Related papers: Slip flow regimes in nanofluidics: a universal sup…
On hydrophobic surfaces, roughness may lead to a transition to a superhydrophobic state, where gas bubbles at the surface can have a strong impact on a detected slip. We present two-phase lattice Boltzmann simulations of a Couette flow over…
We study the structure and morphological changes of fluids that are in contact with solid composites formed by alternating and microscopically wide stripes of two different materials. One type of the stripes interacts with the fluid via…
Complex fluids transition from laminar to transitory flow above a critical control parameter, akin to their Newtonian counterparts. In a continuum mechanics sense, fluid elements follow the ensuing complex trajectories, giving rise to…
In the paper a bridge functional for the closure relation of the three-dimensional reference interaction model (3DRISM) equations is proposed. The effectiveness of the bridge for the aqueous solutions of the carbon nanomaterials is tested.…
We simulated the behavior of suspended carbon-nanotube (CNT) resonators over a broad range of temperatures to address the unexplained spectral broadening and frequency shifts seen in experiments. We find that thermal fluctuations induce…
We study the influence of chain stiffness on droplet flow in a nano-channel, coated with semiflexible hydrophobic polymers by means of non-equilibrium molecular-dynamics simulations. The studied system is then a moving droplet in the slit…
In molecular dynamics simulations, nanochannel flows are usually driven by a constant force, that aims to represent a pressure difference between inlet and outlet, and periodic boundary conditions are applied in the streamwise direction…
Based on the capillary pore model (space-charge theory) for combined fluid and ion flow through cylindrical nanopores or nanotubes, we derive the continuum equations modified to include wall slip. We focus on the ionic conductance and…
Fluids confined within narrow channels exhibit a variety of phases and phase transitions associated with their reduced dimensionality. In this review paper, we illustrate the crossover from quasi-one dimensional to higher effective…
A great number of the existing data for electrical transport, the Altshuler Aronov Spivak and Aharonov Bohm effects, as well as the tunneling spectra of individual carbon nanotubes can be well explained by theories of the quantum phase…
(1) Introduction: Nanoparticles have multiple applications, including drug delivery systems, biosensing, and carbon capture. Non-Einstein-like viscosity reduction has been reported in nanoparticle-polymer blends at low nanoparticle…
The transient start-up flow solution with slip is a useful tool to verify Computational Fluid Dynamics (CFD) simulations. However, a highly accurate, open-source black box solution does not seem to be available. Our method provides a fast,…
Various experiments have found a boundary slip in hydrophobic microchannel flows, but a consistent understanding of the results is still lacking. While Molecular Dynamics (MD) simulations cannot reach the low shear rates and large system…
Recent advance in nanotechnology has led to rapid advances in nanofluidics, which has been established as a reliable means for a wide variety of applications, including molecular separation, detection, crystallization and biosynthesis.…
We present a scaling analysis of electronic and transport properties of metal-semiconducting carbon nanotube interfaces as a function of the nanotube length within the coherent transport regime, which takes fully into account atomic-scale…
We present three-dimensional numerical simulations, employing the well-established lattice Boltzmann method, and investigate similarities and differences between surfactants and nanoparticles as additives at a fluid-fluid interface. We…
Specific molecular interactions underlie unexpected and useful phenomena in nanofluidic systems, but require descriptions that go beyond traditional macroscopic hydrodynamics. In this letter, we demonstrate how equilibrium molecular…
Interfacial friction plays a crucial role in the mechanical properties of carbon nanotube based fibers, composites, and devices. Here we use molecular dynamics simulation to investigate the pressure effect on the friction within carbon…
The conventional boundary conditions at the interface between two flowing liquids include continuity of the tangential velocity. We have tested this assumption with molecular dynamics simulations of Couette and Poiseuille flows of…
The emergence of new nanoporous materials, based e.g. on 2D materials, offers new avenues for water filtration and energy. There is accordingly a need to investigate the molecular mechanisms at the root of the advanced performances of these…