相关论文: Theory of self-diffusion in GaAs
We present the results of a systematic study using the density functional theory (within the local density approximation) of the effects of biaxial strain and composition on the self-diffusion of Si and Ge in SiGe alloys diffusing by a…
The dynamics of a glass-forming material slow greatly near the glass transition, and molecular motion becomes inhibited. We use confocal microscopy to investigate the motion of colloidal particles near the colloidal glass transition. As the…
Reaction-diffusion equation model for a 2-dimensional gas discharge system is introduced in close relationship with the recent experiment by Nasuno. The model shows formation of spots, molecule-like organization of a cluster of spots,…
Ab initio molecular dynamics simulation is used to study the structure and electronic properties of the liquid Ga-Se system at the three compositions Ga$_2$Se, GaSe and Ga$_2$Se$_3$, and of the GaSe and Ga$_2$Se$_3$ crystals. The calculated…
A detailed description of the statistical distribution of thermal vacancies near the melting point is presented, using copper as an example. As the temperature is increased, the average number of thermal vacancies generated by atoms…
Employing first principles total energy calculations we have studied the behavior of Ga and Al adatoms on the GaAs(001)-beta2 surface. The adsorption site and two relevant diffusion channels are identified. The channels are characterized by…
We study the topological configurations and dynamics of individual point defect vacancies and interstitials in a two-dimensional colloidal crystal. Our Brownian dynamics simulations show that the diffusion mechanism for vacancy defects…
Diffusion of atomic and molecular hydrogen in the interstitial space between graphite sheets has been studied by molecular dynamics simulations. Interatomic interactions were modeled by a tight-binding potential fitted to density-functional…
With the use of {\em ab initio} based molecular dynamics simulations we study the structural, dynamical and electronic properties of glassy g-GeS$_2$ at room temperature. From the radial distribution function we find nearest neighbor…
We use classical molecular dynamics simulations to study the dynamics of sodium atoms in amorphous Na$_2$O-4SiO$_2$. We find that the sodium trajectories form a well connected network of pockets and channels. Inside these channels the…
We performed event-driven simulations of a two-dimensional granular gas between two vibrating walls and directly measured the local heat flux and energy dissipation rate in the stationary state. Describing the local heat flux as a function…
Using high-resolution, three-dimensional hydrodynamical simulations, we investigate the structure of the interstellar medium in the central hundred pc region in galaxies, taking into account self-gravity of the gas, radiative cooling from…
We find that the spin-charge motion in a strongly confined two-dimensional hole gas (2DHG) supports a propagating mode of cubic dispersion apart from the diffusive mode due to momentum scattering. Propagating modes seem to be a generic…
This paper is the fourth in a series exploring the physical consequences of the solidity of highly viscous liquids. It is argued that the two basic characteristics of a flow event (a jump between two energy minima in configuration space)…
A statistical analysis of the geometries of particle trajectories in the supercooled liquid state is reported. We examine two structurally different fragile glass-forming liquids simulated by molecular dynamics. In both liquids, the…
Demixing of binary fluids subjected to slow temperature ramps shows repeated waves of nucleation which arise as a consequence of the competition between generation of supersaturation by the temperature ramp and relaxation of supersaturation…
We study the dynamics of an intruder moving through a fluidized granular medium in three dimensions ($d=3$). The intruder and grains have both translational and rotational degrees of freedom. The energy-dissipation mechanism is solid…
In this work, the short-time dynamics of simple liquid is explored both analytically and numerically with the focus on the interplay between the density fluctuations in a volume surrounding a chosen particle and its random walk motion. The…
The diffusion of intrinsic defects in 3C-SiC is studied using an ab initio method based on density functional theory. The vacancies are shown to migrate on their own sublattice. The carbon split-interstitials and the two relevant silicon…
We consider a porous mediaum flow in which the gas is initially distributed in the exterior of an empty region (a hole) and study the final stage of the hole-filling process. Hole-filling is asymptotically described by a self-similar…