Simulation of sheared suspensions with a parallel implementation of QDPD

JS Sims and N Martys, JOURNAL OF RESEARCH OF THE NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY, 109, 267-277 (2004).

DOI: 10.6028/jres.109.017

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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