Computational Coupled Method for Multiscale and Phase Analysis.

On micro scale the constitutions of porous media are effected by other constitutions, so their behaviors are very complex and it is hard to derive theoretical formulations as well as to simulate on macro scale. For decades, in order to escape this complication, the phenomenological approaches in a field of multiscale methods have been extensively researched by many material scientists and engineers. Their theoretical approaches are based on the hierarchical multiscale methods using a priori knowledge on a smaller scale; however it has a drawback that an information loss can be occurred. Recently, according to a development of the core technologies of computer, the ways of multiscale are extended to a direct multiscale approach called the concurrent multiscale method. This approach is not necessary to deal with complex mathematical formulations, but it is noted as an important factor: development of computational coupling algorithms between constitutions in a porous medium. In this work, we attempt to develop coupling algorithms in different numerical methods finite element method (FEM), smoothed particle hydrodynamics (SPH) and discrete element method (DEM). Using this coupling algorithm, fluid flow, movement of solid particle, and contact forces between solid domains are computed via proposed discrete element which is based on SPH, FEM, and DEM. In addition, a mixed FEM on continuum level and discrete element model with SPH particles on discontinuum level is introduced, and proposed coupling algorithm is verified through numerical simulation.

Electrolyte solution transport in electropolar nanotubes.

Electrolyte transport in nanochannels plays an important role in a number of emerging areas. Using non-equilibrium molecular dynamics (NEMD) simulations, the fundamental transport behavior of an electrolyte/water solution in a confined model nanoenvironment is systematically investigated by varying the nanochannel dimension, solid phase, electrolyte phase, ion concentration and transport rate. It is found that the shear resistance encountered by the nanofluid strongly depends on these material/system parameters; furthermore, several effects are coupled. The mechanisms of the nanofluidic transport characteristics are explained by considering the unique molecular/ion structure formed inside the nanochannel. The lower shear resistance observed in some of the systems studies could be beneficial for nanoconductors, while the higher shear resistance (or higher effective viscosity) observed in other systems might enhance the performance of energy dissipation devices.