Reference: Nicos S. Martys, Raymond D. Mountain, Physical Review E, Volume
59, No. 3, pp. 3733-3736, March 1999.
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A velocity Verlet algorithm for dissipative particle
dynamics based models of suspensions
Nicos S. Martys
Building Materials Division
National Institute of Standards and Technology
Gaithersburg, MD 20899-8621
Raymond D. Mountain
Physical and Chemical Properties Division
National Institute of Standards and Technology
Gaithersburg, MD 20899-8380
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
[
10].
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 alogorithm.
Results are compared to the constraint-based rattle algorithm.
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