Related papers: Layer-by-layer water filling in molecular-scale ca…
Nanoscopic pores are used in various systems to attract nanoparticles. In general the behaviour is a result of two types of interactions: the material specific affinity and the solvent-mediated influence also called the depletion force. The…
We study phase behaviour of a model fluid confined between two unlike parallel walls in the presence of long range (dispersion) forces. Predictions obtained from macroscopic (geometric) and mesoscopic arguments are compared with numerical…
We present measurements on the spontaneous imbibition (capillary rise) of water, a linear hydrocarbon (n-C16H34) and a liquid crystal (8OCB) into the pore space of monolithic, nanoporous Vycor glass (mean pore radius 5 nm). Measurements on…
In this study, using non-equilibrium molecular dynamics simulation, the flow of water in deformed carbon nanotubes is studied for two water models TIP4P/2005 and SPC/FH. The results demonstrated a non-uniform dependence of the flow on the…
We use molecular dynamics simulations to study the diffusion of water inside deformed carbon nanotubes, with different degrees of eccentricity at 300K. We found a water structural transition between tubular-like to single-file for the (7,7)…
When thin films are grown on a substrate by chemical vapor deposition, the evolution of the first deposited layers may be described, on mesoscopic scales, by dynamical models of the reaction-diffusion type. For monoatomic layers, such…
The capillary force was measured by atomic force microscopy between a gold coated sphere mounted on a cantilever and gold surfaces with different roughness. For smooth surfaces the capillary adhesive force surpasses in magnitude any…
We study theoretically the capillary-gravity waves created at the water-air interface by a small two-dimensional perturbation when a depth-dependent current is initially present in the fluid. Assuming linear wave theory, we derive a general…
The self-assembly mechanism of one-end-open carbon nanotubes (CNTs) suspended in an aqueous solution was studied by molecular dynamics simulations. It was shown that two one-end-open CNTs with different diameters can coaxially self-assemble…
The capillary-induced structural instability of an elastic circular tube partially filled by a liquid is studied by combining theoretical analysis and molecular dynamics simulations. The analysis shows that, associated with the instability,…
We present a multi-scale formalism that accounts for the formation of nano-scale bubbles/cavities owing to a burst of water molecules after the passage of high energy charged particles that leads to the formation of hot non-ionizing…
We study the bendocapillary instability of a liquid droplet that part fills a flexible walled channel. Inspired by experiments in which a `weaving' pattern emerges as droplets of liquid are condensed slowly into deformable microchannels, we…
We develop a multi-scale approach to simulate hydrated nanobio systems under realistic condi- tions (e.g., nanoparticles and protein solutions at physiological conditions over time-scales up to hours). We combine atomistic simulations of…
Liquids in nanoscale hydrophilic pores generate capillary pressures so large that they could theoretically climb kilometers against gravity. However, droplets on thin nanoporous layers form imbibition fronts stopping at millimeters or less…
Extreme deformation of soft matter is central to our understanding of the effects of shock, fracture, and phase change in a variety of systems. Yet, despite, the increasing interest in this area, far-from-equilibrium behaviours of soft…
Liquid adsorption in nanoporous materials induces their deformation due to strong capillary forces. The linear relationship between the liquid pressure and the solid strain (pore-load modulus) provides an experimental technique to determine…
In capillary-driven fluid dynamics, simple departures from equilibrium offer the chance to quantitatively model the resulting relaxations. These dynamics in turn provide insight on both practical and fundamental aspects of thin-film…
The phase behavior of hydrocarbon fluids confined in porous media has been reported to deviate significantly from that in the bulk environment due to the existence of sub-10nm pores. Though experiments and simulations have measured the…
In this paper we try to work out in detail the implications of a microscopic theory for capillary waves under the assumption that the density is given along lines normal to the interface. Our study provides interface Hamiltonians for…
The mobility of water molecules confined in a silica pore is studied by computer simulation in the low hydration regime, where most of the molecules reside close to the hydrophilic substrate. A layer analysis of the single particle dynamics…