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The mechanism of the collapse of the superhydrophobic state is elucidated for submerged nanoscale textures forming a three-dimensional interconnected vapor domain. This key issue for the design of nanotextures poses significant simulation…
Two-dimensional (2D) materials are envisaged as ultra-thin solid lubricants for nano-mechanical systems. So far, their frictional properties at the nanoscale have been studied by standard friction force microscopy. However, lateral…
It is established that liquid metals exhibit surface layering at the liquid-vapor interface, while dielectric simple systems, like those interacting through Lennard-Jones potentials, show a monotonic decay from the liquid density to that of…
The formation of regular precipitate stripes in the wake of moving chemical reaction-diffusion fronts is investigated. Experiments on the $NaOH+CuCl_2$ reaction in PVA hydrogel yield stripes parallel or slightly oblique to the front that…
The glass transition of supercooled fluids is a particular challenge for computer simulation, because the (longest) relaxation times increase by about 15 decades upon approaching the transition temperature T_g. Brute-force molecular…
A fluid-structure interaction problem with the melting of water around a heated horizontal circular cylinder is analysed with numerical simulations. Dynamic meshing was used for evolving the flow domain in time as the melting front extended…
We have developed a method to simulate behavior of nanoporous materials in a molecular dynamics code. The nanoporous solid is produced via a spinodal decomposition of a material brought from a supercritical fluid into the two phase…
Using all atom molecular dynamics (MD) simulations, we have studied the mechanical properties of ZnS/CdS core/shell nanowires. Our results show that the coating of a few atomic layer CdS shell on the ZnS nanowire leads to a significant…
We have fabricated ultra-thin YBa2Cu3O7-x nanowires with a high critical current density and studied their voltage switching behavior in the 4.2 - 90 K temperature range. A comparison of our experimental data with theoretical models…
Nanocrystalline metals, i.e. metals in which the grain size is in the nanometer range, have a range of technologically interesting properties including increased hardness and yield strength. We present atomic-scale simulations of the…
This article presents a brief review of the nanoscale free-electron model, which provides a continuum description of metal nanostructures. It is argued that surface and quantum-size effects are the two dominant factors in the energetics of…
The flow behaviors of polymer melt composed of short chains with ten beads between parallel plates are simulated by using a hybrid method of molecular dynamics and computational fluid dynamics. Three problems are solved: creep motion under…
A simple one-dimensional mechanical model is proposed for splitting instability in swollen membranes. The splitting instability occurs by ring constriction. The bifurcation can be both subcritical and supercritical, depending on the…
From extensive molecular dynamics simulations on immiscible two-phase flows, we find the relative slipping between the fluids and the solid wall everywhere to follow the generalized Navier boundary condition, in which the amount of slipping…
A linear stability analysis of metallic nanowires is performed in the free-electron model using quantum chaos techniques. It is found that the classical instability of a long wire under surface tension can be completely suppressed by…
The complex fluidic nature of blood, though necessary to serve different physiological purposes, gives rise to daunting challenges in developing unified conceptual paradigm describing the underlying physics of blood at pinch, which may…
A general linear stability analysis of simple metal nanowires is presented using a continuum approach which correctly accounts for material-specific surface properties and electronic quantum-size effects. The competition between surface…
We use molecular dynamics simulations to investigate the displacement of a simple butterfly-like molecular motor inside nanopores of various radii filled with a viscous medium. The medium is modeled with a versatile potential that may be…
Molecular simulations employing empiric force fields have provided valuable knowledge about the ice growth process in the last decade. The development of novel computational techniques allows us to study this process, which requires long…
Understandings heat transfer across a solid/liquid interface is important to develop new pathways to improve thermal management in various energy applications. One of the important questions that arises in this context is the impact of…