- Author
- Martys, N. S. | Mountain, R. D.
- Title
- Velocity Verlet Algorithm for Dissipative-Particle-Dynamics-Based Model of Suspensions.
- Coporate
- National Institute of Standards and Technology, Gaithersburg, MD
- Journal
- Physical Review E, Vol. 59, No. 3, 3733-3736, March 1999
- Keywords
- velocity | algorithms | dissipation | equations | conservation | water
- Identifiers
- dissipative particle dynamics; molecular dynamics; quanternions; suspensions; velocity verlet
- 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.