A Time-Reversible Variable-Stepsize Integrator for Constrained Dynamics

DOI10.1137/S1064827596314194zbMath0954.65089MaRDI QIDQ4942062

Sebastian Reich, Benedict J. Leimkuhler, Eric Barth

Publication date: 20 March 2000

Published in: SIAM Journal on Scientific Computing (Search for Journal in Brave)

zbMATH Keywords

Euler-Lagrange equations; symplectic methods; molecular dynamics; long-term stability; Verlet; adaptive timestepping; leapfrog; rod model; nonlinear elastic dynamics; time-reversible methods; holonomically constrained Hamiltonian systems; SNAKE discretization; variable-stepsize methods

Mathematics Subject Classification ID

74K10: Rods (beams, columns, shafts, arches, rings, etc.)

74B20: Nonlinear elasticity

74S20: Finite difference methods applied to problems in solid mechanics

65L05: Numerical methods for initial value problems involving ordinary differential equations

65L06: Multistep, Runge-Kutta and extrapolation methods for ordinary differential equations

65P10: Numerical methods for Hamiltonian systems including symplectic integrators

70F20: Holonomic systems related to the dynamics of a system of particles

65L50: Mesh generation, refinement, and adaptive methods for ordinary differential equations

37M15: Discretization methods and integrators (symplectic, variational, geometric, etc.) for dynamical systems

Related Items

An Iterative Variable-timestep Algorithm for Molecular Dynamics Simulations, Explicit variable step-size and time-reversible integration, Asynchronous variational contact mechanics, WIGGLE: a new constrained molecular dynamics algorithm in Cartesian coordinates