Related papers: Adding an energy-like conservation law to the leap…
We address the formulation and analysis of energy and momentum conserving time integration schemes in the context of particle dynamics, and in particular atomic systems. The article identifies three critical aspects of these models that…
We introduce an algorithm to find possible constants of motion for a given replicator equation. The algorithm is inspired by Dirac geometry and a Hamiltonian description for the replicator equations with such constants of motion, up to a…
We propose new algorithms for numerical integration of the equations of motion for classical spin systems with fixed spatial site positions. The algorithms are derived on the basis of a mid-point scheme in conjunction with the multiple time…
An algorithm is constructed which allows to express conserved flows of hyperbolic equations in terms of corresponding conserved densities and to eliminate these flows from conservation laws of hyperbolic equations. The application of this…
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…
In this paper, we generalize the exponential energy-preserving integrator proposed in the recent paper [SIAM J. Sci. Comput. 38(2016) A1876-A1895] for conservative systems, which now becomes linearly implicit by further utilizing the idea…
Molecular dynamics (MD) is a widely-used tool for simulating the molecular and materials properties. It is a common wisdom that molecular dynamics simulations should obey physical laws and, hence, lots of effort is put into ensuring that…
Reduced magnetohydrodynamics is a simplified set of magnetohydrodynamics equations with applications to both fusion and astrophysical plasmas, possessing a noncanonical Hamiltonian structure and consequently a number of conserved…
Variational integrators for Lagrangian dynamical systems provide a systematic way to derive geometric numerical methods. These methods preserve a discrete multisymplectic form as well as momenta associated to symmetries of the Lagrangian…
An extended Hamiltonian approach to conduct isothermal-isobaric molecular dynamics simulations with full cell flexibility is presented. The components of the metric tensor are used as the fictitious degrees of freedom for the cell, thus…
The 3-level leapfrog time integration algorithm is an attractive choice for numerical relativity simulations since it is time-symmetric and avoids non-physical damping. In Newtonian problems without velocity dependent forces, this method…
We explore various combinatorial problems mostly borrowed from physics, that share the property of being continuously or discretely integrable, a feature that guarantees the existence of conservation laws that often make the problems…
In this work we make use of Livens principle (sometimes also referred to as Hamilton-Pontryagin principle) in order to obtain a novel structure-preserving integrator for mechanical systems. In contrast to the canonical Hamiltonian equations…
Symplectic integrators are widely used for long-term integration of conservative astrophysical problems due to their ability to preserve the constants of motion; however, they cannot in general be applied in the presence of nonconservative…
For the linearized setting of the dynamics of complex bodies we construct variational integrators and prove their convergence by making use of BV estimates on the rate fields. We allow for peculiar substructural inertia and internal…
Gaussian process regression is increasingly applied for learning unknown dynamical systems. In particular, the implicit quantification of the uncertainty of the learned model makes it a promising approach for safety-critical applications.…
In this paper we study arbitrarily high-order energy-conserving methods for simulating the dynamics of a charged particle. They are derived and studied within the framework of Line Integral Methods (LIMs), previously used for defining…
In classical continuum mechanics, quasi-linear systems of conservation laws can be symmetrized if they admit an additional convex conservation law. In particular, this implies the hyperbolicity of governing equations. For capillary fluids,…
In this paper, an implicit nonsymplectic exact energy-preserving integrator is specifically designed for a ten-dimensional phase-space conservative Hamiltonian system with five degrees of freedom. It is based on a suitable…
In this paper, we propose a geometric integrator for nonholonomic mechanical systems. It can be applied to discrete Lagrangian systems specified through a discrete Lagrangian defined on QxQ, where Q is the configuration manifold, and a…