相关论文: Diffusion processes and growth on stepped metal su…

A discrete version of deposition-diffusion equations appropriate for description of step flow on a vicinal surface is analyzed for a two-dimensional grid of adsorption sites representing the stepped surface and explicitly incorporating…

The steps at the crystal surfaces could be transparent for the migrating adatoms. In the case of significant transparency the velocity of a given step in a given moment is affected by detachment of atoms from rather distant steps in rather…

Diffusion of Cu adatoms and dimers on Cu(111) and Ag(111) surfaces is analyzed basing on ab-initio surface potentials. As compared to the simple single adatom jumps that alternate between two states, dimers undergo more complex diffusion…

We studied the step dynamics during crystal sublimation and growth in the limit of fast surface diffusion and slow kinetics of atom attachment-detachment at the steps. For this limit we formulate a model free of the quasi-static…

Burton-Cabrera-Frank (BCF) theory has proven to be a versatile framework to relate surface morphology and dynamics during crystal growth to the underlying mechanisms of adatom diffusion and attachment at steps. For an important class of…

Isolated kinks on thermally fluctuating (1/2)<111> screw, <100> edge and (1/2)<111> edge dislocations in bcc iron are simulated under zero stress conditions using molecular dynamics (MD). Kinks are seen to perform stochastic motion in a…

We studied the step dynamics during sublimation and growth in the presence of electromigration force acting on the adatoms. In the limit of fast surface diffusion and slow kinetics of atom attachment-detachment at the steps we formulate 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 effect that an additional energy barrier E_{kr} for step adatoms moving around kinks has on equilibrium step edge fluctuations is explored using scaling arguments and kinetic Monte Carlo simulations. When mass transport is through step…

Strong electric fields are known to create biased adatom migration on metallic surfaces. We present a Kinetic Monte Carlo model that can simulate adatom migration on a tungsten (W) surface in electric fields. We validate our model by using…

We study the behavior of single atoms on an infinite vicinal surface assuming certain degree of step permeability. Assuming complete lack of re-evaporation an ruling out nucleation the atoms will inevitably join kink sites at the steps but…

Atomic diffusion is usually understood as a succession of random, independent displacements of an adatom over the surface's potential energy landscape. Nevertheless, an analysis of Molecular Dynamics simulations of self-diffusion on Cu(111)…

The meander instability of a vicinal surface growing under step flow conditions is studied within a solid-on-solid model. In the absence of edge diffusion the selected meander wavelength agrees quantitatively with the continuum linear…

Surface growth, by association or dissociation of material on the boundaries of a body, is ubiquitous in both natural and engineering systems. It is the fundamental mechanism by which biological materials grow, starting from the level of a…

Using total energy calculations, based on interaction potentials from the embedded atom method, we show that the presence of the tip not only lowers the barrier for lateral diffusion of the adatom towards it, but also shifts the…

Coarse-grained modeling of dynamics on vicinal surfaces concentrates on the diffusion of adatoms on terraces with boundary conditions at sharp steps, as first studied by Burton, Cabrera and Frank (BCF). Recent electromigration experiments…

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…

We present a class of models that describe self diffusion on several fcc(001) metal substrates within a common framework. The models are found to apply well for Cu(001), Ag(001), Au(001), Ni(001) and Pd(001).For each of these metals the…

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,…

Energy barriers for different moves of a single Rh adatom in the vicinity of steps on Rh(111) surface are studied with molecular statics. Interatomic interactions are modeled by the semi-empirical many-body Rosato-Guillope-Legrand…