Simulation of Sheared Suspensions With a Parallel Implementation of Quaternion-Based Dissipative Particle Dynamics (QDPD)

Published

April 1, 2004

Author(s)

James S. Sims, Nicos Martys

Abstract

A quaternion-based dissipative particle dynamics (QDPD) program was developed to study the flow properties of complex fluids like suspensions, subject to shear. To overcome CPU speeds limiting the size and complexity of the simulations that can be carried out with this program, a parallelization of the program has been done using MPI. The technique, a traditional spatial domain decomposition using a parallel link-cell algorithm, has some fairly novel features arising from the DPD formalism (which forces some tricky bookkeeping to satisfy Newton's third law),the use of ellipsoids spread out across processors, and the requirement of a sheared boundary condition. This last condition, shear, can result in  particles being moved to a non-neighboring processor at the end of some time steps. A detailed discussion of our implementation is presented, along with results on an IBM SP2 cluster. A parallel speedup of 24.19 was obtained for a benchmark calculation on 27 processors.

Citation

Journal of Research (NIST JRES) -

Volume

109

Issue

2

NIST Pub Series

Journal of Research (NIST JRES)

Pub Type

NIST Pubs

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Keywords

MPI, parallel, QDPD, sheared suspensions

Citation

Sims, J. and Martys, N. (2004), Simulation of Sheared Suspensions With a Parallel Implementation of Quaternion-Based Dissipative Particle Dynamics (QDPD), Journal of Research (NIST JRES), National Institute of Standards and Technology, Gaithersburg, MD, [online], https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=150857 (Accessed April 23, 2024)