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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