Related papers: Solid-state diffusion in amorphous zirconolite
We introduce a correlated static model and investigate a percolation transition. The model is a modification of the static model and is characterized by assortative degree-degree correlation. As one varies the edge density, the network…
A droplet falling toward a solid surface displaces the surrounding air until it encounters a defect, and contact nucleates. On atomically smooth surfaces devoid of defects, contact can be delayed until the droplet rebounds; however, above a…
We describe a novel crystal growth instability that enhances the development of thin edges, promoting the formation of plate-like or hollow columnar morphologies. This instability arises when diffusion-limited growth is coupled with…
We characterize a transition from normal to ballistic diffusion in a bouncing ball dynamics. The system is composed of a particle, or an ensemble of non-interacting particles, experiencing elastic collisions with a heavy and periodically…
We incorporate the role of free volume in the density function of the amorphous structure and study its effects on the stability of such structures. The Density Functional Theory is used to explore this ``Free Volume Model'' of the…
Deviations from the perfect atomic arrangements in crystals play an important role in affecting their properties. Similarly, diffusion of such deviations is behind many microstructural changes in solids. However, observation of point defect…
Nucleation is an activated process in which the system has to overcome a free energy barrier in order for a first-order phase transition between the metastable and the stable phases to take place. In the liquid-to-solid transition the…
Using molecular dynamics simulations we investigate the translational dynamics of particles with dipolar interactions in homogenous external fields. For a broad range of concentrations, we find that the anisotropic, yet normal diffusive…
A recent study has demonstrated that phase separation in binary liquid mixtures is arrested in the presence of elastic networks and can lead to a nearly uniformly-sized distribution of the dilute-phase droplets. At longer timescales, these…
We demonstrate the large scale effects of the interplay between shape and hard core interactions in a system with left- and right-pointing arrowheads ~$\textless ~~ \textgreater$~ on a line, with reorientation dynamics. This interplay leads…
The kinetic theory of the Fermi liquid is applied to finite nuclei. The nuclear collective motion is treated in terms of the observable variables: particle density, current density, pressure etc. The nuclear dynamics is influenced strongly…
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…
Specialized Monte Carlo simulation techniques and moment free energy method calculations, capable of treating fractionation exactly, are deployed to study the crystalline phase behaviour of an assembly of spherical particles described by a…
We present a Molecular Dynamics study of large Lennard-Jones clusters evolving on a crystalline surface. The static and the dynamic properties of the cluster are described. We find that large clusters can diffuse rapidly, as experimentally…
Using molecular dynamics simulations, with a realistic many-body embedded-atom potential, and a novel method to characterize local order, we study the structure of pure nickel during the rapid quench of the liquid and in the resulting…
Several recent imaging experiments access the equilibrium density profiles of interacting particles confined to a two-dimensional substrate. When these particles are in a fluid phase, we show that such data yields precise information…
We use molecular dynamics simulations in two dimensions to investigate the possibility that a core-softened potential can reproduce static and dynamic anomalies found experimentally in liquid water: (i) the increase in specific volume upon…
Crystallization represents the prime example of a disorder order transition. In realistic situations, however, container walls and impurities are frequently present and hence crystallization is heterogeneously seeded. Rarely the seeds are…
We perform molecular dynamic simulations of liquid nanoparticles deposited on a disordered substrate. The motion of the nanoparticle is characterised by a 'stick and roll' diffusive process. Long simulation times ($\simeq \mu s$), analysis…
We study numerically the crystallization process in a supersaturated suspension of repulsive colloidal particles driven by simple shear flow. The effect of the shear flow on crystallization is two-fold: while it suppresses the initial…