Les problèmes liés au réchauffement climatique, conséquences de la production d'énergie et de la pollution, rendent ce thème de recherche un des plus importants du moment. La course pour trouver de nouveaux matériaux pour mettre au point des applications innovantes est à son apogée, et de grands progrès voient le jour dans chaque domaine de recherche. Par exemple, les chercheurs en physique se concentrent sur la fabrication de matériaux ou de couples de matériaux avec des propriétés électriques/thermiques supérieures pour améliorer les systèmes électroniques aux échelles nano- et micro- métriques. Certains de ces éléments sont formés de couches simples, de multicouches ou de membranes. Ainsi, des techniques expérimentales appropriées sont essentielles pour mesurer les propriétés thermophysiques de ces nouveaux composants. Dans cette thèse, la caractérisation thermique de diverses sortes de matériaux est réalisée en utilisant une technique de radiométrie photothermique (PTR). PTR est une méthode sans contact dans laquelle la réponse thermique de matériaux induite par rayonnement est mesurée. Deux types de configurations ont été utilisées, la première avec une modulation dans le domaine fréquentiel jusqu'à 10 MHz et l’autre avec une modulation hybride fréquence/spatial jusqu'à 2 MHz avec ~ 30 µm de résolution. Avec ces méthodes, il est possible d'extraire indépendamment des paramètres thermophysiques comme la diffusivité thermique, l’effusivité thermique ou la résistance de Kapitza. Ces deux configurations sont utilisées pour caractériser thermiquement des combinaisons particulières de matériaux comme des nanocomposites, des couches minces organiques, des matériaux irradiés, des matériaux à changement de phase ou les résistances thermiques à l’interfaces métal/semiconducteur. Les résultats obtenus donnent de nouvelles pistes de recherche sur le transport thermique et la gestion de la chaleur à l’échelle nanométrique. / The recognition of problems connected to the global warming linked to energy production and pollution, makes it the most important research topic of the moment. The race of finding new materials for improved applications is at its peak, while big advancements in technologies within each field of research have seen the light. For example, researchers in physics are focusing on making superior materials or couple of materials with enhanced thermo-/electric- physical properties for nano- and micro- electronic devices. The constituents in question, embody simple or complicated multiscale layers or membranes. Thus, proper experimental techniques are essential to measure the thermophysical properties of these new components. In this thesis, thermal characterization of diverse kinds of materials is made using a photothermal radiometry (PTR) technique. PTR is a contactless method which measures the thermal response of materials induced by optical heating. Two types of PTR setups were utilized, one using frequency domain modulation up to 10 MHz and one based upon hybrid frequency/spatial domain modulation up to 2 MHz with ~30 µm resolution. With these methods, it is possible to extract independent thermophysical parameters like the thermal diffusivity, thermal effusivity or Kapitza resistance. These two setups are used jointly to thermally characterize peculiar combinations of materials like: nanocomposite, organic, irradiated, phase changing and silicide materials. The results grasp new insights on the thermal transport and heat management across these set of materials and encourages novel ways to apply them in diverse applications throughout many research fields.

Putting on or taking off clothes helps the body to stay within the comfortable temperature range (toavoid shivering or sweating) at different activity levels and ambient conditions. Clothes with built-inthermo-regulating properties would mean maintained comfort without putting on or taking off clothesthat frequently. Integration of phase change materials (PCMs) in clothes is one way of achievingthermo-regulating properties. When the body temperature goes up, the PCM melts and absorbs theheat from the body in the form of latent heat (cooling effect). When the temperature drops, the PCMcrystallizes and the stored heat is released again (warming effect).Research on thermo regulating fibres of the bi-component type containing PCM in the core has beenconducted at Swerea IVF in Mölndal, Sweden, for some time. It has been found that high molecularweight HDPE is a suitable viscosity modifier for hydrocarbon waxes used as PCM. The preparation ofcore materials has so far been done in a batch wise fashion in the way that molten wax has beensoaked into pelletized HDPE at around 180°C during prolonged times followed by melt compoundingin a Brabender batch kneader (0.3 kg per batch). Besides being very impractical for larger productionvolumes the method involves long residence times at high temperatures which may induce thermaldegradation reactions. The objective of the present diploma (master’s thesis) work was to develop acontinuous mixing method to produce PCM/HDPE blends and to test the resulting material in bicomponentfibers with a Nylon (PA6) sheath and to characterize the resulting fiber properties in termsof strength and latent heat.It was proven possible to compound HDPE with large amounts (70%) of octadecane (PCM) on aBrabender twin screw extruder. HDPE was metered to the extruder hoper by means of a screw feederand wax was continuously fed to the hoper in the liquid state by means of a heated membrane pump.To facilitate mixing HDPE in form of powder instead of pellets was used. The extruded threads weresolidified in a water bath followed by granulation. Bi-component fibers were successfully producedfrom such materials. Fibers containing 15 to 42% Octadecane were produced showing heat of fusionsin the range 26 to 86 J/g and tenacities in the range 33 to 16 cN/tex. The heat of fusion of the fiberscompares favorable with existing commercial products showing values in the range 5-15 J/g (acrylicand cellulosic fibres containing microencapsulated hydrocarbon waxes). The peak melting point ofoctadecane measured by DSC was found to be depressed some 4-5°C in the fibers compared to pureoctadecane (28°C). Such a melting point depression is important to consider when choosing type ofhydrocarbon wax. / Program: Magisterutbildning i textilteknologi

The heat transfer behavior of phase change material fluid under laminar flow conditions in circular tubes and internally longitudinal finned tubes are presented in this study. Two types of boundary conditions, including uniform axial heat flux with constant peripheral temperature and uniform axial and peripheral temperature, were considered in the case of circular tubes. An effective specific heat technique was used to model the phase change process assuming a hydrodynamically fully-developed flow at the entrance of the tube. Results were also obtained for the phase change process under hydro dynamically and thermally fully developed conditions. In case of a smooth circular tube with phase change material (PCM) fluid, results of Nusselt number were obtained by varying the bulk Stefan number. The Nusselt number results were found to be strongly dependent on the Stefan number. In the case of a finned tube two types of boundary conditions were studied. The first boundary condition had a uniform axial heat flux along the axis of the tube with a variable temperature on the peripheral surface of the tube. The second boundary condition had a constant temperature on the outer surface of the tube. The effective specific heat technique was again implemented to analyze the phase change process under both the boundary conditions. The Nusselt number was determined for a tube with two fins with different fin height ratios and fin thermal conductivity values. It was determined that the Nusselt number was strongly dependent on the Stefan number, fin thermal conductivity value, and height of the fins. It was also observed that for a constant heat axial flux boundary condition with peripherally varying temperature, the phase change slurry with the internally finned tube performed better than the one without fins. A similar trend was observed during the phase change process with internal fins under the constant wall temperature boundary condition.

While 3D stacked multi-processor technology offers the potential for significant computing advantages, these architectures also face the significant challenge of small, localized hotspots with very large heat fluxes due to the placement of asymmetric cores, heterogeneous devices and performance driven layouts. In this thesis, a new thermal management solution is introduced that seeks to maximize the performance of microprocessors with dynamically managed power profiles. To mitigate the non-uniformities in chip temperature profiles resulting from the dynamic power maps, solid-liquid phase change materials (PCMs) with an embedded heat spreader network are strategically positioned near localized hotspots, resulting in a large increase in the local thermal capacitance in these problematic areas. Theoretical analysis shows that the increase in local thermal capacitance results in an almost twenty-fold increase in the time that a thermally constrained core can operate before a power gating or core migration event is required. Coupled to the PCMs are solid state coolers (SSCs) that serve as a means for fast regeneration of the PCMs during the cool down periods associated with throttling events. Using this combined PCM/SSC approach allows for devices that operate with the desirable combination of low throttling frequency and large overall core duty cycles, thus maximizing computational throughput. The impact of the thermophysical properties of the PCM on the device operating characteristics has been investigated from first principles in order to better inform the PCM selection or design process. Complementary to the theoretical characterization of the proposed thermal solution, a prototype device called a "Composite Thermal Capacitor (CTC)" that monolithically integrates micro heaters, PCMs and a spreader matrix into a Si test chip was fabricated and tested to validate the efficacy of the concept. A prototype CTC was shown to increase allowable device operating times by over 7X and address heat fluxes of up to ~395 W/cm2. Various methods for regenerating the CTC have been investigated, including air, liquid, and solid state cooling, and operational duty cycles of over 60% have been demonstrated.

The heat transfer behavior of phase change material fluid under laminar flow conditions in circular tubes and internally longitudinal finned tubes are presented in this study. Two types of boundary conditions, including uniform axial heat flux with constant peripheral temperature and uniform axial and peripheral temperature, were considered in the case of circular tubes. An effective specific heat technique was used to model the phase change process assuming a hydrodynamically fully-developed flow at the entrance of the tube. Results were also obtained for the phase change process under hydro dynamically and thermally fully developed conditions. In case of a smooth circular tube with phase change material (PCM) fluid, results of Nusselt number were obtained by varying the bulk Stefan number. The Nusselt number results were found to be strongly dependent on the Stefan number. In the case of a finned tube two types of boundary conditions were studied. The first boundary condition had a uniform axial heat flux along the axis of the tube with a variable temperature on the peripheral surface of the tube. The second boundary condition had a constant temperature on the outer surface of the tube. The effective specific heat technique was again implemented to analyze the phase change process under both the boundary conditions. The Nusselt number was determined for a tube with two fins with different fin height ratios and fin thermal conductivity values. It was determined that the Nusselt number was strongly dependent on the Stefan number, fin thermal conductivity value, and height of the fins. It was also observed that for a constant heat axial flux boundary condition with peripherally varying temperature, the phase change slurry with the internally finned tube performed better than the one without fins. A similar trend was observed during the phase change process with internal fins under the constant wall temperature boundary condition.

The principal goal of this thesis is to develop a systematic method for the design of composite heat sinks (CHSs) that serve as passive and transient cooling devices for microelectronics. This is accomplished by posing the CHS design problem as a topology optimization problem wherein a phase-change material and a high-conductivity material are to be optimally distributed. Two different types of formulations are proposed. The first one aims to maximize the time of operation before a tolerable temperature is reached at the interface between a heat source and the CHS. The second one aims to minimize the maximum temperature across the heating interface for a given time of operation. The two materials are interpolated in topology optimization using the usual mixture law with penalty. The phase-change is modeled using the apparent heat capacity method in which the specific heat is taken as a nonlinear function of the temperature so that the latent heat absorption is accounted for at the melting point. The ensuing new transient topology optimization problem involving an interpolated material property that depends on the state variable is solved using continuous optimization algorithm. The validity of the phase-change modeling is verified with a one dimensional model as well as experimentation. Analytical sensitivity analysis is derived and verified with the finite difference derivatives. Several examples are solved to illustrate the intricacies of the problem and the effectiveness and the limitations of the proposed design method. Prototypes of an intuitively conceived CHS and optimized one are made. An experimental setup is devised to test the two prototypes. Based on the insight gained from the experiments, an improved conduction model is studied to also incorporate convective heat transfer also into the model.

The demand for clean and environmentally benign energy resources has been a great concern in the last two decades. To alleviate the associated environmental problems, reduction of the use of fossil fuels by developing more cost-effective renewable energy technologies becomes more and more significant. Among various types of renewable energy sources, solar energy and bioenergy take a great proportion. This dissertation focuses on the heat transfer and flow in solar energy and bioenergy systems, specifically for Thermal Energy Storage (TES) systems in Concentrated Solar Power (CSP) plants and open-channel algal culture raceways for biofuel production. The first part of this dissertation is the discussion about mathematical modeling, numerical simulation and experimental investigation of solar TES system. First of all, in order to accurately and efficiently simulate the conjugate heat transfer between Heat Transfer Fluid (HTF) and filler material in four different solid-fluid TES configurations, formulas of an effective heat transfer coefficient were theoretically developed and presented by extending the validity of Lumped Capacitance Method (LCM) to large Biot number, as well as verifications/validations to this simplified model. Secondly, to provide design guidelines for TES system in CSP plant using Phase Change Materials (PCM), a general storage tank volume sizing strategy and an energy storage startup strategy were proposed using the enthalpy-based 1D transient model. Then experimental investigations were conducted to explore a novel thermal storage material. The thermal storage performances were also compared between this novel storage material and concrete at a temperature range from 400 °C to 500 °C. It is recommended to apply this novel thermal storage material to replace concrete at high operating temperatures in sensible heat TES systems. The second part of this dissertation mainly focuses on the numerical and experimental study of an open-channel algae culture raceway for biofuel production. According to the proposed flow field design of ARID-HV algal raceway, experiments and numerical simulation have been conducted to understand the enhancement of flow mixing in the flow field of ARID-HV raceway by cutting slots on top of the dam near the dead zones. A new method was proposed to quantitatively evaluate the flow mixing by using the statistics of temporal and spatial distribution of the massless fluid particles (centered in each cell at the inlet surface) in the raceway collecting the data of path-lines of fluid particles from CFD results. It is hoped that this method can be applied to assist the algal raceway flow field design as well as other engineering applications. The third part introduces the details about the construction work of a high temperature molten salt test loop. Because of the limited operating temperature of conventional synthetic oils, in order to obtain higher energy conversion efficiency, higher operating temperature is always desirable in a CSP plant which leads to the requirement of new generation of HTF. Currently, a halide salt eutectic mixture (NaCl-KCl-ZnCl₂) as a potential HTF for future CSP applications has been proposed by a multi-institute research team, led by University of Arizona. The thermophysical properties of the halide eutectic salt have been measured. However, this new developed halide eutectic salt has not been tested in a circulating loop at a high operating temperature for the measurement of heat transfer coefficient. It is a significant effort to build such a test system due to extremely high operating temperature. As a consequence, in the third part of this dissertation, details about the design of the lab-scale test system and all the equipment items will be introduced. The investigations included in this dissertation for the heat transfer and flow in solar energy and bioenergy systems are of particular interest to the renewable energy engineering community. It is expected that the proposed methods can provide useful information for engineers and researchers.

This thesis presents the first-principles studies of materials properties within the framework of the density functional theory (DFT). The thesis constitutes three main parts, i. e., pressure-induced phase transitions in solids, data-storage and clean-energy materials. The first part focuses on the predictions of crystal structures and the determinations of electronic properties of Xe-H2, FeB4 and Co3O4. Pressurizing Xe-H2 compound yields the formation of H-rich Xe(H2)8, which can exhibit a metallic feature at comparatively lower pressure than pure hydrogen. Hard superconducting FeB4 gets transformed into a novel transparent phase under pressure owing to the enhanced overlap of atomic cores. Spinel Co3O4 undergoes the phase transition from a cubic to a monoclinic because of the charge transfer between cations via the increased 3d-3d interactions. The second part involves the study of structural and electronic properties of phase-change memory materials (PCMs), i. e., Ge2Sb2Te5 (GST) and Ga-doped In2O3. Van der Waals (vdW) interaction must be considered to obtain accurate crystal structure of layered GST. For Ga-doped In2O3 (GIO), the local structure of amorphous GIO is found to resemble that of amorphous In2O3, except the vicinity of doping atoms. The electronic property of a-GIO is metallic, which considerably differs from the semiconducting feature of the crystalline GIO. This emphasizes the contrast in the conductivity of the crystalline and amorphous upon phase switching of GIO. The third part associates with the search for clean-energy materials, viz., hydrogen production, hydrogen storage and green Mg-ion batteries. For hydrogen production, the role of intrinsic point defects to water adsorption on ZnO(10-10) surface is investigated. The findings show that the Zn and O defect-sites are energetically not favorable for the water adsorption and dissociation. For the purpose of storing hydrogen in a solid phase, silicene, doped by alkaline and alkaline earth metals, is investigated. We find that Li-doped and Na-doped silicene can attain the superior storage capacity. For cathode material of Mg-ion batteries, Mg2Mo6S8, the diffusivity of Mg ions occurs through an available channel in the bulk with the onset temperature of 200 K.

Ge₂Sb₂Te₅ (GST) is an established phase-change material that undergoes fast reversible transitions between amorphous and crystalline states with a high electro-optical contrast, enabling applications in non-volatile optical and electronic memories and optically-switchable structured metamaterials. This work demonstrates that optical anisotropy can be induced and recorded in pure and doped GST thin films using circularly polarised light (CPL), opening up the possibility of controlled induction of anisotropic phase transition in these and related materials for optoelectronic and photonic applications. While the amorphous-to-crystalline phase transition in GST has generally been understood to proceed via a thermal mechanism, significant optical anisotropy (measured by circular dichroism (CD) spectroscopy in this work) strongly suggests that there is an electronic athermal component of the phase change induced by the handedness of circularly polarised nanosecond laser pulses and implies the existence of chiral structures or motifs. Optically active and inactive regions in the films have also been studied using X-ray and electron diffraction and spectroscopic techniques in order to obtain a structural picture that can be correlated to the optical changes observed and the findings offer surprising evidence of the nature of the phase transition. Regions exhibiting higher CD signal intensities were found to be mostly amorphous with elemental phase separation observed within modified surface features. Several mechanisms are proposed for the observed phenomena, including the retention of chiral crystalline fragments in laser- irradiated and melt-quenched amorphous regions, which could explain the results of CD spectroscopy. This may be extended to other material systems and harnessed in potential metamaterials, plasmonics, photonics or chiroptical applications.

Les systèmes de rafraîchissement d'air basés sur des échangeur-stockeurs composés de Matériaux à Changement de Phase (MCP) sont une alternative possible aux systèmes de climatisation pour le confort d'été dans les bâtiments. Toutefois, les performances de tels systèmes de rafraîchissement sont étroitement liées aux conditions climatiques et aux configurations des bâtiments à rafraîchir. L'objectif de ce travail de thèse est de développer un outil d'aide à la conception permettant un pré-dimensionnement optimal de systèmes de rafraîchissement d'air utilisant des MCP dès le stade de la conception préliminaire. Un modèle thermique dynamique simulant le comportement d'un échangeur-stockeur air/MCP est donc développé puis couplé à une plateforme logicielle de simulation thermique dynamique du bâtiment. Les modèles d'échangeur-stockeurs et de co-simulation sont validés à l'aide d'expériences menées sur deux prototypes d'échangeur-stockeur et la plateforme expérimentale de maison à énergie positive NAPEVOMO. Enfin un premier outil d'aide à la conception utilisant un algorithme d'optimisation est développé pour définir une configuration optimale de système maintenant le confort estival dans la maison NAPEVOMO. / Air-cooling systems using latent heat thermal energy storage (LHTES) are potential alternatives to air-conditioners for summer climate control in buildings. However, the performances of such systems are tightly linked to weather conditions and the configuration of the building to be cooled. The aim of this doctoral work is to develop a design support tool allowing optimally dimensioning an air-cooling system using phase change material at the preliminary design stage. A dynamic thermal model, simulating the behaviour an LHTES device exchanging with air, is developed and coupled with a building performance program. The LHTES and the co-simulation models are validated by comparison with experiments carried out on two prototypes of LHTES device and the experimental platform of zero energy building NAPEVOMO. Finally, a first design support tool using genetic algorithm is developed to define the optimal configuration of an air-cooling system for the summer comfort in « NAPEVOMO » house.