Of pendulums, polymers, and robots: Computational mechanics with constraints

Autor(en)

Franz J. Vesely

Abstrakt

The motion of point masses under the influence of a potential can be computed by simple methods. However, if the trajectories are restricted by mechanical constraints such as strings, rails, crankshafts, and molecular bonds, special numerical techniques must be invoked. The need for efficient computational strategies is particularly pressing for molecular simulations, where large systems of compound molecules are tracked. The best strategy is the use of Cartesian coordinates in combination with constraint forces in the Lagrange formulation. This approach has led to the extremely successful SHAKE and RATTLE algorithms. The same ideas may be profitably applied in very different fields such as robotics, mechanics, and geometry, and the study of chaos in simple systems.

Organisation(en)

Computergestützte Physik und Physik der Weichen Materie

Journal

American Journal of Physics

Band

81

Seiten

537-544

Anzahl der Seiten

8

ISSN

0002-9505

DOI

https://doi.org/10.1119/1.4803533

Publikationsdatum

07-2013

Peer-reviewed

Ja

ÖFOS 2012

103008 Experimentalphysik, 103018 Materialphysik

Schlagwörter

Link zum Portal

https://ucrisportal.univie.ac.at/de/publications/3c598e9e-12eb-4030-927f-f68bf2ea8bb2