Velocity Verlet algorithm for dissipative-particle-dynamics-based models of suspensions

Citation
Ns. Martys et Rd. Mountain, Velocity Verlet algorithm for dissipative-particle-dynamics-based models of suspensions, PHYS REV E, 59(3), 1999, pp. 3733-3736
Citations number
16
Categorie Soggetti
Physics
Journal title
PHYSICAL REVIEW E
ISSN journal
1063651X → ACNP
Volume
59
Issue
3
Year of publication
1999
Part
B
Pages
3733 - 3736
Database
ISI
SICI code
1063-651X(199903)59:3<3733:VVAFDM>2.0.ZU;2-L
Abstract
A velocity Verlet algorithm for velocity dependent forces is described for modeling a suspension of rigid body inclusions. The rigid body motion is de termined from the quaternion-based scheme of Omelyan [Comput. Phys. 12, 97 (1998)]. An iterative method to determine angular velocity in a self-consis tent fashion for this quaternion-based algorithm is presented. This method is tested for the case of liquid water. We also describe a method for evalu ating the stress tensor for a system of rigid bodies that is consistent wit h the velocity Verlet alogorithm. Results are compared to the constraint-ba sed rattle algorithm of Anderson [J. Comput. Phys. 52, 24 (1993)]. [S1063-6 51X(99) 13203-3].