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Velocity Verlet Algorithm for Dissipative Particle-Dynamics-Based Models of Suspensions

Published

Author(s)

Nicos Martys, Raymond D. Mountain

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

Keywords

dissipative particle dynamics, molecular dynamics, quaternions, suspensions, velocity verlet

Citation

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 July 17, 2024)

Issues

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Created March 1, 1999, Updated February 19, 2017