Silica nanopores are the focus of significant scientific interest due to their potential in a wide variety of applications including desalination membranes. In this paper, the results of extensive all-atom molecular dynamics simulations of the electro-osmotic flow of 0.5 M monovalent (NaCl) and divalent (CaCl(2)) ionic solutions through cylindrical charged silica nanopores are presented. The si...

Previous reports on Poisson-Nernst-Planck (PNP) simulations of solid-state nanopores have focused on steady state behaviour under simplified boundary conditions. These are Neumann boundary conditions for the voltage at the pore walls, and in some cases also Donnan equilibrium boundary conditions for concentrations and voltages at both entrances of the nanopore. In this paper, we report time-dep...

In fluid transport across nanopores, there is a fundamental dissipation that arises from the connection between the pore and the macroscopic reservoirs. This entrance effect can hinder the whole transport in certain situations, for short pores and/or highly slipping channels. In this paper, we explore the hydrodynamic permeability of hourglass shape nanopores using molecular dynamics (MD) simul...

The production of the track-etched membranes is well known in membrane science. Latent ion tracks are the result of the passage of swift ions through solid matter, they can be etched selectively in many materials. As a result, conical, cylindrical or other shape channels can be obtained. The increasing interest in polymer track-etched membranes with nano-channels is connected with the developme...

Helium at low temperatures has unique quantum properties such as superfluidity, which causes it to behave differently from a classical fluid. Despite our deep understanding of quantum mechanics, there are many open questions concerning the properties of quantum fluids in nanoscale systems. Herein, the quantum behavior of helium transportation through one-dimensional nanopores was evaluated by m...

The structural and dynamical properties of water in the nanopores of the MIL-53(Cr) metal-organic framework are examined using classical and quantum molecular dynamics simulations. The results indicate that, depending on the number of molecules adsorbed per unit cell as well as on the shape of the nanopores, the explicit inclusion of nuclear quantum effects can either enhance or inhibit the mol...

Ultra-thin nanopores have become promising biological sensors because of their outstanding signal-to-noise ratio and spatial resolution. Here, we show that boron nitride (BN), which is a new two-dimensional (2D) material similar to graphene, could be utilized for making a nanopore with an atomic thickness. Using an all-atom molecular dynamics simulation, we investigated the dynamics of DNA tran...

Abstract Ion transport and hydrodynamic flow through nanometer-sized channels (nanopores) have been increasingly studied owing to not only the fundamental interest in abundance of novel phenomena that has observed but also their promising application innovative nanodevices, including next-generation sequencers, nanopower generators, memristive synapses. We first review various kinds materials a...