相关论文: Molecular dynamic simulation on the density of tit…
We revisit the theory of ion transport in parallel-plate channels and also discuss how the wettability of a solid and the mobility of adsorbed surface charges impact the transport of ions. It is shown that depending on the ratio of the…
We use molecular dynamics simulations to study the behavior of a compressible Lennard-Jones fluid in simple shear flow in a two-dimensional nanochannel. The system is equilibrated in the fluid phase close to the triple point at which gas,…
Using a coarse-grained bead-spring model of flexible polymer chains, the structure of a polymeric nanodroplet adsorbed on a chemically decorated flat wall is investigated by means of Molecular Dynamics simulation. We consider sessile drops…
The linear stability of nanofluid boundary-layer flow over a flat plate is investigated using a two-phase model that incorporates Brownian motion and thermophoresis, building upon the earlier work of Buongiorno (2006). Solutions to the…
Functionalized metal nanoparticles (NPs) have been proposed as promising radiosensitizing agents for more efficient radiotherapy treatment using photons and ion beams. Radiosensitizing properties of NPs may depend on many different…
This extensive investigation explores the influence of inclined magnetic fields and radiative non-linear heat flux on the behavior of dusty hybrid nanofluids over stretching/shrinking wedges. Employing $Cu$-$SiO_2$ as a hybrid nanoparticle…
This study showed the structures and the thermal behaviors of Si nanocages and nanotubes using classical molecular dynamics simulations based on the Tersoff potential. For hypothetical Si nanotubes based on the Tersoff potential, Si-Si bond…
The question of if silica nanoparticles can enhance the ionic conductivity of a polymer electrolyte above its crystallization temperature has remained unclear for the two decades following the first experiments on these systems. We use…
Understanding the stability mechanism of surface micro/nanobubbles adhered to gas-evolving electrodes is essential for improving the efficiency of water electrolysis, which is known to be hindered by the bubble coverage on electrodes. Using…
In the realm of nanoscience, the dynamic behaviors of liquids at scales beyond the conventional structural relaxation time, $\tau$, unfold a fascinating blend of solid-like characteristics, including the propagation of collective shear…
To comprehend the complexities of the ice-water interface, we perform a study that attempts to correlate the altered dynamics of water to its perturbed structure at, and due to, the interface. The deviation from bulk values of structural…
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…
The impact of nanometer sized drops on solid surfaces is studied using molecular dynamics simulations. Equilibrated floating drops consisting of short chains of Lennard-Jones liquids with adjustable volatility are directed normally onto an…
The thermodynamics and kinetics of crystallization of nanoparticles, as opposed to bulk phases, may be influenced by surface and size effects. We investigate the importance of such factors in the crystallization process of gold, silver, and…
The electro-osmotic flow (EOF) in a neutral system consisting of an aqueous NaCl solution confined in a nanochannel with two parallel Molybdenum disulfide ($\textrm{MoS}_{\textrm{2}}$) walls and in the presence of an external electric field…
The compression of a low-density copper foam was simulated with a radiation, hydrodynamics code. In one simulation, the foam had a density of $\rho_0 = 1.3407$ g/cm$^3$, 15% the density of copper at standard temperature and pressure, and…
Different compaction processes of the nanosized granular system, which is a prototype of an alumina nanopowder, are studied by the granular dynamics method. For all processes: compaction curves ''density vs. pressure'' of the powder compact…
We present results of Molecular Dynamics (MD) calculations on the behavior of liquid nanodroplets on rough hydrophobic and hydrophilic solid surfaces. On hydrophobic surfaces, the contact angle for nanodroplets depends strongly on the root…
Nanomaterial surface states can effectively modify or even dominate their physical and chemical properties due to large surface-to-volume ratios. Such surface effects are highly dependent on particle size and ligand coverage, yet the…
Liquids in contact with solids are submitted to intermolecular forces making liquids heterogeneous and stress tensors are not any more spherical as in homogeneous bulks. The aim of this article is to show that a square-gradient functional…