Related papers: Detailed Characterization of Rough Surfaces for Si…
Irreversible adsorption of spheres on flat collectors having dimension $d<2$ is studied. Molecules are adsorbed on Sierpinski's Triangle and Carpet like fractals ($1<d<2$), and on General Cantor Set ($d<1$). Adsorption process is modeled…
Conventional methods for modeling thermocatalytic systems are typically based on the Kohn-Sham density functional theory (KS-DFT), neglecting the inhomogeneous distributions of gas molecules in the reactive environment. However, industrial…
Direct numerical simulation is used to study turbulent flow over irregular rough surfaces in the periodic minimal channel configuration. The generation of irregular rough surface is based on a random algorithm, in which the power spectrum…
We present a newly developed approach for the calculation of interfacial stiffness and contact area evolution between two rough bodies exhibiting self affine surface structures. Using spline assisted discretization to define localised…
The failure of roughness parameters to predict surface properties stems from their inherent scale-dependence; in other words, the measured value depends on the way it was measured. Here we take advantage of this scale-dependence to develop…
Theory of adsorption on a surface with nanolocal defects is proposed. Two efficacy parameters of surface modification for nanotechnological purposes are introduced, where the modification is a creation of nanolocal artificial defects. The…
We present a novel approach for computing the surface roughness-limited thermal conductivity of silicon nanowires with diameter D < 100 nm. A frequency-dependent phonon scattering rate is computed from perturbation theory and related to a…
Friction and wear are important phenomena occurring in all devices with moving parts. While their origin and the way they evolve over time are not fully understood, they are both intimately linked to surface roughness. Guided by pin-on-disc…
The study of meter and sub-meter scale geological features, especially boulders and boulder fields, on the surface of airless bodies can provide insight into the evolution of the regolith and the contribution of various processes to its…
This study examines the roughness of mechanically cleaved edges in 2D crystals and glasses using molecular dynamics simulations with chemically accurate machine-learning force fields. Our results show that ultra-flat armchair and zigzag…
We use molecular dynamics computer simulations to study the equilibrium properties of the surface of amorphous silica. Two types of geometries are investigated: i) clusters with different diameters (13.5\AA, 19\AA, and 26.5\AA) and ii) a…
Water adsorption on silicate surfaces is a critical yet poorly understood process relevant to, e.g., mineral weathering and cement hydration. This study investigates the structure of water overlayers on a model calcium silicate, the…
A novel method for measuring the surface coverage of randomly distributed cylindrical nanoparticles such as nanorods and nanowires, using atomic force microscopy (AFM), is presented. The method offers several advantages over existing…
CO adsorption on Cu(111) and Cu(001) surfaces has been studied within ab-initio density functional theory (DFT). The structural, vibrational and thermodynamic properties of the adsorbate-substrate complex have been calculated. Calculations…
We study light absorption by weakly rough metal surfaces with the roughness amplitude and correlation length smaller than the skin depth in metal. We develop a systematic perturbative approach for calculation of the absorptance in such…
Experimental methods allow the shape and chemical composition of solid surfaces to be controlled at a mesoscopic level. Exposing such structured substrates to a gas close to coexistence with its liquid can produce quite distinct adsorption…
The pore-solid interface and its characteristics play a key role in chemical interactions between minerals in the solid soil matrix and the liquid in pore space and, consequently, solute transport in soils. Specific surface area (SSA),…
The first principles density functional theory (DFT) calculations have been used to investigate the atomic and electronic properties of thiadiazole adsorption on the Si(001) surface. A (2x2) reconstructed clean substrate surface has been…
Surface fractal dimension Ds is a quantity describing the roughness of pore-solid interface where all interactions between solid matrix and fluid in the pore space occur. Ds also quantifies surface area; the higher the surface fractal…
We use ab-initio electromagnetic simulations to investigate light absorption by rough surfaces in the context of the formation of laser-induced periodic surface structures. Our approach involves modeling a realistic rough surface using a…