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This work presents a novel formulation and numerical strategy for the simulation of geometrically nonlinear structures. First, a non-canonical Hamiltonian (Poisson) formulation is introduced by including the dynamics of the stress tensor.…

Numerical Analysis · Mathematics 2025-10-27 Andrea Brugnoli , Denis Matignon , Joseph Morlier

When simulating molecular systems using deterministic equations of motion (e.g., Newtonian dynamics), such equations are generally numerically integrated according to a well-developed set of algorithms that share commonly agreed-upon…

Computational Physics · Physics 2014-08-08 David A. Sivak , John D. Chodera , Gavin E. Crooks

In this note we approach the classical, Newtonian, gravitational $N$-body problem by mean of a new, original numerical integration method. After a short summary of the fundamental characteristics of the problem, including a sketch of some…

Computational Physics · Physics 2020-01-08 V. Parisi , R. Capuzzo-Dolcetta

Most numerical methods for time integration use real time steps. Complex time steps provide an additional degree of freedom, as we can select the magnitude of the step in both the real and imaginary directions. By time stepping along…

Numerical Analysis · Mathematics 2022-12-06 Jithin D. George , Samuel Y. Jung , Niall M. Mangan

We address the problem of constructing numerical integrators for nonholonomic Lagrangian systems that enjoy appropriate discrete versions of the geometric properties of the continuous flow, including the preservation of energy. Building on…

Numerical Analysis · Mathematics 2025-10-20 Jorge Cortes

We propose a fast integrator to a class of dynamical systems with several temporal scales. The proposed method is developed as an extension of the variable step size Heterogeneous Multiscale Method (VSHMM), which is a two-scale integrator…

Numerical Analysis · Mathematics 2015-10-21 Yoonsang Lee , Bjorn Engquist

We propose new local error estimators for splitting and composition methods. They are based on the construction of lower order schemes obtained at each step as a linear combination of the intermediate stages of the integrator, so that the…

Numerical Analysis · Mathematics 2019-10-29 Sergio Blanes , Fernando Casas , Mechthild Thalhammer

First-order variational equations are widely used in N-body simulations to study how nearby trajectories diverge from one another. These allow for efficient and reliable determinations of chaos indicators such as the Maximal Lyapunov…

Earth and Planetary Astrophysics · Physics 2016-03-23 Hanno Rein , Daniel Tamayo

We present a new implementation of the numerical integration of the classical, gravitational, N-body problem based on a high order Hermite's integration scheme with block time steps, with a direct evaluation of the particle-particle forces.…

Instrumentation and Methods for Astrophysics · Physics 2015-06-05 R. Capuzzo-Dolcetta , M. Spera , D. Punzo

An accurate and efficient method dealing with the few-body dynamics is important for simulating collisional N-body systems like star clusters and to follow the formation and evolution of compact binaries. We describe such a method which…

Earth and Planetary Astrophysics · Physics 2020-02-21 Long Wang , Keigo Nitadori , Junichiro Makino

We implement several symplectic integrators, which are based on two part splitting, for studying the chaotic behavior of one- and two-dimensional disordered Klein-Gordon lattices with many degrees of freedom and investigate their numerical…

Computational Physics · Physics 2018-11-14 B. Senyange , Ch. Skokos

Hybrid particle-field molecular dynamics combines standard molecular potentials with density-field models into a computationally efficient methodology that is well-adapted for the study of mesoscale soft matter systems. Here, we introduce a…

Computational Physics · Physics 2020-07-06 Sigbjørn Løland Bore , Michele Cascella

This article presents a new numerical scheme for the discretization of dissipative particle dynamics with conserved energy. The key idea is to reduce elementary pairwise stochastic dynamics (either fluctuation/dissipation or thermal…

Statistical Mechanics · Physics 2017-04-26 Gabriel Stoltz

The equations of motion of a single particle subject to an arbitrary electric and a static magnetic field form a Poisson system. We present a second-order time integration method which preserves well the Poisson structure and compare it to…

Numerical Analysis · Mathematics 2016-01-06 Christian Knapp , Alexander Kendl , Antti Koskela , Alexander Ostermann

Variational time integrators are derived in the context of discrete mechanical systems. In this area, the governing equations for the motion of the mechanical system are built following two steps: (a) Postulating a discrete action; (b)…

Computational Physics · Physics 2018-05-04 Leandro Tavares da Silva , Gilson Antonio Giraldi

To date, the second-order post-Newtonian (2PN) Hamiltonian has been known in closed analytic form only for systems of up to three point masses. In this paper, we present an analytic expression for the general $N$-body 2PN Hamiltonian in the…

General Relativity and Quantum Cosmology · Physics 2026-02-09 Felix M. Heinze , Gerhard Schäfer , Bernd Brügmann

We suggest a numerical integration procedure for solving the equations of motion of certain classical spin systems which preserves the underlying symplectic structure of the phase space. Such symplectic integrators have been successfully…

Statistical Mechanics · Physics 2007-05-23 Robin Steinigeweg , Heinz-Jürgen Schmidt

Discrete Element Methods (DEM), i.e.~the simulation of many rigid particles, suffer from very stiff differential equations plus multiscale challenges in space and time. The particles move smoothly through space until they interact almost…

Mathematical Software · Computer Science 2023-09-28 Peter Noble , Tobias Weinzierl

Phase fitting has been extensively used during the last years to improve the behaviour of numerical integrators on oscillatory problems. In this work, the benefits of the phase fitting technique are embedded in discrete Lagrangian…

Mathematical Physics · Physics 2015-05-13 O. T. Kosmas , D. S. Vlachos

In this work, the benefits of the phase fitting technique are embedded in high order discrete Lagrangian integrators. The proposed methodology creates integrators with zero phase lag in a test Lagrangian in a similar way used in phase…

Instrumentation and Methods for Astrophysics · Physics 2009-04-02 O. T. Kosmas , D. S. Vlachos
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