Related papers: Influence of Dynamics on Magic Numbers for Silicon…
The diffusion path and diffusivity of oxygen in crystalline silicon are computed using an empirical interatomic potential which was recently developed for modelling the interactions between oxygen and silicon atoms. The diffusion path is…
We use a three dimensional hydrodynamical code to simulate the effect of energy injection on cooling flows in the intracluster medium. Specifically, we compare a simulation of a 10$^{15}$ $M_\odot$ cluster with radiative cooling only, with…
We present the results of a self-consistent $N$-body simulation following the evolution of a primordial population of thick disc globular clusters (GCs). We study how the internal properties of such clusters evolve under the action of…
We have used density functional perturbation theory to investigate the stiffness of interatomic bonds in small clusters of Si, Sn and Pb. As the number of atoms in a cluster is decreased, there is a marked shortening and stiffening of…
We explore the properties of 3-atom complexes of alkali-metal diatomic molecules with alkali-metal atoms, which may be formed in ultracold collisions. We estimate the densities of vibrational states at the energy of atom-diatom collisions,…
We perform semi-classical molecular dynamics simulations of screening by bound electrons in low energy nuclear reactions. In our simulations quantum effects corresponding to the Pauli and Heisenberg principle are enforced by constraints. In…
We report extensive molecular-dynamics simulation results for binary mixtures of hard spheres for different size disparities and different mixing percentages,for packing fractions up to 0.605 and over a characteristic time interval spanning…
This chapter reviews the dynamical processes in young stellar clusters. The accretion of gas by individual stars affects the dynamics of the cluster, and the masses of the stars. Dynamical mass segregation cannot explain the degree of mass…
Hydrogen point defects in silicon still hold unsolved problems, whose disclosure is fundamental for future advances in Si technologies. Among the open issues is the mechanism for the condensation of atomic hydrogen into molecules in Si…
When gold is deposited on Si(553), the surface self-assembles to form a periodic array of steps with nearly perfect structural order. In scanning tunneling microscopy these steps resemble quasi-one-dimensional atomic chains. At temperatures…
We present a study of molecular structures (clumps and clouds) in the dwarf galaxy NGC 404 using high-resolution (0.86x0.51 pc^2) Atacama Large Millimeter/sub-millimeter Array ^{12}CO(2-1) observations. We find two distinct regions in NGC…
We discuss the fine structure and spin dynamics of spin-3/2 centers associated with silicon vacancies in silicon carbide. The centers have optically addressable spin states which makes them highly promising for quantum technologies. The…
Several static and dynamic properties of liquid silicon near melting have been determined from an orbital free {\em ab-initio} molecular dynamics simulation. The calculated static structure is in good agreement with the available X-ray and…
In recent experiments on sodium chloride clusters structural transitions between nanocrystals with different cuboidal shapes were detected. Here we presents results for the thermodynamics and dynamics of one of these clusters, (NaCl)35Cl-.…
We present results from the XMM-Newton observations of our ongoing program on merging clusters. To date three clusters have been observed, covering the temporal sequence from early to late stage mergers: A1750, A2065 and A3921. Using…
Magic numbers are predicted in wide range of the nuclear chart by the self-consistent mean-field calculations with the M3Y-P6 and P7 semi-realistic $NN$ interactions. The magic numbers are identified by vanishing pair correlations in the…
Using first principles molecular dynamics simulations, we have determined the threshold displacement energies and the associated created defects in cubic silicon carbide. Contrary to previous studies using classical molecular dynamics, we…
An optimized interatomic potential has been constructed for silicon using a modified Tersoff model. The potential reproduces a wide range of properties of Si and improves over existing potentials with respect to point defect structures and…
We have performed large-scale Lennard-Jones molecular dynamics simulations of homogeneous vapor-to-liquid nucleation, with $10^9$ atoms. This large number allows us to resolve extremely low nucleation rates, and also provides excellent…
We numerically study the classical and quantum dynamics of an atomic bright soliton in a highly-elongated one-dimensional harmonic trap with a Gaussian barrier. In the regime of the recent experiment by Dyke {\it et al.}, the system…