LB3D: A Parallel Implementation of the Lattice-Boltzmann Method for Simulation of Interacting Amphiphilic Fluids

Sebastian Schmieschek, Lev Shamardin, S. Frijters, Timm Krüger, Ulf D. Schiller, Jens Harting, Peter V. Coveney

Research output: Contribution to journalArticlepeer-review

Abstract

We introduce the lattice-Boltzmann code LB3D, version 7.1. Building on a parallel program and supporting tools which have enabled research utilising high performance computing resources for nearly two decades, LB3D version 7 provides a subset of the research code functionality as an open source project. Here, we describe the theoretical basis of the algorithm as well as computational aspects of the implementation. The software package is validated against simulations of meso-phases resulting from self-assembly in ternary fluid mixtures comprising immiscible and amphiphilic components such as water–oil–surfactant systems. The impact of the surfactant species on the dynamics of spinodal decomposition are tested and quantitative measurement of the permeability of a body centred cubic (BCC) model porous medium for a simple binary mixture is described. Single-core performance and scaling behaviour of the code are reported for simulations on current supercomputer architectures.
Original languageEnglish
Pages (from-to)149-161
JournalComputer Physics Communications
Volume217
Early online date18 Apr 2017
DOIs
Publication statusPublished - Aug 2017

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