Related papers: Detailed Characterization of Rough Surfaces for Si…
We study a $d=2$ discrete solid--on--solid model of complete wetting of a rough substrate with random self--affine boundary, having roughness exponent $\zeta_s$. A suitable transfer matrix approach allows to discuss adsorption isotherms, as…
Scalar-relativistic DFT-GGA has been used to study adsorption of water in molecular and dissociative configurations on delta-Plutonium (111) surface. In molecular state, water is physisorbed in an almost flat-lying orientation at a one-fold…
Stepped well-ordered semiconductor surfaces are important as nanotemplates for the fabrication of one-dimensional nanostructures which are candidates of intriguing electronic properties. Therefore a detailed understanding of the underlying…
Understanding mechanical properties of materials requires not only complete determination of the three-dimensional response at a local scale, but also knowledge of the mode or the mechanism by which deformation takes place. Probing…
Clay minerals are ubiquitous in nature, and the manner in which they interact with their surroundings has important industrial and environmental implications. Consequently, a molecular-level understanding of the adsorption of molecules on…
The measurement of real contact area between rough surfaces is one of most challenge problems in contact mechanics and is of importance to understand some physical mechanisms in tribology. Based on the frustrated total internal reflection,…
We report on the frictional properties of thin ($\approx \mu m$) poly(dimethylacrylamide) hydrogel films within contacts with spherical silica probes. In order to focus on the contribution to friction of interfacial dissipation, a dedicated…
We investigate theoretically the adhesion and electronic properties of graphene on a muscovite mica surface using the density functional theory (DFT) with van der Waals (vdW) interactions taken into account (the vdW-DF approach). We found…
The reliability of perovskite material LSCF to be used as cathode parts in solid oxide fuel cells also relies on its mechanical properties. Adequate surface conditions are desired when the as-sintered porous thin films are subjected to…
Area-selective atomic layer deposition is a key technology for modern microelectronics as it eliminates alignment errors inherent to conventional approaches by enabling material deposition only in specific areas. Typically, the selectivity…
Surface roughness influences turbulent boundary layers (TBLs) primarily through the roughness function $\Delta U^+$ and the equivalent sand-grain roughness height \(k_s\). Direct determination of \(k_s\) typically requires detailed velocity…
Crush curves are of fundamental importance to numerical modeling of small and porous astrophysical bodies. The empirical literature often measures them for silica grains, and different studies have used various methods, sizes, textures, and…
The surface aggregates structure of dimethyldodecylamine-N-oxide (C12DAO) in three silica dispersions of different particle sizes (16 - 42 nm) was studied by small-angle neutron scattering (SANS) in a H2O/D2O solvent mixture matching the…
Density Functional Theory (DFT) has become a cornerstone in the modeling of metals. However, accurately simulating metals, particularly under extreme conditions, presents two significant challenges. First, simulating complex metallic…
We develop a new approach to characterizing the morphology of rough surfaces based on the analysis of the scaling properties of contour loops, i.e. loops of constant height. Given a height profile of the surface we perform independent…
The focus of this paper is to systematically study the influence of solid obstacle surface roughness in porous media on the microscale flow physics and report its effect on macroscale drag and Nusselt number. The Reynolds averaged flow…
In this study, we employed lateral force microscopy, a specialized technique within atomic force microscopy, to explore the nanoscale frictional properties of 2D SnSe and SnSe$_2$ layers, and we compared these findings with graphene, a…
Zeolites, as representative porous materials, possess intricate three-dimensional frameworks that endow them with high surface areas and remarkable catalytic properties. There are a few factors that give a huge influence on the catalytic…
We describe a micro-fabrication method to create concave features with ultra-low surface roughness in silica, either on the end facets of optical fibers or on flat substrates. The machining uses a single focused CO2 laser pulse. Parameters…
Linear scaling methods for density-functional theory (DFT) simulations are formulated in terms of localised orbitals in real-space, rather than the delocalised eigenstates of conventional approaches. In local-orbital methods, relative to…