Multiscale Methods for Micro/Nano Flows and Materials

A review of the state-of-the-art computational strategies for micro and nanofluid dynamics and materials in the framework of hybrid molecular dynamics and continuum fluid dynamics methods, is presented. Various modelling strategies utilising hybrid solution interfaces and geometrical coupling, are described. The fundamental relation between continuum and molecular formulations for flux and state coupling are given. The advantages and disadvantages of the coupling by states and coupling by fluxes strategies are discussed in connection with different interfacial scenarios.