Large Eddy Simulations applied to wind loading and pollutant dispersion

The application of Computational Fluid Dynamics based on the Reynolds-Averaged Navier-Stokes equations to the simulation of bluff body aerodynamics has been thoroughly investigated in the past. Although a satisfactory accuracy can be obtained for some urban physics problems their predictive capability is limited to the mean flow properties, while the ability to accurately predict turbulent fluctuations is recognized to be of fundamental importance when dealing with wind loading and pollution dispersion problems. The need to correctly take into account the flow dynamics when such problems are faced has led researchers to move towards scale-resolving turbulence models such as Large Eddy Simulations (LES). The development and assessment of LES as a tool for the analysis of these problems is nowadays an active research field and represents a demanding engineering challenge. This research work has two objectives. The first one is focused on wind loads assessment and aims to study the capabilities of LES in reproducing wind load effects in terms of internal forces on structural members. This differs from the majority of the existing research, where performance of LES is evaluated only in terms of surface pressures, and is done with a view of adopting LES as a complementary design tools alongside wind tunnel tests. The second objective is the study of LES capabilities in calculating pollutant dispersion in the built environment. The validation of LES in this field is considered to be of the utmost importance in order to conceive healthier and more sustainable cities. In order to validate the numerical setup adopted, a systematic comparison between numerical and experimental data is performed. The obtained results are intended to be used in the drafting of best practice guidelines for the application of LES in the urban physics field with a particular attention to wind load assessment and pollution dispersion problems.

Numerical methods for the dispersion analysis of Guided Waves

The use of guided ultrasonic waves (GUW) has increased considerably in the fields of non-destructive (NDE) testing and structural health monitoring (SHM) due to their ability to perform long range inspections, to probe hidden areas as well as to provide a complete monitoring of the entire waveguide. Guided waves can be fully exploited only once their dispersive properties are known for the given waveguide. In this context, well stated analytical and numerical methods are represented by the Matrix family methods and the Semi Analytical Finite Element (SAFE) methods. However, while the former are limited to simple geometries of finite or infinite extent, the latter can model arbitrary cross-section waveguides of finite domain only. This thesis is aimed at developing three different numerical methods for modelling wave propagation in complex translational invariant systems. First, a classical SAFE formulation for viscoelastic waveguides is extended to account for a three dimensional translational invariant static prestress state. The effect of prestress, residual stress and applied loads on the dispersion properties of the guided waves is shown. Next, a two-and-a-half Boundary Element Method (2.5D BEM) for the dispersion analysis of damped guided waves in waveguides and cavities of arbitrary cross-section is proposed. The attenuation dispersive spectrum due to material damping and geometrical spreading of cavities with arbitrary shape is shown for the first time. Finally, a coupled SAFE-2.5D BEM framework is developed to study the dispersion characteristics of waves in viscoelastic waveguides of arbitrary geometry embedded in infinite solid or liquid media. Dispersion of leaky and non-leaky guided waves in terms of speed and attenuation, as well as the radiated wavefields, can be computed. The results obtained in this thesis can be helpful for the design of both actuation and sensing systems in practical application, as well as to tune experimental setup.

Techniques for Lagrangian modelling of dispersion in geophysical flows

Basic concepts and definitions relative to Lagrangian Particle Dispersion Models (LPDMs)for the description of turbulent dispersion are introduced. The study focusses on LPDMs that use as input, for the large scale motion, fields produced by Eulerian models, with the small scale motions described by Lagrangian Stochastic Models (LSMs). The data of two different dynamical model have been used: a Large Eddy Simulation (LES) and a General Circulation Model (GCM). After reviewing the small scale closure adopted by the Eulerian model, the development and implementation of appropriate LSMs is outlined. The basic requirement of every LPDM used in this work is its fullfillment of the Well Mixed Condition (WMC). For the dispersion description in the GCM domain, a stochastic model of Markov order 0, consistent with the eddy-viscosity closure of the dynamical model, is implemented. A LSM of Markov order 1, more suitable for shorter timescales, has been implemented for the description of the unresolved motion of the LES fields. Different assumptions on the small scale correlation time are made. Tests of the LSM on GCM fields suggest that the use of an interpolation algorithm able to maintain an analytical consistency between the diffusion coefficient and its derivative is mandatory if the model has to satisfy the WMC. Also a dynamical time step selection scheme based on the diffusion coefficient shape is introduced, and the criteria for the integration step selection are discussed. Absolute and relative dispersion experiments are made with various unresolved motion settings for the LSM on LES data, and the results are compared with laboratory data. The study shows that the unresolved turbulence parameterization has a negligible influence on the absolute dispersion, while it affects the contribution of the relative dispersion and meandering to absolute dispersion, as well as the Lagrangian correlation.

Photophysics of Carbon Nanotubes: from Dispersion to Supramolecular Systems

The aim of this PhD thesis is the investigation of the photophysical properties of materials that can be exploited in solar energy conversion. In this context, my research was mainly focused on carbon nanotube-based materials and ruthenium complexes. The first part of the thesis is devoted to carbon nanotubes (CNT), which have unique physical and chemical properties, whose rational control is of substantial interest to widen their application perspectives in many fields. Our goals were (i) to develop novel procedures for supramolecular dispersion, using amphiphilic block copolymers, (ii) to investigate the photophysics of CNT-based multicomponent hybrids and understand the nature of photoinduced interactions between CNT and selected molecular systems such as porphyrins, fullerenes and oligo (p-phynylenevinylenes). We established a new protocol for the dispersion of SWCNTs in aqueous media via non-covalent interactions and demonstrated that some CNT-based hybrids are suitable for testing in PV devices. The second part of the work is focussed on the study of homoleptic and heteroleptic Ru(II) complexes with bipyridine and extended phenanthroline ligands. Our studies demonstrated that these compounds are potentially useful as light harvesting systems for solar energy conversion. Both CNT materials and Ru(II) complexes have turned out to be remarkable examples of photoactive systems. The morphological and photophysical characterization of CNT-based multicomponent systems allowed a satisfactory rationalization of the photoinduced interactions between the individual units, despite several hurdles related to the intrinsic properties of CNTs that prevent, for instance, the utilization of laser spectroscopic techniques. Overall, this work may prompt the design and development of new functional materials for photovoltaic devices.

Modelling, control and testing of internal combustion engines to minimize consumption and pollutant emissions

The objective of the PhD thesis was to research technologies and strategies to reduce fuel consumption and pollutants emission produced by internal combustion engines. In order to meet this objective my activity was focused on the research of advanced controls based on cylinder pressure feedback. These types of control strategies were studied because they present promising results in terms of engine efficiency enhancement. In the PhD dissertation two study cases are presented. The first case is relative to a control strategy to be used at the test bench for the optimisation of the spark advance calibration of motorcycle Engine. The second case is relative to a control strategy to be used directly on board of mining engines with the objective or reducing the engine consumption and correct ageing effects. In both cases the strategies proved to be effective but their implementation required the use of specific toolchains for the measure of the cylinder pressure feedback that for a matter of cost makes feasible the strategy use only for applications: • At test bench • In small-markets like large off-road engines The major bottleneck that prevents the implementation of these strategies on mass production is the cost of cylinder pressure sensor. In order to tackle this issue, during the PhD research, the development of a low-cost sensor for the estimation of cylinder pressure was studied. The prototype was a piezo-electric washer designed to replace the standard spark-plug washer or high-pressure fuel injectors gasket. From the data analysis emerged the possibility to use the piezo-electric prototype signal to evaluate with accuracy several combustion metrics compatible for the implementation of advanced control strategies in on-board applications. Overall, the research shows that advanced combustion controls are feasible and beneficial, not only at the test bench or on stationary engines, but also in mass-produced engines.

Crystal engineering of co-crystals and host-guest systems for environmentally friendly applications: sunscreens stabilization, pollutant sequestering and herbicide reformulation.

Solid state engineered materials have proven to be useful and suitable tools in the quest of new materials. In this thesis different crystalline compounds were synthesized to provide more sustainable products for different applications, as in cosmetics or in agrochemistry, to propose pollutants removal strategy or to obtain materials for electrocatalysis. Therefore, the research projects presented here can be divided into three main topics: (i) sustainable preparation of solid materials of widely used active ingredients aimed at the reduction of their occurrence in the natural environment. The systems studied in this section are cyclodextrins host-guest compounds, obtained via mechanochemical and slurry synthesis. The first chemicals studied are sunscreens inclusion complexes, that proved to have enhanced photostability and desired photoprotection. The same synthetic methods were applied to obtain inclusion complexes of bentazon, a herbicide often found to leach in groundwaters. The resulting products showed to have desired water solubility properties. The same herbicide was also adsorbed on amorphous calcium phosphate nanoparticles, to obtain a biocompatible formulation of this agrochemical. This herbicide could benefit by the adsorption on nanoparticles for what concerns its kinetic release in different media as well as its photostability. (ii) Sustainable synthesis of co-crystals based on polycyclic aromatic hydrocarbons, for the proposal of a sequestering method with a resulting material with enhanced properties. The co-crystallization via mechanochemical means proved that these pollutants can be sequestered via simple solvent-free synthesis and the obtained materials present better photochemical properties when compared to the starting co-formers. (iii) Crystallization from mild solvents of nanosized materials useful for the application in electrocatalysis. The study of compounds based on nickel and cobalt metal ions resulted in the obtainment of 2D and 1D coordination polymers. Moreover, solid solutions were obtained. These crystals showed layered structures and, according to preliminary results, they can be exfoliated.