Of pendulums, polymers, and robots: Computational mechanics with constraints
- Author(s)
- Franz J. Vesely
- Abstract
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(s)
- Computational and Soft Matter Physics
- Journal
- American Journal of Physics
- Volume
- 81
- Pages
- 537-544
- No. of pages
- 8
- ISSN
- 0002-9505
- DOI
- https://doi.org/10.1119/1.4803533
- Publication date
- 07-2013
- Peer reviewed
- Yes
- Austrian Fields of Science 2012
- 103008 Experimental physics, 103018 Materials physics
- Keywords
- Portal url
- https://ucrisportal.univie.ac.at/en/publications/3c598e9e-12eb-4030-927f-f68bf2ea8bb2