Related papers: Why Are Alkali Halide Solid Surfaces Not Wetted By…
We report a comprehensive study of aqueous halide adsorption on nanoparticles of gold and palladium that addresses several limitations hampering the use of atomistic modeling as a tool for understanding and improving wet-chemical synthesis…
The dropwise condensation underneath a horizontal super-hydrophobic surface having unidirectional wettability gradient is modeled with implication to enhance the rate of condensation. The mathematical model includes nucleation, growth by…
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…
Clarifying the factors that control the contact angle of a liquid on a solid substrate is a long-standing scientific problem pertinent across physics, chemistry and materials science. Progress has been hampered by the lack of a…
The possibility of thermal excitation of intrinsic localized modes (ILMs) arising from anharmonicity in ionic perfect crystals is studied numerically for realistic model systems in one and three dimensions. Implications are discussed for an…
There has been notable uncertainty regarding the degree of solvation of alkaline-earth atoms, especially Mg, in free He-4 nanodroplets. We have measured the electron energy dependence of the ionization yield of picked-up atoms. There is a…
Catalytically active colloids maintain non-equilibrium conditions in which they produce and deplete chemicals and hence effectively act as sources and sinks of molecules. While individual colloids that are symmetrically coated do not…
Surface rippling has been observed when atoms of $X$ and $A$ are mixed on the $A$ substrate surface. The rippling amplitude has been estimated using hard sphere models. We present a gedanken experiment predicting a penetration of small…
Understanding the dynamics in the deposition of water droplets onto solid surfaces is of importance from both fundamental and practical viewpoints. While the deposition of a water droplet onto a heated surface is extensively studied, the…
We calculate the ion and composition distributions around colloid particles in an aqueous mixture, accounting for preferential adsorption, electrostatic interaction, selective solvation among ions and polar molecules, and…
The structure and thickness of the electrical double layer (EDL) at carbon electrodes strongly influence electrochemical performance, yet remain poorly understood in super-concentrated aqueous electrolytes. Here we combine classical and…
We present molecular-dynamics simulations of the Si(100) surface in the temperature range 1100-1750K. To describe the total energy and forces we use the Effective-Medium Tight-Binding model. The defect-free surface is found to melt at the…
Freezing of water droplets placed on the bare and superhydrophobic surfaces of polymer wedges are studied both experimentally and computationally. Two-dimensional numerical calculations of the transient temperature field in a chilled…
Wettability is the affinity of a liquid for a solid surface. For energetic reasons, macroscopic drops of liquid are nearly spherical away from interfaces with solids, and any local deformations due to molecular-scale surface interactions…
It is well known that, at a macroscopic level, the boundary condition for a viscous fluid at a solid wall is one of "no-slip". The liquid velocity field vanishes at a fixed solid boundary. In this paper, we consider the special case of a…
Two superposed liquid layers display a variety of convective phenomena that are inaccessible in the traditional system where the upper layer is a gas. We consider several pairs of immiscible liquids. Once the liquids have been selected, the…
Alkali atoms do not stably embed in liquid helium-4 because the interatomic attractive potential is unable to overcome the short-range Pauli repulsion of the s electrons and the surface tension cost of the surrounding bubble. Similarly,…
Using grand-canonical Monte Carlo simulations we investigate the impact of charged walls on the crystallization properties of charged colloidal suspensions confined between these walls. The investigations are based on an effective model…
First-principles calculations are a cornerstone of modern surface science and heterogeneous catalysis. However, accurate reaction energies and barrier heights are frequently inaccessible due to the approximations demanded by the large…
The discrete Gaussian model for the surface of a crystal deposited on a disordered substrate is studied by Monte Carlo simulations. A continuous transition is found from a phase with a thermally-induced roughness to a glassy one in which…