Fast and accurate numerical solutions in some problems of particle and radiation transport: synthetic acceleration for the method of short characteristics, Doppler-broadened scattering kernel, remote sensing of the cryosphere

The aim of this work is to present various aspects of numerical simulation of particle and radiation transport for industrial and environmental protection applications, to enable the analysis of complex physical processes in a fast, reliable, and efficient way. In the first part we deal with speed-up of numerical simulation of neutron transport for nuclear reactor core analysis. The convergence properties of the source iteration scheme of the Method of Characteristics applied to be heterogeneous structured geometries has been enhanced by means of Boundary Projection Acceleration, enabling the study of 2D and 3D geometries with transport theory without spatial homogenization. The computational performances have been verified with the C5G7 2D and 3D benchmarks, showing a sensible reduction of iterations and CPU time. The second part is devoted to the study of temperature-dependent elastic scattering of neutrons for heavy isotopes near to the thermal zone. A numerical computation of the Doppler convolution of the elastic scattering kernel based on the gas model is presented, for a general energy dependent cross section and scattering law in the center of mass system. The range of integration has been optimized employing a numerical cutoff, allowing a faster numerical evaluation of the convolution integral. Legendre moments of the transfer kernel are subsequently obtained by direct quadrature and a numerical analysis of the convergence is presented. In the third part we focus our attention to remote sensing applications of radiative transfer employed to investigate the Earth's cryosphere. The photon transport equation is applied to simulate reflectivity of glaciers varying the age of the layer of snow or ice, its thickness, the presence or not other underlying layers, the degree of dust included in the snow, creating a framework able to decipher spectral signals collected by orbiting detectors.

Modelli e tecnologie ad attori: analisi delle performance

Studio dei limiti della programmazione ad oggetti concorrente e introduzione dei modelli di concorrenza alternativi forniti in letteratura, prendendo gli attori come caso studio. Analisi delle performance della libreria ad attori Akka e confronto con i meccanismi forniti da Java 7.

Numerical and experimental investigation of turbulent dissipation

Turbulent energy dissipation is presented in the theoretical context of the famous Kolmogorov theory, formulated in 1941. Some remarks and comments about this theory help the reader understand the approach to turbulence study, as well as give some basic insights to the problem. A clear distinction is made amongst dissipation, pseudo-dissipation and dissipation surrogates. Dissipation regulates how turbulent kinetic energy in a flow gets transformed into internal energy, which makes this quantity a fundamental characteristic to investigate in order to enhance our understanding of turbulence. The dissertation focuses on experimental investigation of the pseudo-dissipation. Indeed this quantity is difficult to measure as it requires the knowledge of all the possible derivatives of the three dimensional velocity field. Once considering an hot-wire technique to measure dissipation we need to deal with surrogates of dissipation, since not all the terms can be measured. The analysis of surrogates is the main topic of this work. In particular two flows, the turbulent channel and the turbulent jet, are considered. These canonic flows, introduced in a brief fashion, are often used as a benchmark for CFD solvers and experimental equipment due to their simple structure. Observations made in the canonic flows are often transferable to more complicated and interesting cases, with many industrial applications. The main tools of investigation are DNS simulations and experimental measures. DNS data are used as a benchmark for the experimental results since all the components of dissipation are known within the numerical simulation. The results of some DNS were already available at the start of this thesis, so the main work consisted in reading and processing the data. Experiments were carried out by means of hot-wire anemometry, described in detail on a theoretical and practical level. The study of DNS data of a turbulent channel at Re=298 reveals that the traditional surrogate can be improved Consequently two new surrogates are proposed and analysed, based on terms of the velocity gradient that are easy to measure experimentally. We manage to find a formulation that improves the accuracy of surrogates by an order of magnitude. For the jet flow results from a DNS at Re=1600 of a temporal jet, and results from our experimental facility CAT at Re=70000, are compared to validate the experiment. It is found that the ratio between components of the dissipation differs between DNS and experimental data. Possible errors in both sets of data are discussed, and some ways to improve the data are proposed.

Higher-order perturbative relativistic corrections to energies and properties

Relativistic effects need to be considered in quantum-chemical calculations on systems including heavy elements or when aiming at high accuracy for molecules containing only lighter elements. In the latter case, consideration of relativistic effects via perturbation theory is an attractive option. Among the available techniques, Direct Perturbation Theory (DPT) in its lowest order (DPT2) has become a standard tool for the calculation of relativistic corrections to energies and properties.In this work, the DPT treatment is extended to the next order (DPT4). It is demonstrated that the DPT4 correction can be obtained as a second derivative of the energy with respect to the relativistic perturbation parameter. Accordingly, differentiation of a suitable Lagrangian, thereby taking into account all constraints on the wave function, provides analytic expressions for the fourth-order energy corrections. The latter have been implemented at the Hartree-Fock level and within second-order Møller-Plesset perturbaton theory using standard analytic second-derivative techniques into the CFOUR program package. For closed-shell systems, the DPT4 corrections consist of higher-order scalar-relativistic effects as well as spin-orbit corrections with the latter appearing here for the first time in the DPT series.Relativistic corrections are reported for energies as well as for first-order electrical properties and compared to results from rigorous four-component benchmark calculations in order to judge the accuracy and convergence of the DPT expansion for both the scalar-relativistic as well as the spin-orbit contributions. Additionally, the importance of relativistic effects to the bromine and iodine quadrupole-coupling tensors is investigated in a joint experimental and theoretical study concerning the rotational spectra of CH2BrF, CHBrF2, and CH2FI.