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We study dynamics of pattern formation in systems belonging to class of reaction-Cattaneo models including persistent diffusion (memory effects of the diffusion flux). It was shown that due to the memory effects pattern seletion process are…
Nested sampling was employed to investigate adsorption equilibria on the truncated-octahedral Lennard-Jones nanocluster LJ$_{38}$ while systematically varying adsorbate-surface well depth and Lennard-Jones size parameters. Evaluation of the…
The discrete and charge-separated nature of matter - electrons and nuclei - results in local electrostatic fields that are ubiquitous in nanoscale structures and are determined by their shape, material, and environment. Such fields are…
In the electrochemical deposition of thin films the measurement of the current-time curve does not allow for a direct determination of the nucleus growth law, electrode surface coverage and mean film thickness. In this work we present a…
We investigate the structural properties of a two-dimensional system of ellipsoidal particles carrying a linear quadrupole moment in their center. These particles represent a simple model for a variety of uncharged, non-polar conjugated…
Nucleation, commonly associated with discontinuous transformations between metastable and stable phases, is crucial in fields as diverse as atmospheric science and nanoscale electronics. Traditionally, it is considered a microscopic process…
We study the formation of nanostructures with alternating stripes composed of bulk-immiscible adsorbates during submonolayer heteroepitaxy. We evaluate the influence of two mechanisms considered in the literature: (i) strain relaxation by…
Surfaces are at the frontier of every known solid. They provide versatile supports for functional nanostructures and mediate essential physicochemical processes. Being intimately related with 2D materials, interfaces and atomically thin…
A Self Consistent Field Theory description of equilibrium, but non uniform, configurations adopted by semi flexible liquid crystal molecules is presented. Two cases are considered, isotropic-nematic phase boundaries, and topological defects…
A dielectric elastomer whose edges are held fixed will buckle, given sufficient applied voltage, resulting in a nontrivial out-of-plane deformation. We study this situation numerically using a nonlinear elastic model which decouples two of…
We have studied the effect of the misfit on the equilibrium shape of three-dimensional pyramidal islands grown on a foreign substrate in the case of incomplete wetting (Volmer-Weber mode of growth). We have found that tensile islands have…
The properties of hyperheavy nuclei and the extension of nuclear landscape to hyperheavy nuclei are extensively studied within covariant density functional theory. Axial reflection symmetric and reflection asymmetric relativistic…
Mesoscale objects with unusual structural features may serve as the analogues of atoms in the design of larger-scale materials with novel optical, electronic or mechanical behaviour. In this paper we investigate the structural features and…
We present a model in which pit nucleation in thin films is considered to arise from a near-equilibrium nucleation process. In this model the adatom concentration plays a central role in controlling the morphological development of the…
We investigate equilibrium microstructures exhibited by diblock copolymers in confined 3D geometries. We perform Self-Consistent Field Theory (SCFT) simulations using a finite-element based computational framework (Ackerman et al. 2017),…
We use atomistic simulations with an empirical potential (EAM) to study the elastic effects of heteroepitaxial islands on adatom diffusion. We measure the diffusion barrier on pure stressed substrate and near a misfit island, as well as the…
The evolution of surface morphology during the growth of N-polar (000-1) GaN under N-rich condition is studied by kinetic Monte Carlo (kMC) simulations for two substrates miscuts 2deg and 4deg. The results are compared with experimentally…
We investigate the influence of intermixing on heteroepitaxial growth dynamics, using a two-dimensional point island model, expected to be a good approximation in the early stages of epitaxy. In this model, which we explore both…
Elasticity theory calculations predict the number N of depressions that appear at the surface of a spherical thin shell submitted to an external isotropic pressure. In a model that mainly considers curvature deformations, we show that N…
Irreversible growth of strained epitaxial nanoislands has been studied with the use of the kinetic Monte Carlo (KMC) technique. It has been shown that the strain-inducing size misfit between the substrate and the overlayer produces long…