Simulations of amphiphilic fluids using mesoscale lattice-Boltzmann and lattice-gas methods

摘要

We compare two recently developed mesoscale models of binary immiscible andternary amphiphilic fluids. We describe and compare the algorithms in detailand discuss their stability properties. The simulation results for the cases ofself-assembly of ternary droplet phases and binary water-amphiphile spongephases are compared and discussed. Both models require parallel implementationand deployment on large scale parallel computing resources in order to achievereasonable simulation times for three-dimensional models. The parallelisationstrategies and performance on two distinct parallel architectures are comparedand discussed. Large scale three dimensional simulations of multiphase fluidsrequires the extensive use of high performance visualisation techniques inorder to enable the large quantities of complex data to be interpreted. Wereport on our experiences with two commercial visualisation products: AVS andVTK. We also discuss the application and use of novel computational steeringtechniques for the more efficient utilisation of high performance computingresources. We close the paper with some suggestions for the future developmentof both models.