Structure-preserving algorithms for guiding center dynamics based on the slow manifold of classical Pauli particle

The classical Pauli particle(CPP) serves as a slow manifold, substituting the conventional guiding center dynamics. Based on the CPP, we utilize the averaged vector field(AVF) method in the computations of drift orbits. Demonstrating significantly higher efficiency, this advanced method is capable of accomplishing the simulation in less than one-third of the time of directly computing the guiding center motion. In contrast to the CPP-based Boris algorithm, this approach inherits the advantages of the AVF method, yielding stable trajectories even achieved with a tenfold time step and reducing the energy error by two orders of magnitude. By comparing these two CPP algorithms with the traditional RK4 method, the numerical results indicate a remarkable performance in terms of both the computational efficiency and error elimination. Moreover, we verify the properties of slow manifold integrators and successfully observe the bounce on both sides of the limiting slow manifold with deliberately chosen perturbed initial conditions. To evaluate the practical value of the methods, we conduct simulations in non-axisymmetric perturbation magnetic fields as part of the experiments,demonstrating that our CPP-based AVF method can handle simulations under complex magnetic field configurations with high accuracy, which the CPP-based Boris algorithm lacks. Through numerical experiments, we demonstrate that the CPP can replace guiding center dynamics in using energy-preserving algorithms for computations, providing a new, efficient, as well as stable approach for applying structure-preserving algorithms in plasma simulations.

Structure-preserving properties of Strmer-Verlet scheme for mathematical pendulum

The structure-preserving property, in both the time domain and the frequency domain, is an important index for evaluating validity of a numerical method. Even in the known structure-preserving methods such as the symplectic method, the inherent conser- vation law in the frequency domain is hardly conserved. By considering a mathematical pendulum model, a Stormer-Verlet scheme is first constructed in a Hamiltonian frame- work. The conservation law of the StSrmer-Verlet scheme is derived, including the total energy expressed in the time domain and periodicity in the frequency domain. To track the structure-preserving properties of the Stormer-Verlet scheme associated with the con- servation law, the motion of the mathematical pendulum is simulated with different time step lengths. The numerical results illustrate that the StSrmer-Verlet scheme can preserve the total energy of the model but cannot preserve periodicity at all. A phase correction is performed for the StSrmer-Verlet scheme. The results imply that the phase correction can improve the conservative property of periodicity of the Stormer-Verlet scheme.

Dynamic symmetry breaking and structure-preserving analysis on thelongitudinal wave in an elastic rod with a variable cross-section

The longitudinal wave propagating in an elastic rod with a variable cross-section owns wide engineering background,in which the longitudinal wave dissipation determines some important performances of the slender structure.To reproduce the longitudinal wave dissipation effects on an elastic rod with a variable cross-section,a structure-preserving approach is developed based on the dynamic symmetry breaking theory.For the dynamic model controlling the longitudinal wave propagating in the elastic rod with the variable cross-section,the approximate multi-symplectic form is deduced based on the multi-symplectic method,and the expression of the local energy dissipation for the longitudinal wave propagating in the rod is presented,referring to the dynamic symmetry breaking theory.A structure-preserving method focusing on the residual of the multi-symplectic structure and the local energy dissipation of the dynamic model is constructed by using the midpoint difference discrete method.The longitudinal wave propagating in an elastic rod fixed at one end is simulated,and the local/total energy dissipations of the longitudinal wave are investigated by the constructed structure-preserving scheme in two typical cases in detail.

Structure-preserving properties of three differential schemes for oscillator system

A numerical method for the Hamiltonian system is required to preserve some structure-preserving properties. The current structure-preserving method satisfies the requirements that a symplectic method can preserve the symplectic structure of a finite dimension Hamiltonian system, and a multi-symplectic method can preserve the multi-symplectic structure of an infinite dimension Hamiltonian system. In this paper, the structure-preserving properties of three differential schemes for an oscillator system are investigated in detail. Both the theoretical results and the numerical results show that the results obtained by the standard forward Euler scheme lost all the three geometric properties of the oscillator system, i.e., periodicity, boundedness, and total energy, the symplectic scheme can preserve the first two geometric properties of the oscillator system, and the St？rmer-Verlet scheme can preserve the three geometric properties of the oscillator system well. In addition, the relative errors for the Hamiltonian function of the symplectic scheme increase with the increase in the step length, suggesting that the symplectic scheme possesses good structure-preserving properties only if the step length is small enough.

Structure-preserving algorithms for the Duffng equation

In this paper, the dissipative and the forced terms of the Duffing equation are considered as the perturbations of nonlinear Hamiltonian equations and the perturbational effect is indicated by parameter ε. Firstly, based on the gradient- Hamiltonian decomposition theory of vector fields, by using splitting methods, this paper constructs structure-preserving algorithms （SPAs） for the Duffing equation. Then, according to the Liouville formula, it proves that the Jacobian matrix determinants of the SPAs are equal to that of the exact flow of the Duffing equation. However, considering the explicit Runge Kutta methods, this paper finds that there is an error term of order p＋l for the Jacobian matrix determinants. The volume evolution law of a given region in phase space is discussed for different algorithms, respectively. As a result, the sum of Lyapunov exponents is exactly invariable for the SPAs proposed in this paper. Finally, through numerical experiments, relative norm errors and absolute energy errors of phase trajectories of the SPAs and the Heun method （a second-order Runge-Kutta method） are compared. Computational results illustrate that the SPAs are evidently better than the Heun method when e is small or equal to zero.

Structure-preserving approach for infinite dimensional nonconservative system

The current structure-preserving theory, including the symplectic method and the multisymplectic method, pays most attention on the conservative properties of the continuous systems because that the conservative properties of the conservative systems can be formulated in the mathematical form. But, the nonconservative characteristics are the nature of the systems existing in engineering. In this letter, the structure-preserving approach for the infinite dimensional nonconservative systems is proposed based on the generalized multi-symplectic method to broaden the application fields of the current structure-preserving idea. In the numerical examples,two nonconservative factors, including the strong excitation on the string and the impact on the cantilever, are considered respectively. The vibrations of the string and the cantilever are investigated by the structure-preserving approach and the good long-time numerical behaviors as well as the high numerical precision of which are illustrated by the numerical results presented.

Structure-preserving geometric particle-in-cell methods for Vlasov-Maxwell systems

Recent development of structure-preserving geometric particle-in-cell （PIC） algorithms for Vlasov-Maxwell systems is summarized. With the arrival of 100 petaflop and exaflop computing power, it is now possible to carry out direct simulations of multi-scale plasma dynamics based on first-principles. However, standard algorithms currently adopted by the plasma physics community do not possess the long-term accuracy and fidelity required for these large-scale simulations. This is because conventional simulation algorithms are based on numerically solving the underpinning differential （or integro-differential） equations, and the algorithms used in general do not preserve the geometric and physical structures of the systems, such as the local energy-momentum conservation law, the symplectic structure, and the gauge symmetry. As a consequence, numerical errors accumulate coherently with time and long-term simulation results are not reliable. To overcome this difficulty and to harness the power of exascale computers, a new generation of structure-preserving geometric PIC algorithms have been developed. This new generation of algorithms utilizes modem mathematical techniques, such as discrete manifolds, interpolating differential forms, and non-canonical symplectic integrators, to ensure gauge symmetry, space-time symmetry and the conservation of charge, energy-momentum, and the symplectic structure. These highly desired properties are difficult to achieve using the conventional PIC algorithms. In addition to summarizing the recent development and demonstrating practical implementations, several new results are also presented, including a structure-preserving geometric relativistic PIC algorithm, the proof of the correspondence between discrete gauge symmetry and discrete charge conservation law, and a reformulation of the explicit non-canonical symplectic algorithm for the discrete Poisson bracket using the variational approach. Numerical examples are given to verify the advantages of the structure- preserving geometric PIC algorithms in comparison with the conventional PIC methods.

A structure-preserving algorithm for time-scale non-shiftedHamiltonian systems

The variational calculus of time-scale non-shifted systems includes both the traditional continuous and traditional significant discrete variational calculus.Not only can the combination ofand∇derivatives be beneficial to obtaining higher convergence order in numerical analysis,but also it prompts the timescale numerical computational scheme to have good properties,for instance,structure-preserving.In this letter,a structure-preserving algorithm for time-scale non-shifted Hamiltonian systems is proposed.By using the time-scale discrete variational method and calculus theory,and taking a discrete time scale in the variational principle of non-shifted Hamiltonian systems,the corresponding discrete Hamiltonian principle can be obtained.Furthermore,the time-scale discrete Hamilton difference equations,Noether theorem,and the symplectic scheme of discrete Hamiltonian systems are obtained.Finally,taking the Kepler problem and damped oscillator for time-scale non-shifted Hamiltonian systems as examples,they show that the time-scale discrete variational method is a structure-preserving algorithm.The new algorithm not only provides a numerical method for solving time-scale non-shifted dynamic equations but can be calculated with variable step sizes to improve the computational speed.

Structure-preserving algorithms for autonomous Birkhoffian systems

The Pfaff-Birkhoff variational principle is discretized, and based on the discrete variational principle the discrete Birkhoffian equations are obtained. Taking the discrete equations as an algorithm, the corresponding discrete flow is proved to be symplectic. That means the algorithm preserves the symplectic structure of Birkhofflan systems. Finally, simulation results of the given example indicate that structure-preserving algorithms have great advantage in stability and energy conserving.

A LINEARLY-IMPLICIT STRUCTURE-PRESERVING EXPONENTIAL TIME DIFFERENCING SCHEME FOR HAMILTONIAN PDEs

In the paper,we propose a novel linearly implicit structure-preserving algorithm,which is derived by combing the invariant energy quadratization approach with the exponential time differencing method,to construct efficient and accurate time discretization scheme for a large class of Hamiltonian partial differential equations(PDEs).The proposed scheme is a linear system,and can be solved more efficient than the original energy-preserving ex-ponential integrator scheme which usually needs nonlinear iterations.Various experiments are performed to verify the conservation,efficiency and good performance at relatively large time step in long time computations.

A Structure-Preserving JKO Scheme for the SizeModified Poisson-Nernst-Planck-Cahn-Hilliard Equations

In this paper,we propose a structure-preserving numerical scheme for the size-modified Poisson-Nernst-Planck-Cahn-Hilliard(SPNPCH)equations derived from the free energy including electrostatic energies,entropies,steric energies,and Cahn-Hilliard mixtures.Based on the Jordan-Kinderlehrer-Otto(JKO)framework and the Benamou-Brenier formula of quadratic Wasserstein distance,the SPNPCH equations are transformed into a constrained optimization problem.By exploiting the convexity of the objective function,we can prove the existence and uniqueness of the numerical solution to the optimization problem.Mass conservation and unconditional energy-dissipation are preserved automatically by this scheme.Furthermore,by making use of the singularity of the entropy term which keeps the concentration from approaching zero,we can ensure the positivity of concentration.To solve the optimization problem,we apply the quasi-Newton method,which can ensure the positivity of concentration in the iterative process.Numerical tests are performed to confirm the anticipated accuracy and the desired physical properties of the developed scheme.Finally,the proposed scheme can also be applied to study the influence of ionic sizes and gradient energy coefficients on ion distribution.

A Convergence Analysis of a Structure-Preserving Gradient Flow Method for the All-Electron Kohn-Sham Model

In[Dai et al.,Multi.Model.Simul.18(4)(2020)],a structure-preserving gradient flow method was proposed for the ground state calculation in Kohn-Sham density functional theory,based on which a linearized method was developed in[Hu et al.,EAJAM.13(2)(2023)]for further improving the numerical efficiency.In this paper,a complete convergence analysis is delivered for such a linearized method for the all-electron Kohn-Sham model.Temporally,the convergence,the asymptotic stability,as well as the structure-preserving property of the linearized numerical scheme in the method is discussed following previous works,while spatially,the convergence of the h-adaptive mesh method is demonstrated following[Chen et al.,Multi.Model.Simul.12(2014)],with a key study on the boundedness of the Kohn-Sham potential for the all-electron Kohn-Sham model.Numerical examples confirm the theoretical results very well.

A Structure-Preserving Numerical Method for the Fourth-Order Geometric Evolution Equations for Planar Curves

For fourth-order geometric evolution equations for planar curves with the dissipation of the bending energy,including the Willmore and the Helfrich flows,we consider a numerical approach.In this study,we construct a structure-preserving method based on a discrete variational derivative method.Furthermore,to prevent the vertex concentration that may lead to numerical instability,we discretely introduce Deckelnick’s tangential velocity.Here,a modification term is introduced in the process of adding tangential velocity.This modified term enables the method to reproduce the equations’properties while preventing vertex concentration.Numerical experiments demonstrate that the proposed approach captures the equations’properties with high accuracy and avoids the concentration of vertices.

LOCAL STRUCTURE-PRESERVING ALGORITHMS FOR THE KDV EQUATION

In this paper, based on the concatenating method, we present a unified framework to construct a series of local structure-preserving algorithms for the Korteweg-de Vries （KdV） equation, including eight multi-symplectic algorithms, eight local energy-conserving algo- rithms and eight local momentum-conserving algorithms. Among these algorithms, some have been discussed and widely used while the most are new. The outstanding advantage of these proposed algorithms is that they conserve the local structures in any time-space re- gion exactly. Therefore, the local structure-preserving algorithms overcome the restriction of global structure-preserving algorithms on the boundary conditions. Numerical experiments are conducted to show the performance of the proposed methods. Moreover, the unified framework can be easily applied to many other equations.

THE STRUCTURE-PRESERVING METHODS FOR THE DEGASPERIS-PROCESI EQUATION

This paper gives several structure-preserving schemes for the Degasperis-Procesi equation which has bi-Hamiltonian structures consisted of both complex and non-local Hamiltonian differential operators. For this sake, few structure-preserving schemes have been proposed so far. In our work, based on one of the bi-Hamiltonian structures, a symplectic scheme and two new energy-preserving schemes are constructed. The symplecticity comes straightly from the application of the implicit midpoint method on the semi-discrete system which is proved to remain Hamiltonian, while the energy conservation is derived by the combination of the averaged vector field method of second and fourth order, respectively. Some numerical results are presented to show that the three schemes do have the advantages in numerical stability, accuracy in long time computing and ability to preserve the invariants of the DP equation.

Structure-preserving Analysis on Folding and Unfolding Process of Undercarriage

ABSTRACT The main idea of the structure-preserving method is to preserve the intrinsic geo- metric properties of the continuous system as much as possible in numerical algorithm design. The geometric constraint in the multi-body systems, one of the difficulties in the numerical methods that are proposed for the multi-body systems, can also be regarded as a geometric property of the multi-body systems. Based on this idea, the symplectic precise integration method is applied in this paper to analyze the kinematics problem of folding and unfolding process of nose under- carriage. The Lagrange governing equation is established for the folding and unfolding process of nose undercarriage with the generalized defined displacements firstly. And then, the constrained Hamiltonian canonical form is derived from the Lagrange governing equation based on the Hamil- tonian variational principle. Finally, the symplectic precise integration scheme is used to simulate the kinematics process of nose undercarriage during folding and unfolding described by the con- strained Hamiltonian canonical formulation. From the numerical results, it can be concluded that the geometric constraint of the undercarriage system can be preserved well during the numerical simulation on the folding and unfolding process of undercarriage using the symplectic precise integration method.

Novel Conformal Structure-Preserving Algorithms for Coupled Damped Nonlinear Schr odinger System

This paper introduces two novel conformal structure-preserving algorithms for solving the coupled damped nonlinear Schr¨odinger(CDNLS)system,which are based on the conformal multi-symplectic Hamiltonian formulation and its conformal conservation laws.The proposed algorithms can preserve corresponding conformal multi-symplectic conservation lawand conformalmomentum conservation lawin any local time-space region,respectively.Moreover,it is further shown that the algorithms admit the conformal charge conservation law,and exactly preserve the dissipation rate of charge under appropriate boundary conditions.Numerical experiments are presented to demonstrate the conformal properties and effectiveness of the proposed algorithms during long-time numerical simulations and validate the analysis.

STRUCTURE-PRESERVING ALGORITHMS FOR DYNAMICAL SYSTEMS

Presents a study which examined the structure-preserving algorithms to phase space volume for linear dynamical systems. Preservation of phase space volume for source-free dynamical systems; Description of a volume-preserving scheme for linear system with canonical form; Information on structure-preserving schemes for linear dynamical systems.

A Review on Stochastic Multi-symplectic Methods for Stochastic Maxwell Equations

Stochastic multi-symplectic methods are a class of numerical methods preserving the discrete stochastic multi-symplectic conservation law. These methods have the remarkable superiority to conventional numerical methods when applied to stochastic Hamiltonian partial differential equations (PDEs), such as long-time behavior, geometric structure preserving, and physical properties preserving. Stochastic Maxwell equations driven by either additive noise or multiplicative noise are a system of stochastic Hamiltonian PDEs intrinsically, which play an important role in fields such as stochastic electromagnetism and statistical radiophysics. Thereby, the construction and the analysis of various numerical methods for stochastic Maxwell equations which inherit the stochastic multi-symplecticity, the evolution laws of energy and divergence of the original system are an important and promising subject. The first stochastic multi-symplectic method is designed and analyzed to stochastic Maxwell equations by Hong et al.(A stochastic multi-symplectic scheme for stochastic Maxwell equations with additive noise. J. Comput. Phys. 268:255-268, 2014). Subsequently, there have been developed various stochastic multi-symplectic methods to solve stochastic Maxwell equations. In this paper, we make a review on these stochastic multi-symplectic methods for solving stochastic Maxwell equations driven by a stochastic process. Meanwhile, the theoretical results of well-posedness and conservation laws of the stochastic Maxwell equations are included.

Numerical Approximation of Port-Hamiltonian Systems for Hyperbolic or Parabolic PDEs with Boundary Control

We consider the design of structure-preserving discretization methods for the solution of systems of boundary controlled Partial Differential Equations (PDEs) thanks to the port-Hamiltonian formalism. We first provide a novel general structure of infinite-dimensional port-Hamiltonian systems (pHs) for which the Partitioned Finite Element Method (PFEM) straightforwardly applies. The proposed strategy is applied to abstract multidimensional linear hyperbolic and parabolic systems of PDEs. Then we show that instructional model problems based on the wave equation, Mindlin equation and heat equation fit within this unified framework. Secondly, we introduce the ongoing project SCRIMP (Simulation and Control of Interactions in Multi-Physics) developed for the numerical simulation of infinite-dimensional pHs. SCRIMP notably relies on the FEniCS open-source computing platform for the finite element spatial discretization. Finally, we illustrate how to solve the considered model problems within this framework by carefully explaining the methodology. As additional support, companion interactive Jupyter notebooks are available.