Parallel load balancing strategy for Volume-of-Fluid methods on 3-D unstructured meshes

© 2016. This version is made available under the CC-BY-NC-ND 4.0 license http://creativecommons.org/licenses/by-nc-nd/4.0/l Volume-of-Fluid (VOF) is one of the methods of choice to reproduce the interface motion in the simulation of multi-fluid flows. One of its main strengths is its accuracy in capturing sharp interface geometries, although requiring for it a number of geometric calculations. Under these circumstances, achieving parallel performance on current supercomputers is a must. The main obstacle for the parallelization is that the computing costs are concentrated only in the discrete elements that lie on the interface between fluids. Consequently, if the interface is not homogeneously distributed throughout the domain, standard domain decomposition (DD) strategies lead to imbalanced workload distributions. In this paper, we present a new parallelization strategy for general unstructured VOF solvers, based on a dynamic load balancing process complementary to the underlying DD. Its parallel efficiency has been analyzed and compared to the DD one using up to 1024 CPU-cores on an Intel SandyBridge based supercomputer. The results obtained on the solution of several artificially generated test cases show a speedup of up to similar to 12x with respect to the standard DD, depending on the interface size, the initial distribution and the number of parallel processes engaged. Moreover, the new parallelization strategy presented is of general purpose, therefore, it could be used to parallelize any VOF solver without requiring changes on the coupled flow solver. Finally, note that although designed for the VOF method, our approach could be easily adapted to other interface-capturing methods, such as the Level-Set, which may present similar workload imbalances. (C) 2014 Elsevier Inc. Allrights reserved.Peer ReviewedPostprint (author's final draft

Molecular dynamics in arbitrary geometries : parallel evaluation of pair forces

A new algorithm for calculating intermolecular pair forces in molecular dynamics (MD) simulations on a distributed parallel computer is presented. The arbitrary interacting cells algorithm (AICA) is designed to operate on geometrical domains defined by an unstructured, arbitrary polyhedral mesh that has been spatially decomposed into irregular portions for parallelisation. It is intended for nano scale fluid mechanics simulation by MD in complex geometries, and to provide the MD component of a hybrid MD/continuum simulation. The spatial relationship of the cells of the mesh is calculated at the start of the simulation and only the molecules contained in cells that have part of their surface closer than the cut-off radius of the intermolecular pair potential are required to interact. AICA has been implemented in the open source C++ code OpenFOAM, and its accuracy has been indirectly verified against a published MD code. The same system simulated in serial and in parallel on 12 and 32 processors gives the same results. Performance tests show that there is an optimal number of cells in a mesh for maximum speed of calculating intermolecular forces, and that having a large number of empty cells in the mesh does not add a significant computational overhead

A level-set method for thermal motion of bubbles and droplets

Published under licence in Journal of Physics: Conference Series by IOP Publishing Ltd. Content from this work may be used under the terms of the Creative Commons Attribution 3.0 licence. Any further distribution of this work must maintain attribution to the author(s) and the title of the work, journal citation and DOI.A conservative level-set model for direct simulation of two-phase flows with thermocapillary effects at dynamically deformable interface is presented. The Navier-Stokes equations coupled with the energy conservation equation are solved by means of a finite-volume/level-set method. Some numerical examples including thermocapillary motion of single and multiple fluid particles are computed by means of the present method. The results are compared with analytical solutions and numerical results from the literature as validations of the proposed model.Peer ReviewedPostprint (published version

Unstructured un-split geometrical Volume-of-Fluid methods -- A review

Geometrical Volume-of-Fluid (VoF) methods mainly support structured meshes, and only a small number of contributions in the scientific literature report results with unstructured meshes and three spatial dimensions. Unstructured meshes are traditionally used for handling geometrically complex solution domains that are prevalent when simulating problems of industrial relevance. However, three-dimensional geometrical operations are significantly more complex than their two-dimensional counterparts, which is confirmed by the ratio of publications with three-dimensional results on unstructured meshes to publications with two-dimensional results or support for structured meshes. Additionally, unstructured meshes present challenges in serial and parallel computational efficiency, accuracy, implementation complexity, and robustness. Ongoing research is still very active, focusing on different issues: interface positioning in general polyhedra, estimation of interface normal vectors, advection accuracy, and parallel and serial computational efficiency. This survey tries to give a complete and critical overview of classical, as well as contemporary geometrical VOF methods with concise explanations of the underlying ideas and sub-algorithms, focusing primarily on unstructured meshes and three dimensional calculations. Reviewed methods are listed in historical order and compared in terms of accuracy and computational efficiency