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Velocity Verlet Algorithm for Dissipative-Particle-Dynamics-Based Model of Suspensions.


pdf icon Velocity Verlet Algorithm for Dissipative-Particle-Dynamics-Based Model of Suspensions. (402 K)
Martys, N. S.; Mountain, R. D.

Physical Review E, Vol. 59, No. 3, 3733-3736, March 1999.

Keywords:

velocity; algorithms; dissipation; equations; conservation; water

Abstract:

A velocity Verlet algorithm for velocity dependent forces is described for modeling a suspension of rigid body inclusions. The rigid body motion is determined from the quaternion based scheme of Omelyan. An iterative method to determine angular velocity in a self consistent fashion for this quaternion based algorithm is presented. This method is tested for the case of H2O. We also describe a method for evaluating the stress tensor for a system of rigid bodies that is consistent with the velocity Verlet alogorithm. Results are compared to a constraint based algorithm.