Related papers: Size distribution of islands according to 2D growt…
We consider a model for random deposition of monomers on a line with extrinsic precursor states. As the adsorbate coverage increases, the system develops non-trivial correlations due to the diffusion mediated deposition mechanism. In a…
We extend the phase field crystal model to accommodate exact atomic configurations and vacancies by requiring the order parameter to be non-negative. The resulting theory dictates the number of atoms and describes the motion of each of…
The nucleation and growth of clusters in a progressively cooled vapor is studied. The chemical-potential of the vapor increases, resulting in a rapidly increasing nucleation rate. The growth of the newly created clusters depletes monomers,…
The nucleation and growth of point islands during submonolayer deposition on a one-dimensional substrate is simulated for critical island size $i=0,1,2,3$. The small and large size asymptotics for the gap size and capture zone distributions…
Kinetic Monte-Carlo (KMC) simulations are a well-established numerical tool to investigate the time-dependent surface morphology in molecular beam epitaxy (MBE) experiments. In parallel, simplified approaches such as limited mobility (LM)…
The Kolmogrov-Johnson-Mehl-Avrami (KJMA) growth model is considered on a one-dimensional (1D) lattice. Cells can growth with constant speed and continuously nucleate on the empty sites. We offer an alternative, mean-field like approach for…
Non-equilibrium Markov State Modeling (MSM) has recently been proposed [Phys. Rev. E 94, 053001 (2016)] as a possible route to construct a physical theory of sliding friction from a long steady state atomistic simulation: the approach…
A model of submonolayer thin film growth is studied, where the attachment of atoms to island edges is hindered by an energy barrier. A novel behavior of the density of islands, N_s, is predicted as a function of flux F and temperature T.…
We investigate the problem of growing clusters, which is modeled by two dimensional disks and three dimensional droplets. In this model we place a number of seeds on random locations on a lattice with an initial occupation probability, $p$.…
An off-lattice, continuous space Kinetic Monte Carlo (KMC) algorithm is discussed and applied in the investigation of strained heteroepitaxial crystal growth. As a starting point, we study a simplifying (1+1)-dimensional situation with…
Square lattice gas models for heteroepitaxial growth are studied by means of kinetic Monte Carlo simulations, in order to find a possible origin of anisotropic island shape observed in growth experiments of long organic molecules. When…
Monte Carlo evaluation is used to calculate heavy-ion elastic scattering including the center-of-mass correction and the Coulomb interaction.Angular distributions are presented for a number of nuclear pairs over a wide energy range using…
Stranski-Krastanov (SK) growth is reported experimentally as the growth mode that is responsible for the transition to three dimensional islands in heteroepitaxial growth. A kinetic Monte Carlo (KMC) model is proposed that can replicate…
In this comprehensive and detailed study, vacancy-mediated self-diffusion of A- and B-elements in 'triple-defect' B2-ordered ASB(1-S) binaries is simulated by means of a kinetic Monte Carlo (KMC) algorithm involving atomic jumps to…
We present a simple non-equilibrium model of mass condensation with Lennard-Jones interactions between particles and the substrate. We show that when some number of particles is deposited onto the surface and the system is left to…
We describe two distinct approaches to obtaining cloud point densities and coexistence properties of polydisperse fluid mixtures by Monte Carlo simulation within the grand canonical ensemble. The first method determines the chemical…
The distributions of inter-island gaps and captures zones for islands nucleated on a one-dimensional substrate during submonolayer deposition are considered using a novel retrospective view. This provides an alternative perspective on why…
The configuration-interaction shell model approach provides an attractive framework for the calculation of nuclear level densities in the presence of correlations, but the large dimensionality of the model space has hindered its application…
Particle-based kinetic Monte Carlo simulations of neutral particles is one of the major computational bottlenecks in tokamak scrape-off layer simulations. This computational cost comes from the need to resolve individual collision events in…
We present an algorithm for producing discrete distributions with a prescribed nearest-neighbor distance function. Our approach is a combination of quasi-Monte Carlo (Q-MC) methods and weighted Riesz energy minimization: the initial…