Related papers: Nano-Pump base on Exothermic Surface Reactions
In recent years, constant applied potential molecular dynamics has allowed to study the structure and dynamics of the electrochemical double-layer of a large variety of nanoscale capacitors. Nevertheless it remained impossible to simulate…
Biphasic chemical reactions compartmentalized in small droplets offer advantages, such as streamlined procedures for chemical analysis, enhanced chemical reaction efficiency and high specificity of conversion. In this work, we…
We combine non-hydrostatic flow simulations of the free surface with a discharge model based on elementary gate flow equations for decision support in operation of hydraulic structure gates. A water level-based gate control used in most of…
A setup for studying the influence of external electric fields on dynamic surface processes is described. Spatially-extended homogeneous electric fields are realized by applying a DC voltage in between a planar electrode and a metallic…
We present an implementation in a linear-scaling density-functional theory code of an electronic enthalpy method, which has been found to be natural and efficient for the ab initio calculation of finite systems under hydrostatic pressure.…
Ice formation is one of the most common and important processes on earth and almost always occurs at the surface of a material. A basic understanding of how the physicochemical properties of a material's surface affect its ability to form…
Electroosmotic pumping of fluid through a nanopore that traverses an insulating membrane is considered. The density of surface charge on the membrane is assumed uniform, and sufficiently low for the Poisson-Boltzmann equation to be…
This paper deals with the condensation of liquid droplets on hydrophobic and hydrophilic surfaces. A stochastic mesoscale model based on the theory of fluctuating hydrodynamics and the thermodynamics of a diffuse interface approach shows…
Periodic assemblies of nanoparticles are central to surface patterning, with applications in biosensing, energy conversion, and nanofabrication. Evaporation of colloidal droplets on substrates provides a simple yet effective route to…
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…
Ultrafast pump-probe measurements of plasmonic nanostructures probe the non-equilibrium behavior of excited carriers, which involves several competing effects obscured in typical empirical analyses. Here we present pump-probe measurements…
Multi-scale simulations of nanotube-based nanoelectromechanical systems (NEMS) controlled by a nonuniform electric field are performed by an example of a gigahertz oscillator. Using molecular dynamics simulations, we obtain the friction…
The purpose of this communication is to discuss the simulation of a free surface compressible flow between two fluids, typically air and water. We use a two fluid model with the same velocity, pressure and temperature for both phases. In…
We present a general simulation approach for fluid-solid interactions based on the fully-Eulerian Reference Map Technique (RMT). The approach permits the modeling of one or more finitely-deformable continuum solid bodies interacting with a…
We discuss finite-difference time-domain simulations of femtosecond pulses interacting with silver nanowires and nanoparticles. We show how localized hot spots near the metal surfaces can be generated and controlled in a spatiotemporal…
We assess the potentiality of several geometries of metallic nanodimers (one of the simplest thermoplasmonic systems) as candidates for active particles (nanoswimmers) propelled and controlled by light (phototaxis). The studied nanodimers…
To develop active materials that can efficiently respond to external stimuli with designed mechanical motions is one of the major obstacles that have hindered the realization of nanomachines and nanorobots. Here, we propose an innovative…
Molecular dynamics simulations are used to simulate the thermal properties of a model fluid containing nanoparticles (nanofluid). By modelling transient absorption experiments, we show that they provide a reliable determination of…
A transferable potential energy function for describing the interaction between water molecules is presented. The electrostatic interaction is described rigorously using a multipole expansion. Only one expansion center is used per molecule…
We investigate surface plasmon amplification in a silver nanoparticle coupled to an externally driven three-level gain medium, and show that quantum coherence significantly enhances the generation of surface plasmons. Surface plasmon…