Numerical Integration of Odes While Preserving All Polynomial First
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Numerical integration of ODEs while preserving all polynomial first integrals Benjamin K Tapley∗ Department of Mathematical Sciences, The Norwegian University of Science and Technology, 7491 Trondheim, Norway August 17, 2021 Abstract We present a novel method for solving ordinary differential equations (ODEs) while pre- serving all polynomial first integrals. The method is essentially a symplectic Runge-Kutta method applied to a reformulated version of the ODE under study and is illustrated through a number of examples including Hamiltonian ODEs, a Nambu system and the Toda Lattice. When applied to certain Hamiltonian ODEs, the proposed method yields the averaged vector field method as a special case. 1 Introduction In this paper, we are concerned with the numerical solution of autonomous ODEs in n dimensions x_ = f(x); x 2 Rn; (1) _ that possess the functions Hi(x) for i = 1; :::; m < n satisfying Hi(x) = f(x) · rHi(x) = 0, where d the dot denotes dt . If such functions exist, they are called first integrals of (1). The preservation of first integrals under numerical methods is an important property for the method to inherit when arXiv:2108.06548v1 [math.NA] 14 Aug 2021 performing long-term simulations of dynamical systems [1]. Hamiltonian systems, for instance, are an important class of ODEs that govern many physical phenomena and have subsequently been the subject of many influential studies. Many well designed energy-preserving methods have therefore been proposed for solving such systems, for example, discrete gradient methods [2, 3], Hamiltonian boundary value methods [4] and Runge-Kutta type methods [5{7]. In particular, the energy-preserving averaged vector field method, which was first introduced in [8], has been the building block of many interesting methods for such canonical Hamiltonian ODEs [9, 10]. The study of energy-preserving numerical methods for ODEs often also serves as inspiration for many energy-preserving methods for Hamiltonian PDEs including discrete variational methods [11,12], averaged vector field methods [13, 14], continuous Runge-Kutta type methods [15] and fast lin- early implicit methods based on polarization [16] or discrete gradients [17]. Another successful ∗email: [email protected] 1 energy-preserving method for Hamiltonian PDEs is the scalar auxillary variable approach [18,19]. However, many dynamical systems possess multiple first integrals such as Lie-Poisson systems, lattice equations, Nambu systems and many other integrable systems. As it is desirable for numerical simulations to inherit as many physical properties of the exact solution as possible, numerical methods for preserving multiple first integrals have been considered. Although this is a much more difficult task than preserving a single first integral, many successful methods have been constructed in the past that utilize projection [20,21] and/or discrete gradients [3,22], which is a form of projection [23]. However, as noted in [24], projection is somewhat of a last resort as it destroys other properties of the solution such as the affine covariance and may not give good long time behavior. Other methods for preserving multiple first integrals that are worth mentioning are the line integral methods [25,26]. Here, we present a novel numerical method that preserves all polynomial integrals Hi(x) of an ODE of the form (1). The method is simple and is essentially the midpoint rule, or a higher order symplectic Runge-Kutta method, but applied to a reformulated version of the ODE un- der study in a higher dimensional phase space then projected exactly onto the original phase space. The method is therefore implicit, symmetric, of arbitrary order and roughly the same computational cost of an implicit Runge-Kutta method. Furthermore, when restricted to some canonical Hamiltonian ODEs our method yields the averaged vector field method as a special case. The paper is organized as follows. We begin in section 2.1 by introducing a simplified version of the method for a quartic-Hamiltonian ODE. Here, we illustrate the core concept using an example of the planar quartic oscillator. Once this has been elucidated then extending the method to preserve polynomial integrals (i.e., of arbitrary degree), then multiple polynomial integrals follows straightforwardly. This is presented in sections 2.2 and 2.3, respectively. In section 2.4 we show how to develop higher-order methods and in section 2.5 we briefly discuss the connection between the proposed method and the averaged vector field method. Section 3 presents numerical examples of a Hamiltonian system, a Nambu system and the Toda lattice. Concluding remarks are given in section 4. 2 Integral-preserving numerical integration 2.1 Quartic-Hamiltonian ODEs n Let Rd[x] be the class of polynomials of degree d in the variables x 2 R . To introduce the method, we first focus our attention on an n-dimensional Hamiltonian ODE with a quartic Hamiltonian H(x) 2 R4[x] for n even. Such an ODE takes the form x_ = JrH(x); (2) 0 −I where J = I 0 , I is the identity matrix in n=2 dimensions and r is the gradient operator with respect to x. We note that the forthcoming method is applicable to ODEs with non-constant symplectic structure and in odd dimension, i.e., when J = J(x). To construct the integral preserving method, we start by introducing the quadratic auxiliary variables yi;j = xixj for j ≤ i; i = 1; :::; n 2 ~ and define what will be referred to as a reduced-degree Hamiltonian H(x; y) 2 R2[x; y] that is quadratic in the variables x and y and satisfies the consistency condition H~ (x; y(x)) = H(x): T m Here, with a slight abuse of notation, we have let y = (y1;1; y1;2; :::; yn;n−1; yn;n) 2 R denote the T m = n(n+1)=2 independent quadratic auxiliary variables and y(x) = (x1x1; x1x2; :::; xnxn−1; xnxn) (i.e., with the argument x written explicitly) denote the y variables as a function of the original phase space variables x. Using the chain rule, the ODE in these new variables now reads ! @ @y(x) T @ x_ =JrH~ (x; y) = J H~ (x; y) + H~ (x; y) := f(x; y) @x @x @y (3) @y(x) y_ = f(x; y) := g(x; y) @x We will refer to f(x; y) as the reduced-degree vector field of f(x) with respect to H~ (x; y), which also satisfies the consistency condition f(x; y(x)) = f(x). Furthermore, we will refer to the collective ODE system (3) as the extended ODE. We now make some observations. Remark 1. The extended ODE (3): (a) is of the following skew gradient form for z = (xT ; yT )T 0 T 1 @y(x) T J − J z_ = S(z)rH~ (z);S(z) = −S(z) = @ @x A : @y(x) @y(x) @y(x) T @x J @x J @x (b) has the reduced-degree Hamiltonian H~ (x; y) as first integral. This follows directly from (a). (c) possesses the m additional quadric integrals Hi;j(x; y) = xixj − yi;j; i = 1; :::; n; j ≤ i: This can be easily seen by differentiating with respect to t _ Hi;j =x _ ixj +x _ jxi − y_i;j = fi(x; y)xj + fj(x; y)xi − (fi(x; y)xj + fj(x; y)xi) = 0: (d) is solved by the solution of (2) with the initial conditions yi;j t=0 = xixj t=0. Due to remark 1d, an integral-preserving method of the ODE (3) will yield an integral-preserving method of (2) as long as the outlined initial conditions yi;j t=0 = xixj t=0 are satisfied. Moreover, ~ the m induced quadric integrals Hi;j(x; y) together with the reduced-degree Hamiltonian H(x; y) are quadratic, therefore any symplectic Runge-Kutta method (i.e., one with vanishing stability matrix [27]) will preserve all such integrals. However, numerically integrating the ODE (3) presents a significant drawback, namely that the phase space dimension has increased from n to n + m = n(n+3)=2. Due to the fact that m scales quadratically with n this quickly becomes computationally prohibitive for large n especially due to the fact all symplectic Runge-Kutta methods are implicit. 3 However, this issue can be circumvented as follows. First we implement the (symplectic) midpoint rule given by x0 − x x0 + x y0 + y = f ; ; (4) h 2 2 y0 − y x0 + x y0 + y = g ; ; (5) h 2 2 where x0 ≈ x(h) denotes the solution of the midpoint rule from initial conditions x = x(0) and similarly for y. Due to the fact that the midpoint rule preserves all quadratic invariants, we have 0 0 preservation of the induced quadric integrals Hi;j(x ; y ) = Hi;j(x; y), which is a linear equation for y0 meaning it's solution can be directly found in terms of x0 and therefore avoiding the need to 0 0 0 solve (5). That is, by substituting yi;j = xixj into (4) we are left with an n dimensional implicit equation for x0 as follows x0 − x x0 + x y(x0) + y(x) = f ; : (6) h 2 2 Doing so circumvents the issue of the increased phase space dimension, thus yielding an efficient method that preserves any quartic Hamiltonian. The method (6) will be referred to as the reduced- degree midpoint method. Remark 2. We observe that the reduced-degree midpoint method: (a) possesses a B-series with respect to the extended ODE vector field. (b) is affinely equivariant with respect to the variables (x; y). (c) is symmetric, that is, it is invariant under the transformation x $ x0 and h ! −h.