Related papers: Energy barriers for diffusion on stepped Pt(111) s…
Starting from a unit mass on a vertex of a graph, we investigate the minimum number of "\emph{controlled diffusion}" steps needed to transport a constant mass $p$ outside of the ball of radius $n$. In a step of a controlled diffusion…
Experiments performed by friction force microscopy at atomic-scale surface steps on graphite, MoS$_2$, and NaCl in ambient conditions are presented. Both step-down and step-up scans exhibit higher frictional forces at the edge, but…
The calculation of the discrete atomistic energy of a crystal near the continuum limit encounters difficulties caused by the geometric discrepancy between the continuum region occupied by the body, and the discrete collection of lattice…
We study the random walk of a particle in a compartmentalized environment, as realized in biological samples or solid state compounds. Each compartment is characterized by its length $L$ and the boundaries transmittance $T$. We identify two…
Atomistic rigid lattice Kinetic Monte Carlo is an efficient method for simulating nano-objects and surfaces at timescales much longer than those accessible by molecular dynamics. A laborious part of constructing any Kinetic Monte Carlo…
We calculate the diffusion coefficients of persistent random walks on lattices, where the direction of a walker at a given step depends on the memory of a certain number of previous steps. In particular, we describe a simple method which…
We present the results of the planar diffusion of a Dirac particle by step and barrier potentials, when the incoming wave impinges at an arbitrary angle with the potential. Except for right-angle incidence this process is characterized by…
The decay of a crystalline cone below the roughening transition is studied. We consider local mass transport through surface diffusion, focusing on the two cases of diffusion limited and attachment-detachment limited step kinetics. In both…
The transport of an infinitely thin, hard rod in a random, dense array of point obstacles is investigated by molecular dynamics simulations. Our model mimics the sterically hindered dynamics in dense needle liquids. The center-of-mass…
Configuration transitions of individual molecules and atoms on surfaces are traditionally described with energy barriers and attempt rates using an Arrhenius law. This approach yields consistent energy barrier values, but also attempt rates…
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…
The diffusion of Ga and N adatoms has been studied for the technologically relevant wurtzite (000bar1) and (0001) surfaces employing density-functional theory. Our calculations reveal a very different diffusivity for Ga and N adatoms on the…
We present a precise microscopic description of the limiting step for low temperature shape relaxation of two dimensional islands in which activated diffusion of particles along the boundary is the only mechanism of transport allowed. In…
With a Si(001) vicinal surface in mind, we study step wandering instability on a vicinal surface with an anisotropic surface diffusion whose orientation dependence alternates on each consecutive terrace. In a conserved system step wandering…
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…
We formulate the theory for steering an active particle with optimal travel time between two locations and apply it to the Mexican hat potential without brim. For small heights the particle can cross the potential barrier, while for large…
In this work we first study the quantum diffusion in a volume of a crystalline solid at high interstitial concentrations when the effects of the short-range interactions between the diffusing particles are to be factors. Within the scope of…
This article presents a new approach to the dynamics of a particle system, divided into two distinct microstates spreading out in a homogeneous medium. The particles belonging to the main microstate spread according to classical Fick's law…
In this work, we derive particle schemes, based on micro-macro decomposition, for linear kinetic equations in the diffusion limit. Due to the particle approximation of the micro part, a splitting between the transport and the collision part…
A time-dependent potential barrier has been used to probe the arrival-time distribution of the wave packet of a hot electron by raising the barrier to block the packet upon arrival of the packet at the barrier. To see whether the barrier…