Related papers: Atomistic Simulation of Compression Wave Propagati…
Structurally-stable atomistic one-dimensional shockwaves have long been simulated by injecting fresh cool particles and extracting old hot particles at opposite ends of a simulation box. The resulting shock profiles demonstrate tensor…
The paper presents the results of investigation of the structure of porous condensates of Ag-NaCl and Cu-NaCl composition; chemical and phase compositions and dimensions of nanoparticles, produced from the vapour phase by EBPVD method.…
Water plays a key role in biological membrane transport. In ion channels and water-conducting pores (aquaporins), one dimensional confinement in conjunction with strong surface effects changes the physical behavior of water. In molecular…
Controlled breakdown has recently emerged as a highly accessible technique to fabricate solid-state nanopores. However, in its most common form, controlled breakdown creates a single nanopore at an arbitrary location in the membrane. Here,…
We consider the physical setup of a three-dimensional fluid-structure interaction problem. A viscous compressible gas or liquid interacts with a nonlinear, visco-elastic, three-dimensional bulk solid. The latter is described by a hyperbolic…
Nanoporous metals or nanofoams are a promising material class that is considered for sensing, actuation, and catalysis. To date, they mostly based on simple noble metals such as nanoporous gold, which exhibit peculiar stress-strain response…
While most of the experimental studies are dealing with partially oxidized metallic nanosolids, their behaviour is not well understood theoretically. To this end we utilized molecular dynamics simulation and charge-optimized many-body…
We show that two-dimensional systems of deformable particles undergo a continuous liquid-hexatic transition upon compression or cooling, but no hexatic-solid transition-even at zero temperature and high density. Numerical simulations reveal…
Sympathetic cooling with ultracold atoms and atomic ions enables ultralow temperatures in systems where direct laser or evaporative cooling is not possible. It has so far been limited to the cooling of other microscopic particles, with…
Metallic nanoparticles, liquefied by fast laser irradiation, go through a rapid change of shape attempting to minimize their surface energy. The resulting nanodrops may be ejected from the substrate when the mechanisms leading to dewetting…
Thermal motions of molecules can generate nanowaves on the free surface of a liquid film. As nanofilms are susceptible to the contamination of surfactants, this work investigates the effects of surfactants on dynamics of nanowaves on a…
It has been experimentally established in numerous cases that precipitation of monodispersed colloids from homogeneous solutions is a complex process. Specifically, it was found that in many systems nuclei, produced rapidly in a…
The dynamics for molecule formation, relaxation, diffusion, and desorption on amorphous solid water is studied in a quantitative fashion. We aim at characterizing, at a quantitative level, the formation probability, stabilization, energy…
Nanoporous materials provide high surface area per unit mass and are capable of fluids adsorption. While the measurements of overall amount of fluid adsorbed by a nanopororus sample are straightforward, probing the fluid spacial…
We use a new variant of Molecular Static method for simulation of the atomic structure near nanovoids. In our model an iterative procedure is employed, in which the atomic structure in the void vicinity and the parameter determining the…
Even though the phenomenon of evaporation is omnipresent and has immense scientific and technological importance, the research effort to unveil its fundamentals remains inadequately low. As one particular consequence, the textbooks and…
We perform molecular dynamics simulations to understand the translational and rotational diffusion of Janus nanoparticles at the interface between two immiscible fluids. Considering spherical particles with different affinity to fluid…
We use molecular dynamics simulations in two dimensions to investigate the possibility that a core-softened potential can reproduce static and dynamic anomalies found experimentally in liquid water: (i) the increase in specific volume upon…
In this paper we present a modeling approach to bridge the atomistic with macroscopic scales in crystalline materials. The methodology combines identification and modeling of the controlling unit processes at microscopic level with the…
Self-assembly of sub-micron particles suspended in a water film is investigated numerically. The liquid medium is allowed to evaporate leaving only the sub-micron particles. A coupled CFD-DEM approach is used for the simulation of…