Related papers: The crossover from collective motion to periphery …
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…
We present a systematic analysis of diffusion-controlled evolution and collapse of two identical spatially separated $d$-dimensional $A$-particle islands in the $B$-particle sea at propagation of the sharp reaction front $A+B\to 0$ at equal…
A recent model of Ariel et al. [1] for explaining the observation of L\'evy walks in swarming bacteria suggests that self-propelled, elongated particles in a periodic array of regular vortices perform a super-diffusion that is consistent…
We introduce an algorithm for treating growth on surfaces which combines important features of continuum methods (such as the level-set method) and Kinetic Monte Carlo (KMC) simulations. We treat the motion of adatoms in continuum theory,…
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…
Based on recent calculations of the self-diffusion (SD) coefficient in amorphous silicon (a-Si) by classical Molecular Dynamics simulation [M. Posselt, H. Bracht, and D. Radi\'c, J. Appl. Phys. 131, 035102 (2022)] detailed investigations on…
The nucleation and growth of two--dimensional islands is studied with Monte Carlo simulations of a pair--bond solid--on--solid model of epitaxial growth. The conventional description of this problem in terms of a well--defined critical…
We report on early stages of submonolayer Ag island coarsening on Ag(111) surface at room temperature ($300$ K) carried out using realistic kinetic Monte Carlo (KMC) simulations. We find that during early stages, coarsening proceeds as a…
A massively parallel kinetic Monte Carlo (kMC) approach is proposed for simulating ionic migration in a crystal system by introducing the atomic fragmentation scheme (fragment kMC). The fragment kMC method achieved a reasonable parallel…
It is experimentally observed that adsorbate atoms and vacancies on (111) surfaces of fcc metals cluster into islands which are approximately hexagonal, but which on closer inspection turn out to have equilibrium facets which alternate in…
We report the development of a pattern-recognition scheme that takes into account both fcc and hcp adsorption sites in performing self-learning kinetic Monte Carlo (SLKMC-II) simulations on the fcc(111) surface. In this scheme, the local…
We have performed Kinetic Monte Carlo simulation work to study the effect of diffusion anisotropy, bonding anisotropy and edge diffusion on island formation at different temperatures during the sub-monolayer film growth in Molecular Beam…
Using the plane wave pseudopotential method we performed density functional theory calculations on the stability of steps and self-diffusion processes on Ag(100). Our calculated step formation energies show that the {111}-faceted step is…
The rate of diffusion of a Cu adatom on the Cu(100) surface is calculated using thermodynamic integration within the transition state theory. The results are found to be in excellent agreement with the essentially exact values from…
Long-timescale simulations of the diffusion of a H$_2$O admolecule on the (0001) basal plane of ice Ih were carried out over a temperature range of 100 to 200 K using the adaptive kinetic Monte Carlo method and TIP4P/2005f interaction…
The growth and ordering of a Pb layer deposited on Cu(001) at 150 K has been studied using atom beam scattering. At low coverage, ordered Pb islands with a large square unit cell and nearly hexagonal internal structure are formed. This is a…
We consider diffusion-controlled evolution of a $d$-dimensional $A$-particle island in the $B$-particle sea at propagation of the sharp reaction front $A+B\to 0$ at equal species diffusivities. The $A$-particle island is formed by a…
We use ab initio static relaxation methods and semi-empirical molecular-dynamics simulations to investigate the energetics and dynamics of the diffusion of adatoms, dimers, and vacancies on Cu(100). It is found that the dynamical energy…
The scaling of island and monomer density, capture zone distributions (CZDs), and island size distributions (ISDs) in reversible submonolayer growth was studied using the Clarke-Vvedensky model. An approach based on rate-equation results…
The decay of hexagonal Ag adatom islands on top of larger Ag adatom islands on a Ag(111) surface is followed by a fast scanning tunneling microscope. Islands do not always show the expected increase in decay rate with decreasing island…