Geometric generalisations of SHAKE and RATTLE
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Numerical methods for differential-algebraic equations (65L80) Numerical methods for Hamiltonian systems including symplectic integrators (65P10) Discretization methods and integrators (symplectic, variational, geometric, etc.) for dynamical systems (37M15) Constrained dynamics, Dirac's theory of constraints (70H45)
Abstract: A geometric analysis of the Shake and Rattle methods for constrained Hamiltonian problems is carried out. The study reveals the underlying differential geometric foundation of the two methods, and the exact relation between them. In addition, the geometric insight naturally generalises Shake and Rattle to allow for a strictly larger class of constrained Hamiltonian systems than in the classical setting. In order for Shake and Rattle to be well defined, two basic assumptions are needed. First, a nondegeneracy assumption, which is a condition on the Hamiltonian, i.e., on the dynamics of the system. Second, a coisotropy assumption, which is a condition on the geometry of the constrained phase space. Non-trivial examples of systems fulfilling, and failing to fulfill, these assumptions are given.
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Cites work
- scientific article; zbMATH DE number 4048539 (Why is no real title available?)
- scientific article; zbMATH DE number 50101 (Why is no real title available?)
- scientific article; zbMATH DE number 1300852 (Why is no real title available?)
- Geometric Numerical Integration
- Lie-Poisson Hamilton-Jacobi theory and Lie-Poisson integrators
- On Coisotropic Imbeddings of Presymplectic Manifolds
- Presymplectic manifolds and the Dirac–Bergmann theory of constraints
- RATTLE: A velocity version of the SHAKE algorithm for molecular dynamics calculations
- Simulating Hamiltonian Dynamics
- Solving Ordinary Differential Equations I
- Symplectic Integration of Constrained Hamiltonian Systems by Composition Methods
- Symplectic Partitioned Runge–Kutta Methods for Constrained Hamiltonian Systems
- Symplectic integrators for index 1 constraints
- Symplectic numerical integrators in constrained Hamiltonian systems
Cited in
(13)- Geometrical aspects of rapid vibrations and rotations
- Projected exponential Runge-Kutta methods for preserving dissipative properties of perturbed constrained Hamiltonian systems
- Geometry of discrete-time spin systems
- Solving constrained mechanical systems by the family of Newmark and α-methods
- Multisymplectic discretization of wave map equations
- A numerical damped oscillator approach to constrained Schrödinger equations
- Dynamical representations of constrained multicomponent nonlinear Schrödinger equations in arbitrary dimensions
- Lie-Poisson methods for isospectral flows
- A minimal-variable symplectic integrator on spheres
- Variational discretizations of gauge field theories using group-equivariant interpolation
- Construction and analysis of higher order variational integrators for dynamical systems with holonomic constraints
- Staying the course: iteratively locating equilibria of dynamical systems on Riemannian manifolds defined by point-clouds
- Retraction maps: a seed of geometric integrators
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