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While alloy, core-shell and Janus binary nanoclusters are found in more and more technological applications, their formation mechanisms are still poorly understood, especially during synthesis methods involving physical approaches. In this…
We consider two stacked ultra-thin layers of different liquids on a solid substrate. Using long-wave theory, we derive coupled evolution equations for the free liquid-liquid and liquid-gas interfaces. Linear and non-linear analyses show…
We consider a mixture of one neutral and two oppositely charged types of molecules confined to a surface. Using analytical techniques and molecular dynamics simulations, we construct the phase diagram of the system and exhibit the…
When thin films are grown on a substrate by chemical vapor deposition, the evolution of the first deposited layers may be described, on mesoscopic scales, by dynamical models of the reaction-diffusion type. For monoatomic layers, such…
Transport phenomena in molecular materials are intrinsically linked to the orbital character and the degree of localization of the valence states. Here, we combine angle-resolved photoemission with photoemission tomography to determine the…
Electromagnetic wave scattering from planar dielectric films deposited on one-dimensional, randomly rough, perfectly conducting substrates is studied by numerical simulations for both p- and s-polarization. The reduced Rayleigh equation,…
The issue of the stability of Pickering emulsions is tackled at a mesoscopic level using dissipative particle dynamics simulations within the Adiabatic Biased Molecular Dynamics framework. We consider the early stage of the coalescence…
How, in principle, could one solve the atomic structure of a quasicrystal, modeled as a random tiling decorated by atoms, and what techniques are available to do it? One path is to solve the phase problem first, obtaining the density in a…
We study the behavior of a monolayer, which occupies initially a bounded region on an ideal crystalline surface and then evolves in time due to random hopping motion of the monolayer particles. In the case when the initially occupied region…
The study explores machine learning methods for revealing chemical sensitivity in Helium spin-echo spectroscopy, in order to obtain ultra-sensitive surface analytic technique. We model bi-species co-adsorbed systems and demonstrate that by…
Understanding the mechanisms underlying a stable polarization at the surface of ferroelectric thin films is of particular importance both from a fundamental point of view and to achieve control of the surface polarization itself. In this…
Selected theoretical developments in modeling of deposition of submicrometer size (submicron) particles on solid surfaces, with and without surface diffusion, of interest in colloid, polymer, and certain biological systems, are surveyed. We…
A model for a monolayer of two types of particles spontaneously forming ordered patterns is studied by a mesoscopic theory and by MC simulations. We assume hard-cores of the same size for both components, short-range attraction long-range…
We consider patterns formed in a two-dimensional thin film on a planar substrate with a Derjaguin disjoining pressure and periodic wettability stripes. We rigorously clarify some of the results obtained numerically by Honisch et al. and…
Bimetallic nanoparticles are widely studied, for example in catalysis. However, possible restructuring in the environment of use, such as segregation or alloying, may occur. Taken individually, state-of-the-art analytical tools fail to give…
One of the major shortcomings of discrete element modelling (DEM) is the computational cost required when the number of particles is huge, especially for fine powders and/or industry scale simulations. This study investigates the scaling of…
We present adaptive finite element simulations of dendritic and eutectic solidification in binary and ternary alloys. The computations are based on a recently formulated phase-field model that is especially appropriate for modelling…
We study the interplay between surface roughening and phase separation during the growth of binary films. Renormalization group calculations are performed on a pair of equations coupling the interface height and order parameter…
We propose a model to describe the concentration dependence of the viscosity of soft particles. We incorporate in a very simple way the softness of the particles into expressions originally developed for rigid spheres. This is done by…
I study numerically the problem of delamination of a thin film elastically attached to a rigid substrate. A nominally flat elastic thin film is modeled using a two-dimensional triangular mesh. Both compression and bending rigidities are…