Lo studio del microclima indoor per la conservazione preventiva del Patrimonio storico artistico e culturale

La conservazione preventiva degli edifici storici e dei beni custoditi al loro interno rappresenta una sfida ad oggi condivisa a livello internazionale. Tale conservazione dipende da numerose variabili, tra le quali il microclima indoor gioca un ruolo decisivo. Il fine di questa tesi è verificare come lo studio del microclima indoor, supportato dalla simulazione virtuale e dalla conoscenza storica delle evoluzioni dell’edificio stesso (legate a modifiche impiantistiche; architettoniche; d’uso; ecc., nel corso degli anni), costituiscano una base conoscitiva fondamentale, da cui architetti e restauratori possono partire per definire strategie specifiche, volte alla conservazione preventiva del Patrimonio. Per fare questo, l’autore presenta le indagini svolte per tre casi-studio: la Sala 33 della Reggia di Venaria Reale, in provincia di Torino, Italia; la Biblioteca Generale Storica dell’Università di Salamanca, in Spagna; il Portico della Gloria, nartece della Cattedrale di Santiago de Compostela, in Spagna. La metodologia definita e adottata per l’analisi e l’interpretazione dei dati di ciascun caso-studio ha previsto la comprensione e la messa in relazione tra: scelte costruttive; vicende evolutive delle singole architetture; fattori che ne determinano il microclima, letti (o ipotizzati) nelle relative modifiche diacroniche; degrado delle architetture e dei beni che sono custoditi in esse. Infine, uno degli esiti più innovativi della ricerca è stata la definizione di due indici di rischio: sono stati infatti definiti due nuovi indici (Heritage Microclimate Risk -HMR- e Predicted Risk of Damage -PRD-) legati al microclima degli edifici che ospitano beni e manufatti che costituiscono il patrimonio storico artistico e culturale. Tali indici sono stati definiti tenendo conto di tutte le variabili da cui il microclima dipende e dei fattori che ne determinano l’evolversi nel tempo e nello spazio.

Computer simulation of ordering and dynamics in liquid crystals in the bulk and close to the surface

The aim of this PhD thesis is to investigate the orientational and dynamical properties of liquid crystalline systems, at molecular level and using atomistic computer simulations, to reach a better understanding of material behavior from a microscopic point view. In perspective this should allow to clarify the relation between the micro and macroscopic properties with the objective of predicting or confirming experimental results on these systems. In this context, we developed four different lines of work in the thesis. The first one concerns the orientational order and alignment mechanism of rigid solutes of small dimensions dissolved in a nematic phase formed by the 4-pentyl,4 cyanobiphenyl (5CB) nematic liquid crystal. The orientational distribution of solutes have been obtained with Molecular Dynamics Simulation (MD) and have been compared with experimental data reported in literature. we have also verified the agreement between order parameters and dipolar coupling values measured in NMR experiments. The MD determined effective orientational potentials have been compared with the predictions of Maier­Saupe and Surface tensor models. The second line concerns the development of a correct parametrization able to reproduce the phase transition properties of a prototype of the oligothiophene semiconductor family: sexithiophene (T6). T6 forms two crystalline polymorphs largely studied, and possesses liquid crystalline phases still not well characterized, From simulations we detected a phase transition from crystal to liquid crystal at about 580 K, in agreement with available experiments, and in particular we found two LC phases, smectic and nematic. The crystal­smectic transition is associated to a relevant density variation and to strong conformational changes of T6, namely the molecules in the liquid crystal phase easily assume a bent shape, deviating from the planar structure typical of the crystal. The third line explores a new approach for calculating the viscosity in a nematic through a virtual exper- iment resembling the classical falling sphere experiment. The falling sphere is replaced by an hydrogenated silicon nanoparticle of spherical shape suspended in 5CB, and gravity effects are replaced by a constant force applied to the nanoparticle in a selected direction. Once the nanoparticle reaches a constant velocity, the viscosity of the medium can be evaluated using Stokes' law. With this method we successfully reproduced experimental viscosities and viscosity anisotropy for the solvent 5CB. The last line deals with the study of order induction on nematic molecules by an hydrogenated silicon surface. Gaining predicting power for the anchoring behavior of liquid crystals at surfaces will be a very desirable capability, as many properties related to devices depend on molecular organization close to surfaces. Here we studied, by means of atomistic MD simulations, the flat interface between an hydrogenated (001) silicon surface in contact with a sample of 5CB molecules. We found a planar anchoring of the first layers of 5CB where surface interactions are dominating with respect to the mesogen intermolecular interactions. We also analyzed the interface 5CB­vacuum, finding a homeotropic orientation of the nematic at this interface.

In-car sound linear simulation

In recent years, vehicle acoustics have gained significant importance in new car development: increasingly advanced infotainment systems for spatial audio and sound enhancement algorithms have become the norm in modern vehicles. In the past, car manufacturers had to build numerous prototypes to study the sound behaviour inside the car cabin or the effect of new algorithms under development. Nowadays, advanced simulation techniques can reduce development costs and time. In this work, after selecting the reference test vehicle, a modern luxury sedan equipped with a high-end sound system, two independent tools were developed: a simulation tool created in the Comsol Multiphysics environment and an auralization tool developed in the Cycling ‘74 MAX environment. The simulation tool can calculate the impulse response and acoustic spectrum at a specific position inside the cockpit. Its input data are the vehicle’s geometry, acoustic absorption parameters of materials, the acoustic characteristics and position of loudspeakers, and the type and position of virtual microphones (or microphone arrays). The simulation tool can also provide binaural impulse responses thanks to Head Related Transfer Functions (HRTFs) and an innovative algorithm able to compute the HRTF at any distance and angle from the head. Impulse responses from simulations or acoustic measurements inside the car cabin are processed and fed into the auralization tool, enabling real-time interaction by applying filters, changing the channels gain or displaying the acoustic spectrum. Since the acoustic simulation of a vehicle involves multiple topics, the focus of this work has not only been the development of two tools but also the study and application of new techniques for acoustic characterization of the materials that compose the cockpit and the loudspeaker simulation. Specifically, three different methods have been applied for material characterization through the use of a pressure-velocity probe, a Laser Doppler Vibrometer (LDV), and a microphone array.