Simulation of Sheared Suspensions With a Parallel Implementation of QDPD

A parallel quaternion-based dissipative particle dynamics (QDPD) program has been developed in Fortran to study the flow properties of complex fluids subject to shear. The parallelization allows for simulations of greater size and complexity and is accomplished with a parallel link-cell spatial (dom...

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Detalles Bibliográficos
Autores principales: Sims, James S., Martys, Nicos
Formato: Online Artículo Texto
Lenguaje:English
Publicado: [Gaithersburg, MD] : U.S. Dept. of Commerce, National Institute of Standards and Technology 2004
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4853118/
https://www.ncbi.nlm.nih.gov/pubmed/27366609
http://dx.doi.org/10.6028/jres.109.017
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author Sims, James S.
Martys, Nicos
author_facet Sims, James S.
Martys, Nicos
author_sort Sims, James S.
collection PubMed
description A parallel quaternion-based dissipative particle dynamics (QDPD) program has been developed in Fortran to study the flow properties of complex fluids subject to shear. The parallelization allows for simulations of greater size and complexity and is accomplished with a parallel link-cell spatial (domain) decomposition using MPI. The technique has novel features arising from the DPD formalism, the use of rigid body inclusions spread across processors, and a sheared boundary condition. A detailed discussion of our implementation is presented, along with results on two distributed memory architectures. A parallel speedup of 24.19 was obtained for a benchmark calculation on 27 processors of a distributed memory cluster.
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spelling pubmed-48531182016-06-30 Simulation of Sheared Suspensions With a Parallel Implementation of QDPD Sims, James S. Martys, Nicos J Res Natl Inst Stand Technol Article A parallel quaternion-based dissipative particle dynamics (QDPD) program has been developed in Fortran to study the flow properties of complex fluids subject to shear. The parallelization allows for simulations of greater size and complexity and is accomplished with a parallel link-cell spatial (domain) decomposition using MPI. The technique has novel features arising from the DPD formalism, the use of rigid body inclusions spread across processors, and a sheared boundary condition. A detailed discussion of our implementation is presented, along with results on two distributed memory architectures. A parallel speedup of 24.19 was obtained for a benchmark calculation on 27 processors of a distributed memory cluster. [Gaithersburg, MD] : U.S. Dept. of Commerce, National Institute of Standards and Technology 2004 2004-04-01 /pmc/articles/PMC4853118/ /pubmed/27366609 http://dx.doi.org/10.6028/jres.109.017 Text en https://creativecommons.org/publicdomain/zero/1.0/ The Journal of Research of the National Institute of Standards and Technology is a publication of the U.S. Government. The papers are in the public domain and are not subject to copyright in the United States. Articles from J Res may contain photographs or illustrations copyrighted by other commercial organizations or individuals that may not be used without obtaining prior approval from the holder of the copyright.
spellingShingle Article
Sims, James S.
Martys, Nicos
Simulation of Sheared Suspensions With a Parallel Implementation of QDPD
title Simulation of Sheared Suspensions With a Parallel Implementation of QDPD
title_full Simulation of Sheared Suspensions With a Parallel Implementation of QDPD
title_fullStr Simulation of Sheared Suspensions With a Parallel Implementation of QDPD
title_full_unstemmed Simulation of Sheared Suspensions With a Parallel Implementation of QDPD
title_short Simulation of Sheared Suspensions With a Parallel Implementation of QDPD
title_sort simulation of sheared suspensions with a parallel implementation of qdpd
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4853118/
https://www.ncbi.nlm.nih.gov/pubmed/27366609
http://dx.doi.org/10.6028/jres.109.017
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