Computational efficiency of numerical integration methods for the tangent dynamics of many-body Hamiltonian systems in one and two spatial dimensions

DOI10.3934/MINE.2019.3.447zbMATH Open1435.82050arXiv1812.01870OpenAlexW2903007738WikidataQ127747455 ScholiaQ127747455MaRDI QIDQ2305083FDOQ2305083

Authors: Carlo Danieli, Bertin Many Manda, Thudiyangal Mithun, Ch. Skokos 

Publication date: 10 March 2020

Published in: Mathematics in Engineering (Search for Journal in Brave)

Abstract: We investigate the computational performance of various numerical methods for the integration of the equations of motion and the variational equations for some typical classical many-body models of condensed matter physics: the Fermi-Pasta-Ulam-Tsingou (FPUT) chain and the one- and two-dimensional disordered, discrete nonlinear Schr"odinger equations (DDNLS). In our analysis we consider methods based on Taylor series expansion, Runge-Kutta discretization and symplectic transformations. The latter have the ability to exactly preserve the symplectic structure of Hamiltonian systems, which results in keeping bounded the error of the system's computed total energy. We perform extensive numerical simulations for several initial conditions of the studied models and compare the numerical efficiency of the used integrators by testing their ability to accurately reproduce characteristics of the systems' dynamics and quantify their chaoticity through the computation of the maximum Lyapunov exponent. We also report the expressions of the implemented symplectic schemes and provide the explicit forms of the used differential operators. Among the tested numerical schemes the symplectic integrators $ABA864$ and $SRK{N}_{14}^a$ exhibit the best performance, respectively for moderate and high accuracy levels in the case of the FPUT chain, while for the DDNLS models $s9mathcalABC6$ and $s11mathcalABC6$ (moderate accuracy), along with $s17mathcalABC8$ and $s19mathcalABC8$ (high accuracy) proved to be the most efficient schemes.

Full work available at URL: https://arxiv.org/abs/1812.01870

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zbMATH Keywords

optimizationLyapunov exponentordinary differential equationscomputational efficiencysymplectic integratorsvariational equationsclassical many-body systems

Mathematics Subject Classification ID

Numerical optimization and variational techniques (65K10) NLS equations (nonlinear Schrödinger equations) (35Q55) Multistep, Runge-Kutta and extrapolation methods for ordinary differential equations (65L06) Numerical methods for Hamiltonian systems including symplectic integrators (65P10) Many-body theory; quantum Hall effect (81V70) Disordered systems (random Ising models, random Schrödinger operators, etc.) in equilibrium statistical mechanics (82B44) Characteristic and Lyapunov exponents of ordinary differential equations (34D08) Computational molecular dynamics in statistical mechanics (82M37)

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Cited In (9)

• Dynamical chaos in the integrable Toda chain induced by time discretization
• Effect of discrete breathers on the specific heat of a nonlinear chain
• Identifying localized and spreading chaos in nonlinear disordered lattices by the generalized alignment index (GALI) method
• Efficient integration of the variational equations of multidimensional Hamiltonian systems: application to the Fermi-Pasta-Ulam lattice
• Hamiltonian lattice dynamics
• Wave-packet spreading in disordered soft architected structures
• Frequency Map Analysis of Spatiotemporal Chaos in the Nonlinear Disordered Klein–Gordon Lattice
• Effective computation of the dynamics around a two-dimensional torus of a Hamiltonian system
• Fast numerical computation of quasi-periodic equilibrium states in 1D statistical mechanics, including twist maps

Uses Software

• Matlab
• TIDES

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