Finite element analysis-based design of a fluid-flow control nano-valve

A finite element method-based procedure is developed for the design of molecularly functionalized nano-size devices. The procedure is aimed at the single-walled carbon nano-tubes (SWCNTs) used in the construction of such nano-devices and utilizes spatially varying nodal forces to represent electrostatic interactions between the charged groups of the functionalizing molecules. The procedure is next applied to the design of a fluid-flow control nano-valve. The results obtained suggest that the finite element-based procedure yields the results, which are very similar to their molecular modeling counterparts for small-size nano-valves, for which both types of analyses are feasible. The procedure is finally applied to optimize the design of a larger-size nano-valve, for which the molecular modeling approach is not practical.