Related papers: Island morphology and adatom self-diffusion on Pt(…
We revive intriguing, yet still unexplained, experimental results of Ehrlich and co-workers [ Phys. Rev. Lett. 77 1334 (1996); Phys. Rev. Lett. 67 2509 (1991)] who have observed, that 5d adatoms distributed on (111) surface islands of 5d…
We consider a stochastically perturbed reaction diffusion equation in a bounded interval, with boundary conditions imposing the two stable phases at the endpoints. We investigate the asymptotic behavior of the front separating the two…
We present results for collective diffusion of adatoms on a stepped substrate with a submonolayer coverage. We study the combined effect of the additional binding at step edge, the Schwoebel barrier, the enhanced diffusion along step edges,…
We present an investigation into diffusion models for molecular generation, with the aim of better understanding how their predictions compare to the results of physics-based calculations. The investigation into these models is driven by…
We show that the density of indium islands on GaAs(111)A substrates have a non-monotonic, reentrant behavior as a function of the indium deposition temperature. The expected increase in the density with decreasing temperature, indeed, is…
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…
Using density-functional theory we compute the energy barriers and attempt frequencies for surface diffusion of Ag on Ag(111) with different lattice constants, and on an Ag adsorbate monolayer on Pt(111). We find that the attempt frequency…
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…
We study the relaxation process in a two-dimensional lattice gas model, where the interactions come from the excluded volume. In this model particles have three arms with an asymmetrical shape, which results in geometrical frustration that…
This work investigates the first correction to the equilibrium phase space distribution and its effects on spectra and elliptic flow in heavy ion collisions. We show that the departure from equilibrium on the freezeout surface is the…
A diffuse-interface model for microstructure with an arbitrary number of components and phases was developed from basic thermodynamic and kinetic principles and formalized within a variational framework. The model includes a composition…
The equilibrium shapes of InAs quantum dots (i.e., dislocation-free, strained islands with sizes >= 10,000 atoms) grown on a GaAs (001) substrate are studied using a hybrid approach which combines density functional theory (DFT)…
Plenty of saddles on a multidimensional potential energy surface(PES) of two-dimensional microclusters, where atoms are interacting via Morse potential, are numerically located. The reaction paths emanating from the two types of the local…
We analyze point defect bulk and surface diffusion near the crystal-vacuum interface and show that bulk diffusion is altered by atomic reactions at the surface-vacuum boundary. A new atomic mechanism for point defect generation and…
I present empirical measurements of the rate of relaxation in N-body simulations of stable spherical systems and distinguish two separate types of relaxation: energy diffusion that is largely independent of particle mass, and energy…
Growth of atomic indium chains - 1D islands - on the Si(100)-2x1 surface was observed by scanning tunneling microscopy (STM) at room temperature and simulated by means of a kinetic Monte Carlo method. Density of indium islands and island…
The relaxation of axisymmetric crystal surfaces with a single facet below the roughening transition is studied via a continuum approach that accounts for step energy g_1 and step-step interaction energy g_3>0. For diffusion-limited…
The effects of a surfactant on two-dimensional pattern formation in epitaxial growth are explored theoretically using a simple model, in which an adatom becomes immobile only after overcoming a large energy barrier as it exchanges positions…
Ab initio calculations based on the density-functional pseudopotential approach have been used to study the fully relaxed structure, the electron distribution and the electronic density of states of (001) terraces, steps, corners and…
The different mechanisms involved in the alloying of epitaxial nanocrystals are reported in this letter. Intermixing during growth, surface diffusion and intra-island diffusion were investigated by varying the growth conditions and…