximately preserved over long times. For the case of interest where the CFL number is not a small parameter, such results are outside the reach of standard backward error analysis. Here, they are instead obtained via a modulated Fourier expansion in time.     

A highly accurate explicit symplectic ERKN method for multi-frequency and multidimensional oscillatory Hamiltonian systems

The numerical integration of Hamiltonian systems with multi-frequency and multidimensional oscillatory solutions is encountered frequently in many fields of the applied sciences. In this paper, we firstly summarize the extended Runge–Kutta–Nyström (ERKN) methods proposed by Wu et al. (Comput. Phys. Comm. 181:1873–1887, (2010)) for multi-frequency and multidimensional oscillatory systems and restate the order conditions and symplecticity conditions for the explicit ERKN methods. Secondly, we devote to exploring the explicit symplectic multi-frequency and multidimensional ERKN methods of order five based on the symplecticity conditions and order conditions. A five-stage explicit symplectic multi-frequency and multidimensional ERKN method of order five with some small residuals is proposed and its stability and phase properties are analyzed. It is shown that the new method is dispersive of order six. Numerical experiments are carried out and the numerical results demonstrate that the new method is much more efficient than the methods appeared in the scientific literature.     

Long-Time Oscillatory Energy Conservation of Total Energy-Preserving Methods for Highly Oscillatory Hamiltonian Systems

For an integrator when applied to a highly oscillatory system,the near conservation of the oscillatory energy over long times is an important aspect.In this paper,we study the long-time near conservation of oscillatory energy for the adapted average vector field(AAVF)method when applied to highly oscillatory Hamiltonian systems.This AAVF method is an extension of the average vector field method and preserves the total energy of highly oscillatory Hamiltonian systems exactly.This paper is devoted to analysing another important property of AAVF method,i.e.,the near conservation of its oscillatory energy in a long term.The long-time oscillatory energy conservation is obtained via constructing a modulated Fourier expansion of the AAVF method and deriving an almost invariant of the expansion.A similar result of the method in the multi-frequency case is also presented in this paper.     

Numerical Energy Conservation for Multi-Frequency Oscillatory Differential Equations

The long-time near-conservation of the total and oscillatory energies of numerical integrators for Hamiltonian systems with highly oscillatory solutions is studied in this paper. The numerical methods considered are symmetric trigonometric integrators and the St?rmer–Verlet method. Previously obtained results for systems with a single high frequency are extended to the multi-frequency case, and new insight into the long-time behaviour of numerical solutions is gained for resonant frequencies. The results are obtained using modulated multi-frequency Fourier expansions and the Hamiltonian-like structure of the modulation system. A brief discussion of conservation properties in the continuous problem is also included. AMS subject classification (2000) 65L05, 65P10     

Symplectic exponentially-fitted four-stage Runge–Kutta methods of the Gauss type

The construction of symmetric and symplectic exponentially-fitted Runge–Kutta methods for the numerical integration of Hamiltonian systems with oscillatory solutions deserves a lot of interest. In previous papers fourth-order and sixth-order symplectic exponentially-fitted integrators of Gauss type, either with fixed or variable nodes, have been derived. In this paper new such integrators of eighth-order are studied and constructed by making use of the six-step procedure of Ixaru and Vanden Berghe (2004). Numerical experiments for some oscillatory problems are presented.     

Order conditions for RKN methods solving general second-order oscillatory systems

This paper proposes and investigates the multidimensional extended Runge-Kutta-Nyström (ERKN) methods for the general second-order oscillatory system y″ + My = f(y, y′) where M is a positive semi-definite matrix containing implicitly the frequencies of the problem. The work forms a natural generalization of our previous work on ERKN methods for the special system y″ + My = f(y) (H. Yang et al. Extended RKN-type methods for numerical integration of perturbed oscillators, Comput. Phys. Comm. 180 (2009) 1777–1794 and X. Wu et al., ERKN integrators for systems of oscillatory second-order differential equations, Comput. Phys. Comm. 181 (2010) 1873–1887). The new ERKN methods, with coefficients depending on the frequency matrix M, incorporate the special structure of the equation brought by the term My into both internal stages and updates. In order to derive the order conditions for the ERKN methods, an extended Nyström tree (EN-tree) theory is established. The results of numerical experiments show that the new ERKN methods are more efficient than the general-purpose RK methods and the adapted RKN methods with the same algebraic order in the literature.     

Conformal structure-preserving schemes for damped-driven stochastic nonlinear Schrödinger equation with multiplicative noise

Since many physical phenomena are often influenced by dispersive medium, energy compensation and random perturbation, exploring the dynamic behaviors of the damped-driven stochastic system has becoming a hot topic in mathematical physics in recent years. In this paper, inspired by the stochastic conformal structure, we investigate the geometric numerical integrators for the damped-driven stochastic nonlinear Schrödinger equation with multiplicative noise. To preserve the conformal structures of the system, by using symplectic Euler method, implicit midpoint method and Fourier pseudospectral method, we propose three kinds of stochastic conformal schemes satisfying corresponding discrete stochastic multiconformal-symplectic conservation laws and discrete global/local charge conservation laws. Numerical experiments illustrate the structure-preserving properties of the proposed schemes, as well as favorable results over traditional nonconformal schemes, which are consistent with our theoretical analysis.     

On high order symmetric and symplectic trigonometrically fitted Runge-Kutta methods with an even number of stages

The existence and construction of symplectic 2s-stage variable coefficients Runge-Kutta (RK) methods that integrate exactly IVPs whose solution is a trigonometrical polynomial of order s with a given frequency ω is considered. The resulting methods, that can be considered as trigonometrical collocation methods, are fully implicit, symmetric and symplectic RK methods with variable nodes and coefficients that are even functions of ν=ω h (h is the step size), and for ω→0 they tend to the conventional RK Gauss methods. The present analysis extends previous results on two-stage symplectic exponentially fitted integrators of Van de Vyver (Comput. Phys. Commun. 174: 255–262, 2006) and Calvo et al. (J. Comput. Appl. Math. 218: 421–434, 2008) to symmetric and symplectic trigonometrically fitted methods of high order. The algebraic order of the trigonometrically fitted symmetric and symplectic 2s-stage methods is shown to be 4s like in conventional RK Gauss methods. Finally, some numerical experiments with oscillatory Hamiltonian systems are presented.     

A sixth order diagonally implicit symmetric and symplectic Runge-Kutta method for solving Hamiltonian systems

The paper is concerned with construction of symmetric and symplectic Runge-Kutta methods for Hamiltonian systems. Based on the symplectic and symmetrical properties, a sixth-order diagonally implicit symmetric and symplectic Runge-Kutta method with seven stages is presented, the proposed method proved to be P-stable. Numerical experiments with some Hamiltonian oscillatory problems are presented to show the proposed method is as competitive as the existing Runge-Kutta methods in scientic literature.     

Hamilton–Pontryagin Integrators on Lie Groups Part I: Introduction and Structure-Preserving Properties

In this paper, structure-preserving time-integrators for rigid body-type mechanical systems are derived from a discrete Hamilton–Pontryagin variational principle. From this principle, one can derive a novel class of variational partitioned Runge–Kutta methods on Lie groups. Included among these integrators are generalizations of symplectic Euler and Störmer–Verlet integrators from flat spaces to Lie groups. Because of their variational design, these integrators preserve a discrete momentum map (in the presence of symmetry) and a symplectic form. In a companion paper, we perform a numerical analysis of these methods and report on numerical experiments on the rigid body and chaotic dynamics of an underwater vehicle. The numerics reveal that these variational integrators possess structure-preserving properties that methods designed to preserve momentum (using the coadjoint action of the Lie group) and energy (for example, by projection) lack.     

ERKN methods for long-term integration of multidimensional orbital problems

This paper is devoted to introducing ERKN methods for long-term integration of multidimensional orbital problems. For the general multidimensional perturbed oscillators y^″+My=f(t,y)$y^{″}+\mathit{My}=f(t\text{,}y)$ with M∈R^m×m$M\in {\mathbb{R}}^{m\times m}$, the extended Runge–Kutta–Nyström (ERKN) methods are proposed by Wu et al. [X. Wu, X. You, W. Shi, B. Wang, ERKN integrators for systems of oscillatory second-order differential equations, Comput. Phys. Commun. 181 (2010) 1873–1887]. These methods exactly integrate the multidimensional unperturbed oscillators and are highly efficient when the perturbing forces are small. In this paper, we pay attention to the applications of ERKN methods to multidimensional orbital problems. Numerical experiments accompanied demonstrate that for long-term integration of multidimensional orbital problems the multidimensional ERKN methods are more efficient compared with high-quality codes proposed in the scientific literature. In particular, when an orbital problem under consideration is a Hamiltonian system, the symplectic ERKN methods preserve the Hamiltonian very well, and has better accuracy than the high-quality codes with the same computational cost.     

Symmetric and symplectic exponential integrators for nonlinear Hamiltonian systems

This letter studies symmetric and symplectic exponential integrators when applied to numerically computing nonlinear Hamiltonian systems. We first establish the symmetry and symplecticity conditions of exponential integrators and then show that these conditions are extensions of the symmetry and symplecticity conditions of Runge–Kutta methods. Based on these conditions, some symmetric and symplectic exponential integrators up to order four are derived. Two numerical experiments are carried out and the results demonstrate the remarkable numerical behaviour of the new exponential integrators in comparison with some symmetric and symplectic Runge–Kutta methods in the literature.     

关于辛算法稳定性的若干注记

我们讨论辛算法的线性稳定性和非线性稳定性,从动力系统和计算的角度论述了研究辛算法的这两类稳定性问题的重要性,分析总结了相关重要结果.我们给出了解析方法的明确定义,证明了稳定函数是亚纯函数的解析辛方法是绝对线性稳定的.绝对线性稳定的辛方法既有解析方法（如Runge-Kutta辛方法）,也有非解析方法（如基于常数变易公式对线性部分进行指数积分而对非线性部分使用其它数值积分的方法）.我们特别回顾并讨论了R.I.McLachlan,S.K.Gray和S.Blanes,F.Casas,A.Murua等关于分裂算法的线性稳定性结果,如通过选取适当的稳定多项式函数构造具有最优线性稳定性的任意高阶分裂辛算法和高效共轭校正辛算法,这类经优化后的方法应用于诸如高振荡系统和波动方程等线性方程或者线性主导的弱非线性方程具有良好的数值稳定性.我们通过分析辛算法在保持椭圆平衡点的稳定性,能量面的指数长时间慢扩散和KAM不变环面的保持等三个方面阐述了辛算法的非线性稳定性,总结了相关已有结果.最后在向后误差分析基础上,基于一个自由度的非线性振子和同宿轨分析法讨论了辛算法的非线性稳定性,提出了一个新的非线性稳定性概念,目的是为辛算法提供一个实际可用的非线性稳定性判别法.     

New open modified Newton Cotes type formulae as multilayer symplectic integrators

New modified open Newton Cotes integrators are introduced in this paper. For the new proposed integrators the connection between these new algorithms, differential methods and symplectic integrators is studied. Much research has been done on one step symplectic integrators and several of them have obtained based on symplectic geometry. However, the research on multistep symplectic integrators is very poor. Zhu et al. [1] studied the well known open Newton Cotes differential methods and they presented them as multilayer symplectic integrators. Chiou and Wu [2] studied the development of multistep symplectic integrators based on the open Newton Cotes integration methods. In this paper we introduce a new open modified numerical method of Newton Cotes type and we present it as symplectic multilayer structure. The new obtained symplectic schemes are applied for the solution of Hamilton’s equations of motion which are linear in position and momentum. An important remark is that the Hamiltonian energy of the system remains almost constant as integration proceeds. We have applied also efficiently the new proposed method to a nonlinear orbital problem and an almost periodic orbital problem.     

Energy Conservation with Non-Symplectic Methods: Examples and Counter-Examples

Energy conservation of numerical integrators is well understood for symplectic one-step methods. This article provides new insight into energy conservation with non-symplectic methods. Sufficient conditions and counter-examples are presented. AMS subject classification (2000) 65L06, 65P10, 37J99.Submitted June 2004. Accepted October 2004. Communicated by Syvert Nørsett.     

Closed Newton–Cotes trigonometrically-fitted formulae of high order for long-time integration of orbital problems

The connection between closed Newton–Cotes, trigonometrically-fitted differential methods and symplectic integrators is studied in this paper. Several one-step symplectic integrators have been obtained based on symplectic geometry, as is shown in the literature. However, the study of multi-step symplectic integrators is very limited. The well-known open Newton–Cotes differential methods are presented as multilayer symplectic integrators by Zhu et al. [W. Zhu, X. Zhao, Y. Tang, Journal of Chem. Phys. 104 (1996), 2275]. The construction of multi-step symplectic integrators based on the open Newton–Cotes integration methods is investigated by Chiou and Wu [J.C. Chiou, S.D. Wu, Journal of Chemical Physics 107 (1997), 6894]. The closed Newton–Cotes formulae are studied in this paper and presented as symplectic multilayer structures. We also develop trigonometrically-fitted symplectic methods which are based on the closed Newton–Cotes formulae. We apply the symplectic schemes in order to solve Hamilton’s equations of motion which are linear in position and momentum. We observe that the Hamiltonian energy of the system remains almost constant as the integration proceeds. Finally we apply the new developed methods to an orbital problem in order to show the efficiency of this new methodology.     

Stochastic discrete Hamiltonian variational integrators

Variational integrators are derived for structure-preserving simulation of stochastic Hamiltonian systems with a certain type of multiplicative noise arising in geometric mechanics. The derivation is based on a stochastic discrete Hamiltonian which approximates a type-II stochastic generating function for the stochastic flow of the Hamiltonian system. The generating function is obtained by introducing an appropriate stochastic action functional and its corresponding variational principle. Our approach permits to recast in a unified framework a number of integrators previously studied in the literature, and presents a general methodology to derive new structure-preserving numerical schemes. The resulting integrators are symplectic; they preserve integrals of motion related to Lie group symmetries; and they include stochastic symplectic Runge–Kutta methods as a special case. Several new low-stage stochastic symplectic methods of mean-square order 1.0 derived using this approach are presented and tested numerically to demonstrate their superior long-time numerical stability and energy behavior compared to nonsymplectic methods.     

A CLASS OF EXPLICIT RATIONAL SYMPLECTIC INTEGRATORS

In this paper, a class of rational explicit symplectic integrators for one-dimensional oscillatory Hamiltonian problems are presented. These methods are zero-dissipative, and of first algebraic order and high phase-lag order. By means of composition technique, we construct second and fourth order methods with high phase-lag order of this type. Based on our ideas, three applicable explicit symplectic schemes with algebraic order one, two and four are derived, respectively. We report some numerical results to illustrate the good performance of our methods.     

Enhancing energy conserving methods

Recent observations [5] indicate that energy-momentum methods might be better suited for the numerical integration of highly oscillatory Hamiltonian systems than implicit symplectic methods. However, the popular energy-momentum method, suggested in [3], achieves conservation of energy by a global scaling of the force field. This leads to an undesirable coupling of all degrees of freedom that is not present in the original problem formulation. We suggest enhancing this energy-momentum method by splitting the force field and using separate adjustment factors for each force. In case that the potential energy function can be split into a strong and a weak part, we also show how to combine an energy conserving discretization of the strong forces with a symplectic discretization of the weak contributions. We demonstrate the numerical properties of our method by simulating particles that interact through Lennard-Jones potentials and by integrating the Sine-Gordon equation.This work was partly supported by NIH Grant P41RR05969, DOE/NSF Grant DE-FG02-91-ER25099/DMS-9304268, and NSF GCAG/HPCC ASC-9318159.