Three-Dimensional Numerical Simulation of Ion Nano-channels in the Presence of Mechanical, Thermal, and Fluid Forces
Wednesday, July 22, 2015 - 3:15pm - 4:05pm
This talk emphasizes modeling and simulation, and is collaborative with Aurelio Mauri, Paolo Airoldi, and Riccardo Sacco of the Politecnico in Milan. The simulations were carried out using the FEMOS-MP platform. An expanded PNP model is used, based upon the inclusion of thermal and fluid effects. In addition, mechanical effects are introduced indirectly, by allowing mesh distortion to occur via a standard linear elasticity iteration in the algorithmic loop. Various stages of the loop can be turned on or off to determine the relative effects of the model components. The talk does not address the mathematical analysis of the full multicomponent model. Two three-dimensional geometries are chosen for the simulations: hexahedral (slab) and cylindrical. If one views these as alternative extensions of a one-dimensional model, then significant differences are found due to the geometry.