Η παρούσα εργασία εστιάζεται στη μελέτη και την αλγοριθμική υλοποίηση των κλασσικών θεωριών Ενεργού Μέσου που αναπτύχθηκαν από τους Maxwell-Garnett και Bruggeman, μεταγενέστερες επεκτάσεις τους καθώς επίσης και ενός μοντέλου βασισμένο στη «θεωρία Mie», με σκοπό να διερευνηθεί εάν και σε ποιόν βαθμό, μπορούν να συμβάλλουν στην προσομοίωση του φαινομένου της τραχύτητας των διεπιφανειών μιας πολυστρωματικής δομής. Στόχος ακόμα της εργασίας είναι η ανάπτυξη φιλικού προς το χρήστη λογισμικού σε περιβάλλον Matlab, το οποίο να ενσωματώνει όλες τις υλοποιήσεις των ανωτέρω θεωριών Ενεργού Μέσου αλλά και εν μέρει να αυτοματοποιεί μέσω αυτών, τη αντιμετώπιση του φαινομένου της τραχύτητας. Το λογισμικό που αναπτύχθηκε συνδυάστηκε με υφιστάμενο λογισμικό της θεωρίας Χαρακτηριστικού Πίνακα για την συνολική αποτίμηση των οπτικών ιδιοτήτων σύνθετων επιστρώσεων. Στο πειραματικό σκέλος της εργασίας, αναπτύχθηκαν με τις μεθόδους Doctor Blade και εξάχνωσης με πυροβόλο δέσμης ηλεκτρονίων, δείγματα μονής επίστρωσης (διηλεκτρικών 𝑇𝑇𝑇2,𝑍𝑛𝑇), διπλής επίστρωσης τύπου «διηλεκτρικό-μέταλλο» (𝑊𝑇3/𝐴𝑔) και τριπλής επίστρωσης τύπου «διηλεκτρικό–μέταλλο-διηλεκτρικό» (𝑊𝑇3/𝐴𝑔/𝑊𝑇3). Για την ασφαλή αξιολόγηση των διαφόρων θεωρητικών μοντέλων που αναπτύχθηκαν, διενεργήθηκαν πολλαπλές μετρήσεις μορφολογίας, πάχους, τραχύτητας και οπτικής συμπεριφοράς (AFM, SEM, XRR, Προφιλομετρία ακίδας, UV-Vis φασματομετρία) Έτσι, τα πεδία σύγκρισης των μοντέλων με τα πειραματικά δεδομένα ήταν τα διαγράμματα φασματικής διαπερατότητας/ανακλαστικότητας και τα επιμέρους πάχη των συμπαγών στρωμάτων και των διεπιφανειών. Από τις απόπειρες προσομοίωσης των παραπάνω επιστρώσεων προκύπτουν σημαντικά συμπεράσματα αναφορικά με την εγκυρότητα των θεωρητικών μοντέλων ως προς την ικανότητα περιγραφής της οπτικής συμπεριφοράς. Το μοντέλο “Mie” περιγράφει εξαιρετικά την οπτική συμπεριφορά απλών υμενίων με έντονη παρουσία αέρα στο εσωτερικό τους, ανεξάρτητα από τα χαρακτηριστικά τραχύτητας που παρουσιάζουν. Αντίθετα, η εγκυρότητα των θεωριών Ενεργού Μέσου σε αυτές τις περιπτώσεις εξαρτάται αυστηρά από τα χαρακτηριστικά τραχύτητας. Παρόλα αυτά οι θεωρίες Ενεργού Μέσου και ιδιαίτερα η περίπτωση Bruggeman, επιτυγχάνουν μια ιδιαίτερα σημαντική βελτίωση στην πρόβλεψη της οπτικής συμπεριφοράς πολυστρωματικών επιστρώσεων – όπου η θεωρία Mie αποτυγχάνει - με την ενσωμάτωσης της τραχύτητας επιφάνειας και διεπαφών. Τέλος δίνονται κατευθύνσεις για την περεταίρω βελτίωση των μοντέλων εξομοίωσης της τραχύτητας αλλά και για την ανάπτυξη ενός ολοκληρωμένου προγράμματος που θα αντιμετωπίζει συνολικά το θέμα της θεωρητικής σχεδίασης επιστρώσεων λεπτών υμενίων. Αποτελέσματα της παρούσας, χρησιμοποιήθηκαν στην δημοσιευθείσα εργασία: • E. Koubli, S. Tsakanikas, G. Leftheriotis*, G. Syrrokostas and P. Yianoulis, Optical properties and stability of near-optimum WO3/Ag/WO3, Solid State Ionics. / This work focuses on the study and algorithmic implementation of the classical Effective Medium theories developed by Maxwell-Garnett and Bruggeman, subsequently extended versions of them as well as a “Mie Theory” based model, in order to investigate whether - and to which extend - they can be exploited for the simulation of surface and interface roughness of a multilayer structure. It also aims in the development of user-friendly software (Matlab graphical user interface), which will integrate the implementations of all the above theories, in order to easily attain different approaches to the composite medium and to deal with the phenomenon of roughness. The overall assessment of the optical properties of composite, multilayer coatings was achieved by the combination of the software described above with an existing Transfer Matrix program. The experimental part of this work included the development, through Doctor Blade and E-gun Vapor Deposition techniques, of single-layer coatings (𝑇𝑇𝑇2, ZnO dielectrics), double-layer coatings of the "dielectric-metal" type (𝑊𝑇3/𝐴𝑔) and triple-layer coatings of the "dielectric-metal-dielectric" type (𝑊𝑇3/𝐴𝑔/𝑊𝑇3). For the safe evaluation of the developed theoretical models, multiple experimental techniques (AFM, SEM, XRR, Step Profilometry, and UV-Vis Spectrometry) were used for the measurement of the morphology, thickness, roughness and optical performance of the coatings. Thus, the evaluation of the theoretical models was based upon the comparison to the experimental data, using criteria such as the spectral transmittance/reflectance response and the thickness of the individual compact layers and interfaces of the coatings. The simulations of the above coatings yielded important conclusions regarding the validity of the theoretical models in the description of optical behavior. "Mie" model is found to describe extremely well the optical properties of simple thin-films containing significant amounts of air, regardless of the roughness characteristics that they present. On the contrary, the validity of Effective Medium theories in such cases is strongly dependent on the characteristics of roughness. Nevertheless Effective Medium theories and particularly the case of Bruggeman are proved to significantly contribute in the forecasting of multilayer coatings’ optical behavior - where Mie theory fails – by the incorporation of surface and interfaces roughness. Finally, directions are given for further improvement for the roughness simulation models as well as for the development of a complete program that would holistically account for the theoretical design/simulation of thin-film coatings. Results of the present work were used in the following published paper: • E. Koubli, S. Tsakanikas, G. Leftheriotis*, G. Syrrokostas and P. Yianoulis, Optical properties and stability of near-optimum WO3/Ag/WO3, Solid State Ionics.

Strongly localised plasmons in metallic nano-structures offer exciting characteristics for guiding and focusing light on the nano-scale, opening the way for the development of new types of sensors, circuitry and improved resolution of optical microscopy. The work presented in this thesis focuses on two major areas of plasmonics research - nano-focusing structures and nano-sized waveguides. Nano-focusing structures focus light to an area smaller than the wavelength and will find applications in sensing, efficiently coupling light to nano-scale devices, as well as improving the resolution of near field microscopy. In the past the majority of nano-focusing structures have been nano-scale cones or tips, which are capable of focusing light to a spot of nano-scale area whilst enhancing the light field. The alternatives are triangular nano-focusing structures which have received far less attention, and only one type of triangular nano-focusing structure is known – a sharp V-groove in a metal substrate. This structure focuses light to a strip of nano-scale width, which may lead to new applications in microscopy and sensing. The difficulty with implementing the V-groove is that the structure is not robust and is quite difficult to fabricate. This thesis aims to develop new triangular nano-focusing devices which will overcome these difficulties, whilst still producing an intense light source on the nano-scale. The two proposed structures presented in this thesis are a metallic wedge submerged in uniform dielectric and a tapered metal film lying on a dielectric substrate, the latter being the easier to fabricate and the more structurally sound and robust. The investigation is performed using the approximation of continuous electrodynamics, the geometrical optics approximation and the zero-plane method. The second aim of this thesis is to investigate plasmonic waveguides and couplers for the development of nano-optical circuitry, more compact photonic devices and sensors. The research will attempt to fill the gaps in the current knowledge of the V-groove waveguide, which consists of a sharp triangular groove in a metal substrate, and the gap plasmon waveguide, which consists of a rectangular slot in a thin metal film. The majority of this work will be performed using the author’s in house finite-difference time-domain algorithm and FEMLAB as well as the effective medium method and geometric optics approximation. The V-groove may be used as either a nano-focusing or waveguiding device. As a waveguide the V-groove is one of the most promising plasmonic waveguides in the optical regime. However, there exist quite a number of gaps in the current knowledge of V-groove waveguides which this thesis will attempt to fill. In particular, the effect of rounded groove tip on plasmon propagation has been assessed for the V-groove. The investigation of rounded groove tip is important, as due to modern fabrication processes it’s not possibly to produce an infinitely sharp groove, and the existing literature has not considered the impact of this problem. The thesis will also investigate the impacts of the inclusion of dielectric filling in the groove on plasmon propagation parameters. This research will be important for optimising the propagation characteristics of the mode for certain applications, but it may also lead to easier methods of fabricating the V-groove device and prevent oxidation of the metal film. The gap plasmon waveguide is easier to fabricate than the V-groove, and is a new type of sub-wavelength waveguide which displays many advantages over other types of plasmon waveguides, including ease of fabrication, almost 100% transmission around sharp bends, sub-wavelength localisation and long propagation distances of the guided mode, etc. This waveguide may prove invaluable in the development of compact photonic devices. In the past the modes supported by this structure were not thoroughly analysed and the possibility of using this structure to develop sub-wavelength couplers for sensing and nano-optical circuits was not considered in detail. This thesis aims to resolve these issues. In conclusion, the results of this thesis will lead to a better understanding of Vgroove and gap plasmon waveguide devices for the development of nano-optical circuits, compact photonic devices and sensors. This thesis also proposes two new nano-focusing structures which are easier to fabricate than the V-groove structure and will lead to applications in sensing, coupling light efficiently into nano-scale devices and improving the resolution of near-field microscopy.

No description available.

<p dir="ltr">High-power microwave (HPM) devices are generally vacuum-based devices that transform electron beam energy into microwaves with peak powers above 100 MW from 1-300 GHz. Solid-state HPM devices provide more compactness and greater reliability while consuming less power. Nonlinear transmission lines (NLTLs) provide a solid-state alternative to HPM generation by sharpening the input pulses from a pulse forming network to create output oscillations.</p><p dir="ltr">The first section of this dissertation evaluates and explores the feasibility of using nonlinear composites containing ferroelectric (e.g., Ba_2/3Sr_1/3TiO₃, BST) and/or ferromagnetic (e.g., Ni_1/2Zn_1/2Fe₂O₄, NZF) inclusions in a linear polymer host (polydimethylsiloxane, PDMS) to tune NLTL properties for HPM applications. Appropriately modelling and designing NLTLs using nonlinear composites require accurately characterizing their linear and nonlinear electromagnetic properties. We first studied the electromagnetic properties of the composites using theoretical, numerical, and experimental approaches. Incorporating these composite models and characterizations into NLTL simulations will be discussed.</p><p dir="ltr">Vacuum-based HPM devices, such as magnetrons and crossed-field amplifiers, generally operate in the space-charge-limited region, which corresponds to the maximum current possible for insertion into the device. This motivated studying the space-charge-limited current and electron flow in a two-dimensional (2D) planar diode with various crossed-magnetic fields using particle-in-cell (PIC) simulations. For non-magnetically insulated diodes (electrons emitted from the cathode can reach the anode), analytical and/or semi-empirical solutions are derived for electrons with nonzero monoenergetic initial velocity that agree well with PIC simulations. For magnetically insulated conditions, we developed new metrics using simulations and analytic theories to assess electron cycloidal and Brillouin flow to understand the implications of increasing injection current for 2D diodes. These analyses provide details on the operation of these devices at high currents, particularly virtual cathode operation, that may elucidate behavior near their limits of operation.</p>

Auf dielektrische Substrate wurden Schichten aus Gold thermisch aufgedampft. Die Schichten wurden neben anderen Methoden wie AFM oder der Messung der Schichtleitfähigkeiten hauptsächlich mit Hilfe der spektroskopischen IR-Ellipsometrie (SIRE) in einem Schichtdickenbereich von 4 bis 60 nm systematisch untersucht. Aus den primär ermittelten ellipsometrischen Parametern tan(Psi) und Delta lassen sich der Brechungsindex n und der Absorptionsindex k bestimmen und auch weitere Größen wie z.B. der elektrische Widerstand bzw. die elektrische Leitfähigkeit errechnen. Die untersuchten Schichten lassen sich anhand der optischen, topographischen und elektrischen Eigenschaften in drei Gruppen einteilen: Dielektrische, aus isolierten Goldinseln bestehende Filme (4 bis 6 nm), Schichten in einem Übergangsbereich (8 bis ca. 16 nm), metallische Schichten (ab ca. 16 nm). Die dielektrischen Goldinselfilme zeigen optische Eigenschaften, die bislang für keine anderen Proben beschrieben worden sind. Der Brechungsindex n ist hoch (4 bis 9 bei 2400/cm) und der Absorptionsindex k klein (0 bis 4 bei 2400/cm). Beide Indizes sind spektral weitgehend konstant. Daß diese Filme dielektrische Eigenschaften besitzen, steht in direktem Widerspruch zur allgemeinen SEIRA-Literatur. Die Inselstruktur der dielektrischen Filme verursacht einen Verstärkungseffekt, der als Oberflächenverstärkte Infrarotabsorption (surface-enhanced infrared absorption - SEIRA) bekannt ist. Es zeigte sich, daß die optischen Konstanten der Filme einen erheblichen Einfluß auf die SEIRA-Verstärkung ausüben. Um Inselfilme mit reproduzierbaren optischen Eigenschaften herstellen zu können, wurde ein lithographisches Verfahren entwickelt. Auf einer geschlossenen, homogenen Goldschicht wurden monodisperse Nanopartikel aus Polystyrol (PS) in einer Monolage deponiert. Die PS-Nanopartikel dienten in einem trockenen Ätzprozeß im Ar-Plasma als lithographische Maske, um die darunterliegende Au-Schicht zu strukturieren. / Thin films were produced on dielectric substrates by thermal evaporation of gold in a high vacuum chamber. These films were investigated systematically in a range between 4 and 60 nm thickness. The method mainly applied was the spectroscopic IR-ellipsometry (SIRE), in addition to other methods like AFM or sheet resistance measurement. The primary results are the ellipsometric parameters tan(Psi) and Delta. They were used to determine the refractive index n and the absorption index k. Electrical parameters can also be calculated. Depending on the optical, topographical and electrical properties the population of different layers can be divided into three parts: dielectric films with isolated gold islands (4 to 6 nm), layers in a transient area (8 to ca. 16 nm), metal films (ca. 16 to 60 nm). The optical properties shown by dielectric gold island films were never before described for other samples. The refractive index n is high (4 to 9 at 2400/cm) and the absorption index small (0 to 4 at 2400/cm). Both indices are nearly constant in the spectral range. Directly in contrast to the SEIRA-literature the island films show dielectric properties. The island structure of the dielectric films gives rise to an enhancement effect called surface-enhanced infrared absorption (SEIRA). It could be shown that the optical constants of the island films have a considerable influence on the enhancement factors. A lithographic method was developed in order to find a way for manufacturing island films with reproducible optical properties. Monodispers polystyrene nanoparticles were deposited in a monolayer on a dense gold layer on a dielectric substrate. The layer of nanoparticles was used as a mask for a dry etch process in a reactive Ar-plasma.

Les traitements antireflets (AR) sont très largement utilisés pour améliorer la transmission de systèmes optiques composés de hublots, lentilles, de lames séparatrices,… Dans cette thèse les gammes spectrales visées sont le visible étendu [400-1800nm] et le moyen infrarouge [3,7-4,8µm]. La méthode de nanostructuration par dépôts de films minces utilisant des techniques PVD en incidence oblique (Oblique Angle Deposition) a été choisie car elle permet d’envisager des AR hautes performances sur une large gamme de longueur d’onde, via un procédé industrialisable. L’introduction de porosité via le contrôle des angles de dépôt est utilisée pour nanostructurer l’architecture de chaque couche et de l’empilement ; méthode permettant de modifier et d’optimiser les propriétés optiques des couches constituantes en vue d’un design complet optimal. Une cartographie des indices effectifs accessibles par OAD a été dégagée concernant les trois matériaux déposés (TiO2, SiO2 et Ge). Mais les propriétés optiques de ces couches nanostructurées diffèrent largement de celles des couches denses du fait de la présence d’anisotropie, de gradient d’indice, de diffusion et d’absorption. A partir de caractérisations microstructurales, chimiques et optiques poussées (AFM, MEB, MET, tomographie FIB, tomographie MET, EDX, EELS, spectrophotométrie et ellipsométrie généralisée) un modèle optique analytique plus complexe et couplé à des analyses par éléments finis (FDTD) est présenté. L’ensemble du travail a permis d’élaborer par OAD de simples antireflet bicouches démontrant déjà de hauts niveaux de transmission, supérieurs aux traitements AR existants (interférentiel) ou en développement (Moth-eyes). / Anti-reflective (AR) coatings are widely used to improve the transmission of optical systems composed of window, lenses, separating filters,... In this thesis, the spectral ranges targeted are the extended visible [400-1800nm] and the mid infrared [3.7-4.8µm]. Thin film deposition nanostructuring method using oblique angle deposition (oblique angle deposition) PVD technique was chosen because it allows high performance AR to be considered over a wide wavelength range, by an industrial process. The introduction of porosity with the control of deposition angle is used to nanostructure the architecture of each layer and stack; a method for modifying and optimizing the optical properties of the constituent layers for optimal complete design. A mapping of the effective indices accessible by OAD has been identified for the three materials deposited (TiO2, SiO2 and Ge). However optical properties of these nanostructured layers differ greatly from those of dense layers due to the presence of anisotropy, index gradient, diffusion and absorption. Based on advanced microstructural, chemical and optical characterizations (AFM, SEM, TEM, FIB tomography, TEM tomography, EDX, EELS, spectrophotometry and generalized ellipsometry) a more complex analytical optical model coupled with finite element analyses (FDTD) is presented. All the work has enabled OAD to develop simple two-layer anti-reflective coatings that already demonstrate high levels of transmission, superior to existing (interferential) or work in progress (Moth-eyes) AR treatments.

Pour les roches saturées, la comparaison entre les mesures ultrasoniques (1 MHz) au laboratoire et les mesures sismiques (100 Hz) ou de diagraphie (10 kHz) sur le terrain n’est pas directe à cause de la dispersion des vitesses des ondes. Les mécanismes impliqués dans la dépendance en fréquence sont les écoulements de fluides à différentes échelles provoqués par le passage de l’onde. La dispersion et l’atténuation des modules élastiques de roches carbonatées ont été étudiées expérimentalement. Les calcaires étudiés sont : un Lavoux, un Indiana intact et craqué thermiquement, un calcaire Urgonien de Provence (Rustrel), et un coquina pré-sel du Congo. Les mesures ont été faites sur une large gamme de fréquence, en combinant les techniques d’oscillations forcées (10-3 to 102 Hz) et ultrasoniques (1 MHz) dans une presse triaxiale, pour différentes pressions effectives. Le forçage peut être hydrostatique pour mesurer un module d’incompressibilité, ou axial pour mesurer le module de Young et le coefficient de Poisson. Pour étudier l’effet de la viscosité, les mesures ont été faites en condition sèche, puis saturée en glycérine et en eau. Le drainage global et le mécanisme d’écoulement crack-pore ont été caractérisés, en termes d’amplitude de dispersion, d’atténuation viscoélastique, et de fréquence de coupure. Pour nos échantillons, la théorie de Biot-Gassmann s’est montrée valide pour les fréquences sismiques (10-100 Hz) sauf pour l’Indiana craqué thermiquement. La dispersion liée à des écoulements crackspores a été observée pour tous les échantillons sauf le Lavoux. Les fréquences de coupures de ceux-ci sont toutes dans la gamme des fréquences des diagraphies (10 kHz) pour des conditions de saturation en eau. Un modèle simple, combinant poroélasticité et milieux effectifs, a été développé pour prédire la dispersion des modules sur toute la gamme de fréquence, et s’est montré généralement en accord avec les résultats expérimentaux. / For fluid-saturated rocks, comparing ultrasonic measurements (1 MHz) in the laboratory and seismic (100 Hz) or logging (10 kHz) measurements in the field is not straightforward due to dispersion of the bodywave velocities. The frequency-dependent mechanisms involved are wave-induced fluid flows that occur at different scales. The dispersion and the attenuation of the elastic moduli of four fluid-saturated carbonate rocks have been studied experimentally. The selected limestones were a Lavoux, an intact and thermally cracked Indiana, a Urgonian limestone from Provence (Rustrel), and a presalt coquina from offshore Congo. Measurements were done over a large frequency range, by the combination of forced oscillations (10-3 to 102 Hz) and ultrasonic measurements (1 MHz) in a triaxial cell, at various effective pressures. The forced oscillations were either hydrostatic to deduce the bulk modulus, or axial to deduce Young’s modulus and Poisson’s ratio. The measurements were done in dry-, glycerinand water-saturated conditions to investigate the effect of viscosity. For all our samples, the global drainage and the squirt-flow mechanisms were characterized experimentally, in terms of amplitude of dispersion, amount of viscoelastic attenuation, and cut-off frequencies. Biot- Gassmann’s theory was found to be valid at seismic frequencies (10-100 Hz) for all the samples except the thermally cracked Indiana. Squirt-flow transitions were observed for all the samples, except the Lavoux. The cut-off frequencies were all in the range of logging frequencies (10 kHz), for watersaturated conditions. A simple model, combining poroelasticity and the noninteraction approximation effective medium, was developed to predict the dispersion of the moduli over the whole frequency range, and was generally in agreement with the experimental results.

Magister Scientiae - MSc (Physics) / An increasing energy demand and growing environmental concerns regarding the use of fossil fuels in South Africa has led to the challenge to explore cheap, alternative sources of energy. The generation of electricity from Photovoltaic (PV) devices such as solar cells is currently seen as a viable alternative source of clean energy. As such, crystalline, amorphous and nanocrystalline silicon thin films are expected to play increasingly important roles as economically viable materials for PV development. Despite the growing interest shown in these materials, challenges such as the partial understanding of standardized measurement protocols, and the relationship between the structure and optoelectronic properties still need to be overcome.

This thesis explores the heat transfer characteristics of a packed bed thermal energy storage device through the development of a 3D model in COMSOL Multiphysics. The model is based on a laboratory-scale device consisting of an aluminum box filled with sand, which acts as the thermal storage medium. The medium is heated using two resistance heaters that are embedded into the sand. The heaters are raised to approximately 500°C during the experiment. Three thermocouples placed in the sand record the temperature during charging, thus generating a time-dependent temperature curve at three points. The model simulates this experimental system, and the resulting temperature distribution is compared to the experimental data to assess the model validity. To determine the temperature throughout the storage system at all times, the model solves the heat equation. The density and heat capacity of the sand are measured and added to the model. The model uses the effective medium technique to estimate the thermal conductivity of the sand. A secondary model is developed in Excel to calculate the effective thermal conductivity using twelve different correlations, and the results are compared. The Zehner-Bauer correlation with an added Damköhler radiation term predicted an effective thermal conductivity of 0.218 W/(m·K) at 25°C and 0.451 W/(m·K) at 500°C, with slightly exponential growth due to the influence of thermal radiation. When these values for conductivity are applied to the COMSOL model, there is strong agreement (average percent error &lt; 5%) with the experimental temperature distributions. A parametric study is performed, and shows that increasing grain size and emissivity could increase the thermal conductivity by making use of the exponential growth of thermal radiation. The model serves as a design and learning tool, and a starting point for improving the performance of the thermal energy storage system. / Detta examensarbete undersöker värmeöverföringsegenskaperna hos en termisk energilagringsenhet med packad bädd genom utveckling av en 3D-modell i COMSOL Multiphysics. Modellen är baserad på en enhet i laboratorieskala som består av en aluminiumlåda fylld med sand, som fungerar som det termiska lagringsmediet. Mediet värms upp med hjälp av två motståndsvärmare som är inbäddade i sanden. Värmeelementen höjs till ca 500°C under experimentet. Tre termoelement placerade i sanden registrerar temperaturen under laddningen och genererar på så sätt en tidsberoende temperaturkurva i tre punkter. Modellen simulerar detta experimentella system, och den resulterande temperaturfördelningen jämförs med experimentella data för att bedöma modellens giltighet. För att bestämma temperaturen i hela lagringssystemet vid alla tidpunkter löser modellen värmeekvationen. Sandens densitet och värmekapacitet mäts och läggs till i modellen. Modellen använder den effektiva mediumtekniken för att uppskatta sandens värmeledningsförmåga. En sekundär modell utvecklas i Excel för att beräkna den effektiva värmeledningsförmågan med hjälp av tolv olika korrelationer, och resultaten jämförs. Zehner-Bauer korrelationen med en tillagd Damköhler strålningsterm förutsade en effektiv värmeledningsförmåga på 0,218 W/(m·K) vid 25°C och 0,451 W/(m·K) vid 500°C, med en något exponentiell tillväxt på grund av påverkan från värmestrålning. När dessa värden för konduktivitet tillämpas på COMSOL-modellen finns det en stark överensstämmelse (genomsnittligt procentuellt fel &lt; 5%) med de experimentella temperaturfördelningarna. En parametrisk studie har utförts som visar att ökad kornstorlek ock emissivitet kan öka värmeledningsförmågan genom att utnyttja den exponentiella tillväxten av värmestrålning. Modellen fungerar som ett design- och inlärningsverktyg och som en utgångspunkt för att förbättra prestandan hos det termiska energilagringssystemet.

Le contexte de cette thèse couvre les dispositifs photoniques hybrides III-V sur silicium. L’étude porte sur l’intégration par collage de matériau à base d'InP sur le silicium, puis la conception d’un guide optique comportant une nanostructuration qui permettra la sélection en longueur d’onde dans un laser DFB hybride. Enfin, on étudie les étapes technologiques de fabrication d’un laser hybride injecté électriquement fonctionnant dans le domaine spectral 1.55µm, et on caractérise les dispositifs. Pour associer les matériaux III-V sur Si, nous avons développé le collage sans couche intermédiaire que l’on nomme collage hétéroépitaxial ou oxide-free. Ce collage est reporté dans la littérature comme présentant une meilleure qualité électrique. Nous avons établi les conditions de préparation permettant d’obtenir des surfaces parfaitement désoxydées, et les conditions de recuit conduisant à une interface hybride sans oxyde et sans dislocation. Mais ce recuit est réalisé à température assez élevée (~450-500°C). Nous avons alors développé le collage avec une fine couche intermédiaire d’oxyde réalisé à plus faible température -300°C- qui présente l'avantage d'être compatible avec la technologie CMOS. Nous avons étudié différentes approches pour élaborer et activer une couche d’oxyde très fine (~3nm), de façon à obtenir une surface collée sans zones localement non collées. Le collage est dans les deux cas réalisé sous vide dans un équipement de type Bonder Suss SB6e. La qualité structurale de l’interface a été observée par STEM et la qualité mécanique du joint de collage a été caractérisée par indentation. Une méthode originale de mesure quantitative et locale de l’énergie du joint de collage a été développée. La qualité optique des couches collées a été étudiée par la mesure de la photoluminescence de puits quantiques placés proches du joint d’interface. En conséquence du collage sans couche intermédiaire ou avec une couche très fine, le design du mode optique est de type double-cœur, qui ne nécessite pas de taper. Le guide optique Si est de type shallow ridge, le confinement latéral étant assuré par un matériau nanostructuré à une période sub-longueur d’onde. Ce matériau fonctionne comme un matériau effectif uniaxe pour lequel on a calculé les indices optiques ordinaire et extraordinaire selon la géométrie de la nanostructuration. On peut rajouter sur cette nanostructuration une super-périodicité qui conduit à un fonctionnement sélectif en longueur d’onde. Le comportement modal du guide est simulé à l'aide du logiciel COMSOL Multiphysics, le comportement spectral est simulé par FTDT 3D. Nous avons validé la pertinence de ce design en mesurant la transmission de guides hybrides. Ce design sera inclus dans un laser et permettra d’obtenir une émission monofréquence de type DFB. Nous avons développé les étapes technologiques nécessaires à la fabrication d’un laser hybride à base d'InP sur Silicium fonctionnant en injection électrique. Nous avons mis en oeuvre de nombreuses techniques, et développé plusieurs procédés spécifiques, en particulier, des procédés de gravure sèche de type Inductive Coupled Plasma Reactive Ion Etching ICP-RIE pour la gravure de la nanostructuration dans le silicium, et pour la gravure du mésa du laser. La présence des 2 matériaux III-V et Si dans le dispositif hybride rend ces étapes complexes. Les premiers résultats peuvent être améliorés en optimisant la technologie des contacts. Un design permettant de s’affranchir de la pénalité thermique présenté par tous les dispositifs ayant les 2 contacts électriques du coté du matériau III-V a été proposé, exploitant le passage du courant à l’interface hybride III-V / Si, ce qui est possible dans le cas du collage oxide-free. Cette approche ouvre des perspectives d’intégration au-delà de la photonique. / This work contributes to the general context of III-V materials on Silicon hybrid devices for optical integrated functions, mainly emission/amplification at 1.55µm. Devices are considered for operation under electrical injection, reaching performances relevant for data transfer application. The main three contributions of this work concern: (i) bonding InP-based materials on Si, (ii) nanostructuration of the Si guiding layer for spatial and spectral control of the guided mode and (iii) technology of an hybrid electrically injected laser, with a special attention to the thermal budget. Bonding has been investigated following two approaches. The first one we call heterohepitaxial or oxide-free bonding, is performed without any intermediate layer at a temperature ~450°C. This approach has the great advantage allowing electrical transport across the interface, as reported in the literature. We have developed oxide-free surface preparation for both materials, mainly InP-based layers, and established bonding parameter processing. An in-depth STEM and RX structural characterization has demonstrated an oxide-free reconstructed interface without any dislocation except on one or two atomic layers which accommodate the large lattice mismatch (8.1%) between InP and Si. Photoluminescence of quantum wells intentionally grown close to the interface has shown no degradation. We have also developed an oxide-based bonding process operated at 300°C in order to be compatible with CMOS processing. The original ozone activation of the very thin (~5nm) oxide layer we have proposed demonstrates a bonding surface without any unbonded area due to degassing under annealing. We have developed an original method based on nanoindentation characterization in order to obtain a quantitative and local value of the surface bonding energy. Related to the absence or to the very thin intermediate layer between the two materials, our modal design is based on a double core structure, where most of the optical mode is confined in the Si guiding layer, and no taper is required. The Si waveguide on top of the SOI stack is a shallow ridge. A nanostructured material on both sides of the waveguide core ensures the lateral confinement, the nanostructuration geometry being at a sub-wavelength period in order to operate this material well below its photonic gap. It behaves as an uniaxial material with ordinary and extraordinary indices calculated according to the structuration geometry. Such a structuration allows modal and spectral control of the guided mode. 3D modal and spectral simulation have been performed. We have demonstrated, on a double-period structuration, a wavelength selective operation of hybrid optical waveguides. Such a double-period geometry could be included in a laser design for DFB operation. This nanostructuration has larger potential application such as coupled waveguides arrays or selective resonators. We have developed all the technological processing steps for an electrically injected hybrid laser fabrication. Main developments concern dry etching, performed with the Inductive Coupled Plasma Reactive Ion Etching ICP-RIE technique of both the nanostructuration of the Silicon material, and the mesa of the hybrid laser. Efficient electrical contacts fabrication is also a complex step. First lasers operating performances could be improved. We have investigated a specific design in order to overcome the thermal penalty encountered by all the hybrid devices. This penalty is due to the thick buried oxide layer of the SOI stack that prevents heating related to the current flow to be dissipated. Taking advantage of the electrical transport we have shown at the oxide-free interface, we propose a design where the n-contact is defined on the guiding Si layer, suppressing thermal heating under electrical operation. Such an approach is very promising for densely packed hybrid devices integrated with associated electronic driving elements on Si.