The Influence of Silicon Nanoclusters on the Optical Properties of a-SiNx Samples: A Theoretical Study

By means of ab-initio calculations we investigate the optical properties of pure a-SiN$_x$ samples, with $x \in [0.4, 1.8]$, and samples embedding silicon nanoclusters (NCs) of diameter $0.5 \leq d \leq 1.0$ nm. In the pure samples the optical absorption gap and the radiative recombination rate vary according to the concentration of Si-N bonds. In the presence of NCs the radiative rate of the samples is barely affected, indicating that the intense photoluminescence of experimental samples is mostly due to the matrix itself rather than to the NCs. Besides, we evidence an important role of Si-N-Si bonds at the NC/matrix interface in the observed photoluminescence trend

Le tecnologie GRID: dal supercalcolo ai servizi

2006-11-28Sardegna Ricerche, Edificio 2, Località Piscinamanna 09010 Pula (CA) - ItaliaKick-off Meeting del Progetto GRIDA

Polarization anisotropy in the optical properties of silicon ellipsoids

A new real space quantum mechanical approach with local field effects included is applied to the calculation of the optical properties of silicon nanocrystals. Silicon ellipsoids are studied and the role of surface polarization is discussed in details. In particular, surface polarization is shown to be responsible for a strong optical anisotropy in silicon ellipsoids, much more pronounced with respect to the case in which only quantum confinement effects are considered. The static dielectric constant and the absorption spectra are calculated, showing that the perpendicular and parallel components have a very different dependence on the ellipsoid aspect ratio. Then, a comparison with the classical dielectric model is performed, showing that the model only works for large and regular structures, but it fails for thin elongated ellipsoids.Comment: 5 pages, 4 figures, International Conference on NANO-Structures Self-Assemblin

Quantum annealing of the Traveling Salesman Problem

We propose a path-integral Monte Carlo quantum annealing scheme for the symmetric Traveling Salesman Problem, based on a highly constrained Ising-like representation, and we compare its performance against standard thermal Simulated Annealing. The Monte Carlo moves implemented are standard, and consist in restructuring a tour by exchanging two links (2-opt moves). The quantum annealing scheme, even with a drastically simple form of kinetic energy, appears definitely superior to the classical one, when tested on a 1002 city instance of the standard TSPLIB.Comment: 5 pages, 2 figure

Combining rare events techniques: phase change in Si nanoparticles

We introduce a combined Restrained MD/Parallel Tempering approach to study the difference in free energy as a function of a set of collective variables between two states in presence of unknown slow degrees of freedom. We applied this method to study the relative stability of the amorphous vs crystalline nanoparticles of size ranging between 0.8 and 1.8 nm as a function of the temperature. We found that, at variance with bulk systems, at low T small nanoparticles are amorphous and undergo an amorphous-to-crystalline phase transition at higher T. On the contrary, large nanoparticles recover the bulk-like behavior: crystalline at low $T$ and amorphous at high T

L'ARPAS come utente e fornitore di dati e applicazioni ambientali

2006-11-28Sardegna Ricerche, Edificio 2, Località Piscinamanna 09010 Pula (CA) - ItaliaKick-off Meeting del Progetto GRIDA

Applicazioni GIS distribuite

2006-10-28Sardegna Ricerche, Edificio 2, Località Piscinamanna 09010 Pula (CA) - ItaliaKick-off Meeting del Progetto GRIDA

Database distribuiti al servizio di sistemi ambientali avanzati: l'esperienza Datacrossing

2006-11-28Sardegna Ricerche, Edificio 2, Località Piscinamanna 09010 Pula (CA) - ItaliaKick-off Meeting del Progetto GRIDA

The Multiparticle Quantum Arnol'd Cat: a test case for the decoherence approach to quantum chaos

A multi-particle extension of the Arnol'd Cat Hamiltonian system is defined and examined. We propose to compute its Alicki-Fannes quantum dynamical entropy, to validate (or disprove) the validity of the decoherence approach to quantum chaos. A first set of numerical experiments is presented and discussed.Comment: To appear in the Journal of the Siberian Federal Universit

Dynamical and radiative properties of astrophysical supersonic jets I. Cocoon morphologies

We present the results of a numerical analysis of the propagation and interaction of a supersonic jet with the external medium. We discuss the motion of the head of the jet into the ambient in different physical conditions, carrying out calculations with different Mach numbers and density ratios of the jet to the exteriors. Performing the calculation in a reference frame in motion with the jet head, we can follow in detail its long term dynamics. This numerical scheme allows us also to study the morphology of the cocoon for different physical parameters. We find that the propagation velocity of the jet head into the ambient medium strongly influences the morphology of the cocoon, and this result can be relevant in connection to the origin and structure of lobes in extragalactic radiosources.Comment: 14 pages, TeX. Accepted for A&