相关论文: Vacancy diffusion in the Cu(001) surface I: An STM…
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…
The diffraction of fast atoms at crystal surfaces is ideal for a detailed investigation of the surface electronic density. However, instead of sharp diffraction spots, most experiments show elongated streaks characteristic of inelastic…
We have studied initial growth of Sn atoms on Ge(001) surfaces at room temperature and 80 K by scanning tunneling microscopy. For Sn deposition onto the Ge(001) substrate at room temperature, the Sn atoms form two kinds of one-dimensional…
Consider a spectrally positive Stable($1+\alpha$) process whose jumps we interpret as lifetimes of individuals. We mark the jumps by continuous excursions assigning "sizes" varying during the lifetime. As for Crump-Mode-Jagers processes…
We have created an innovative natural thermostat algorithm to mimic the direct impact of temperature on interatomic distances in both a perfect crystal and a system containing a vacancy. Unlike previous research, our findings demonstrate…
The phase separation occurring in Fe-Ni thin films near the Invar composition is studied by using high-resolution spectromicroscopy techniques and density functional theory calculations. Annealed at temperatures around 300 C, Fe0.70Ni0.30…
We are investigating the properties of vacancies in solid 4He with the exact zero temperature SPIGS method. Our aim is to study the possibility of phase--separation between vacancies and the perfect crystal. We find a significant…
Multi-principal element alloys (MPEAs) continue to garner interest as structural and plasma-facing materials due to their structure stability and increased resistance to radiation damage. Despite sensitivity of mechanical behavior to…
The vacancy concentration at finite temperatures is studied for a series of (CoCrFeMn)$_{1-x_\mathrm{Ni}}$Ni$_{x_\mathrm{Ni}}$ alloys by grand-canonical Monte-Carlo (MC) simulations. The vacancy formation energies are calculated from a…
{\rm Context.} Atomic diffusion is believed to cause the abundance anomalies observed in AmFm stars. However, the detailed process has still not been well-established. For instance, two possible scenarios for the diffusion theory are…
Processes of diffusion of As and P atoms in InP and InAs, and atomic and energy structure of group-V vacancies and interstitial P and As atoms in InP and InAs have been investigated using density functional theory. Formation energies of…
We consider surface diffusion of a single particle, which performs site-to-site under-barrier hopping, fulfils intrasite motion between the ground and the first excited states within a quantum well, and interacts with surface phonons. On…
In this paper we use computer simulations to examine point defects in systems of "soft" colloidal particles including Hertzian spheres, and star polymers. We use Monte Carlo simulations to determine the deformation of the different crystals…
The alleged existence of sluggish diffusion in high entropy alloys has drawn controversy. In high entropy alloys, and in general in all solids, transport properties are controlled by point defect concentration, which must be known before…
Dynamics of a particle diffusing in a confinement can be seen a sequence of bulk-diffusion-mediated hops on the confinement surface. Here, we investigate the surface hopping propagator that describes the position of the diffusing particle…
TiO2 is a technologically important material. In particular, its anatase polymorph plays a major role in photocatalysis, which can also accommodate charged and neutral vacancies. There is, however, scant theoretical work on the vacancy…
The supersolid state of matter, exhibiting non-dissipative flow in solids, has been elusive for thirty five years. The recent discovery of a non-classical moment of inertia in solid 4He by Kim and Chan provided the first experimental…
We study the dynamics of adatoms in a model of vicinal (11m) fcc metal surfaces. We examine the role of different diffusion mechanisms and their implications to surface growth. In particular, we study the effect of steps and kinks on adatom…
We study the step meandering instability on a surface characterized by the alternation of terraces with different properties, as in the case of Si(001). The interplay between diffusion anisotropy and step stiffness induces a finite…
Adsorption to a surface, reversible-binding, and trapping are all prevalent scenarios where particles exhibit "stickiness". Escape and first-passage times are known to be drastically affected, but detailed understanding of this phenomenon…