Martys, N.
and Mountain, R.
(1999),
Velocity Verlet Algorithm for Dissipative Particle-Dynamics-Based Models of Suspensions, Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), [online], https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=860163
(Accessed April 25, 2024)
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Velocity Verlet Algorithm for Dissipative Particle-Dynamics-Based Models of Suspensions
Published
Author(s)
,
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 [Comput. Phys. 12, 97 (1998)]. 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 liquid water. We also describe a method for evaluating the stress tensor for a system of rigid bodies that is consistent with the velocity Verlet algorithm. Results are compared to a constraint-based rattle algorithm of Anderson.Citation
Physical Review E (Statistical, Nonlinear, and Soft Matter Physics)
Volume
59
Issue
No. 3
Pub Type
Journals
Download Paper
Keywords
dissipative particle dynamics, molecular dynamics, quaternions, suspensions, velocity verlet
Citation
Created March 1, 1999, Updated February 19, 2017