Simulations of amphiphilic fluids using mesoscale lattice-Boltzmann and lattice-gas methods
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Publication:709392
DOI10.1016/S0010-4655(03)00200-5zbMATH Open1196.76064arXivcond-mat/0212148MaRDI QIDQ709392FDOQ709392
Authors: J. Chin, N. González-Segredo, J. M. R. Martin, Peter J. Love, Maziar Nekovee, Peter V. Coveney 
Publication date: 18 October 2010
Published in: Computer Physics Communications (Search for Journal in Brave)
Abstract: We compare two recently developed mesoscale models of binary immiscible and ternary amphiphilic fluids. We describe and compare the algorithms in detail and discuss their stability properties. The simulation results for the cases of self-assembly of ternary droplet phases and binary water-amphiphile sponge phases are compared and discussed. Both models require parallel implementation and deployment on large scale parallel computing resources in order to achieve reasonable simulation times for three-dimensional models. The parallelisation strategies and performance on two distinct parallel architectures are compared and discussed. Large scale three dimensional simulations of multiphase fluids requires the extensive use of high performance visualisation techniques in order to enable the large quantities of complex data to be interpreted. We report on our experiences with two commercial visualisation products: AVS and VTK. We also discuss the application and use of novel computational steering techniques for the more efficient utilisation of high performance computing resources. We close the paper with some suggestions for the future development of both models.
Full work available at URL: https://arxiv.org/abs/cond-mat/0212148
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- Supramolecule Structure for Amphiphilic Molecules by Dissipative Particle Dynamics Simulation
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- Rheological response and dynamics of the amphiphilic diamond phase from kinetic lattice–Boltzmann simulations
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- Chirality and domain growth in the gyroid mesophase
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