Theoretical studies and molecular dynamics simulations on ion transport properties in nanochannels and nanopores

Abstract

Control of ion transport and fluid flow through nanofluidic devices is of primary importance for energy storage and conversion, drug delivery and a wide range of biological processes. Recent development of nanotechnology, synthesis techniques, purification technologies, and experiment have led to rapid advances in simulation and modeling studies on ion transport properties. In this review, the applications of Poisson-Nernst-Plank (PNP) equations in analyzing transport properties are presented. The molecular dynamics (MD) studies of transport properties of ion and fluidic flow through nanofluidic devices are reported as well.

Molecular Dynamics Study on the Deformation Behaviors of Nanostructures in the Demolding Process of Micro-Injection Molding

“…Delaney et al [22] summarized the existing demolding force models and parameters affecting the demolding force for micro polymer replication and pointed out that the existing models were not suitable for explaining the complex phenomena occurring at the interface between mold and polymer. After decades of development, the theory of molecular dynamics (MD) has been gradually applied to nanoscale research in many fields, such as macromolecular motion, nano-fluidic transport [23], interface science, and polymer forming processes [24]. Yang et al [25] studied the influences of mold and substrate material combination on the adhesion characteristics in a thermal nanoimprint lithography (NIL) process by MD simulation.…”