Numerical implementation of the exact dynamics of free rigid bodies

  • Authors:
  • Ramses van Zon;Jeremy Schofield

  • Affiliations:
  • Chemical Physics Theory Group, Department of Chemistry, University of Toronto, 80 Saint George Street, Toronto, ON, Canada M5S 3H6;Chemical Physics Theory Group, Department of Chemistry, University of Toronto, 80 Saint George Street, Toronto, ON, Canada M5S 3H6

  • Venue:
  • Journal of Computational Physics
  • Year:
  • 2007

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Abstract

In this paper the exact analytical solution of the motion of a rigid body with arbitrary mass distribution is derived in the absence of forces or torques. The resulting expressions are cast into a form where the dependence of the motion on initial conditions is explicit and the equations governing the orientation of the body involve only real numbers. Based on these results, an efficient method to calculate the location and orientation of the rigid body at arbitrary times is presented. This implementation can be used to verify the accuracy of numerical integration schemes for rigid bodies, to serve as a building block for event-driven discontinuous molecular dynamics simulations of general rigid bodies, and for constructing symplectic integrators for rigid body dynamics.