<p>Due to climatic change, increasing thermal loads inbuildings and rising living standards, comfort cooling inbuildings is becoming increasingly important and the demand forcomfort cooling is expanding very quickly around the world. Theincreased cooling demand results in a peak in electrical powerdemand during the hottest summer hours. This peak presents newchallenges and uncertainties to electricity utilities and theircustomers.</p><p>Cool thermal storage systems have not only the potential tobecome one of the primary solutions to the electrical powerimbalance between production and demand, but also shift coolingenergy use to off-peak periods and avoid peak demand charges.It increases the possibilities of utilizing renewable energysources and waste heat for cooling generation. In addition, acool storage can actually increase the efficiency of combinedheat and power (CHP) generation provided that heat drivencooling is coupled to CHP. Then, the cool storage may avoidpeaks in the heat demand for cooling generation, and this meansthat the CHP can operate at design conditions in most oftime.</p><p>Phase Change Materials (PCMs) used for cool storage hasobtained considerable attention, since they can be designed tomelt and freeze at a selected temperature and have shown apromising ability to reduce the size of storage systemscompared with a sensible heat storage system because they usethe latent heat of the storage medium for thermal energystorage.</p><p>The goal of this thesis is to define suitable PCM candidatesfor comfort cooling storage. The thesis work combines differentmethods to determine the thermophysical properties oftetradecane, hexadecane and their binary mixtures, anddemonstrates the potential of using these materials as PCM forcomfort cooling storage. The phase equilibrium of the binarysystem has been studied theoretically as well asexperimentally, resulting in the derivation of the phasediagram. With knowledge of the liquid-solid phase equilibriumcharacteristics and the phase diagram, an improvedunderstanding is provided for the interrelationships involvedin the phase change of the studied materials. It has beenindicated that except for the minimum-melting point mixture,all mixtures melt and freeze within a temperature range and notat a constant temperature, which is so far often assumed in PCMstorage design. In addition, the enthalpy change during thephase transition (heat of fusion) corresponds to the phasechange temperature range; thus, the storage density obtaineddepends on how large a part of the phase change temperaturerange is valid for a given application.</p><p>Differential Scanning Calorimetery (DSC) is one frequentlyused method in the development of PCMs. In this thesis, it hasbeen found that varying results are obtained depending on theDSC settings throughout the measurements. When the DSC runs ata high heating/cooling rate it will lead to erroneousinformation. Also, the correct phase transition temperaturerange cannot be obtained simply from DSC measurement. Combiningphase equilibrium considerations with DSC measurements gives areliable design method that incorporates both the heat offusion and the phase change temperature range.</p><p>The potential of PCM storage for peak shaving in differentcooling systems has been demonstrated. A Computer model hasbeen developed for rapid phase equilibrium calculation. The useof phase equilibrium data in the design of a cool storagesystem is presented as a general methodology.</p><p><b>Keywords:</b>Comfort cooling, peak shaving, PCM, coolthermal storage system, DSC, phase change temperature range,the heat of fusion, phase equilibrium, phase diagram. Language:English</p>

Spherical agglomerates of benzoic acid crystals have been successfully prepared by drowning-out crystallization in three solvent partial miscible mixtures. Benzoic acid is dissolved in ethanol, bridging liquid is added and this mixture is fed to the agitated crystallizer containing water as the anti-solvent. Small crystals are produced by crystallization of the substance, and the crystals are agglomerated through the action of the bridging liquid. Different solvents: chloroform, toluene, heptane, pentane, cyclohexane, ethyl acetate and diethyl ether are chosen as bridging liquids, all being low soluble in water and showing good wettability for benzoic acid crystals. The influence of process conditions such as concentration of solute, agitation rate, feeding rate, amount of bridging liquid and temperature on the properties of benzoic acid spherical agglomerates, are investigated. Different sets of experiments were accomplished to track how the properties of the particles gradually change during the normal spherical crystallization experiment. Other sets of experiments were performed to examine the influence of agitation and process time for agglomeration. The product properties such as particle size distribution, morphology and mechanical strength have been evaluated. The mechanical strength of single agglomerates has been determined by compression in a materials testing machine, using a 10 N load cell. Compression characteristics for single agglomerates are compared with the data on bed compression. The present study shows that the bridging liquid has significant influence on the product properties, using diethyl ether and ethyl acetate no agglomerates are formed. Using any of the other five solvents (chloroform, toluene, heptane, pentane, and cyclohexane) spherical agglomerates are formed, as long as a sufficient amount of the bridging liquid is used. Using cyclohexane as bridging liquid at 5°C and toluene at 20°C the particles are larger compared to particles formed at other conditions. The highest particle fracture stress is obtained by using toluene as the bridging liquid at 5 and 20°C. Particle morphology depends on the bridging liquid used and the particles are completely spherical when toluene and pentane are used as bridging liquids. Different process parameters are found to have a significant influence on the physico-mechanical properties of the product. The range of operation for spherical agglomeration is relatively narrow and only at certain conditions spherical agglomerates are produced. With increasing amount of bridging liquid the particle size and strength increase and the morphology improves. Particle size decreases and the fracture force increases with increasing feeding rate, but the morphology remains unchanged. For all the solvents, the particle size and the fracture stress increase with decreasing temperature. For four of the solvents the morphology improves with decreasing temperature. For cyclohexane the result is the opposite, in that the particles are spherical at 20°C and irregular at 5°C. Spherical agglomerates of benzoic acid, both as single particles as well as in the form of a bed, have a high compressibility and low elastic recovery, properties that are favorable for direct tabletting. As the feed solution is supplied to the crystallizer the amount of benzoic acid that can crystallize actually does crystallize fairly rapidly. Hydrodynamics are responsible for bringing particles together for the agglomeration. Experiments reveal that during the gradual addition of the feed to the agitated aqueous solution, both particle size and particle number increases. It is clear from the experiments that not only further addition of feed solution leads to larger product particles but also continued agitation. Along the course of the process the properties of the particles change gradually but substantially. By continued agitation, the particle porosity decreases, density, strength gradually increases and also the spherical shape develops gradually. / QC 20110419

Uranium-zirconium (U-Zr) alloys comprise a class of metallic nuclear fuel that is regularly considered for application in fast nuclear energy systems. The U-10wt%Zr alloy has been demonstrated to very high burnup without cladding breach in the Experimental Breeder Reactor-II (EBR-II). This was accomplished by successfully accommodating gaseous fission products with low smear density fuel and an enlarged cladding plenum. Fission gas swelling behavior of the fuel has been experimentally revealed to be significantly affected by the temperature gradient within a fuel pin and the multiple phase morphologies that exist across the fuel pin. However, the phase effects on swelling behavior have not been yet fully accounted for in existing fuel performance models which tend to assume the fuel exists as a homogeneous single phase medium across the entire fuel pin. Phase effects on gas bubble nucleation and growth in the alloy were investigated using transmission electron microscopy (TEM). To achieve this end, a comprehensive examination of the alloy system was carried out. This included the fabrication of uranium alloys containing 0.1, 2, 5, 10, 20, 30, 40, and 50 wt% zirconium by melt-casting. These alloys were characterized using electron probe micro-analysis (EPMA), differential scanning calorimetry (DSC), and thermogravimetric analysis (TGA). Once the alloys were satisfactorily characterized, selected U-Zr alloys were irradiated with 140 keV He^(+) ions at fluences ranging from 1 × 10^(14) to 5 × 10^(16) ions/cm^(2). Metallographic and micro-chemical analysis of the alloys indicated that annealing at 600 °C equilibrates the alloys within 168 h to have stable α-U and δ-UZr_(2) phase morphologies. This was in contrast to some reported data that showed kinetically sluggish δ-UZr_(2) phase formation. Phase transformation temperatures and enthalpies were measured using DSC-TGA for each of the alloys. Measured temperatures from different time annealed alloys have shown consistent matches with most of the features in the current U-Zr phase diagram which further augmented the EPMA observed microstructural equilibrium. Nevertheless, quantitative transformation enthalpy analysis also suggests potential errors in the existing U-Zr binary phase diagram. More specifically, the (β-U, γ2) phase region does not appear to be present in Zr-rich (> 15 wt%) U-Zr alloys and so further investigation may be required. To prepare TEM specimens, characterized U-Zr alloys were mechanically thinned to a thickness of ~150 μm, and then electropolished using a 5% perchloric acid/95% methanol electrolyte. Uranium-rich phase was preferentially thinned in two phase alloys, giving saw-tooth shaped perforated boundaries; the alloy images were very clear and alloy characterization was accomplished. During in-situ heating U-10Zr and U-20Zr alloys up to 810 °C, selected area diffraction (SAD) patterns were observed as the structure evolved up to ~690 °C and the expected α-U → β-U phase transformation at 662 °C was never observed. For the temperature range of the (α-U, γ2) phase region, phase transformation driven diffusion was observed as uranium moved into Zr-rich phase matrix in U-20Zr alloy; this was noted as nonuniform bridging of adjacent phase lamellae in the alloy. From the irradiation tests, nano-scale voids were discovered to be evenly distributed over several micrometers in U-40Zr alloys. For the alloys irradiated at the fluences of 1 × 10^(16) and 5 × 10^(16) ions/cm^(2), estimated void densities were proportional to the irradiation doses, (250 ± 40) and (1460 ± 30) /μm^(2), while void sizes were fairly constant, (6.0 ± 1.5) and (5.2 ± 1.2) nm, respectively. Measured data could be foundational inputs to the further development of a semi-empirical metal fuel performance model.

No description available.

Demands for new, energy-efficient appliances have greatly increased in response to our growing need for a more environmentally friendly society. Magnetic refrigeration is a technique that utilizes the magnetocaloric effect, with possible energy savings of up to 30% compared to commercial gas compression refrigerators. A material appropriate for commercial magnetocaloric devices should be both cheap and non-toxic; it should also exhibit a first-order magnetic transitions close to room temperature. The magnetic properties of Fe2P-related materials can be relevant in this context, since their magnetic properties can be finely tuned through the substitution of Fe by Mn and P by Si, As, Ge or B to meet the general requirements for a magnetocaloric device. An in-depth study has therefore here been made of the structural and magnetic properties of the (Fe,Mn)2(P,Si)-system. The phase diagram of the FeMnP1-xSix-system has been carefully re-examined. It is found to contain two single-phase regions: an orthorhombic Co2P-type structure (x &lt; 0.15) and a hexagonal Fe2P-type structure (0.24 ≤ x &lt; 0.50). Selected compounds within the Fe2P-type region of the phase diagram have been shown to exhibit potential for use in magnetic refrigeration applications. Neutron powder diffraction has here been used to determine the magnetic structures of selected crystalline compositions within the FeMnP1-xSix-system to gain a better understanding of its magnetic properties. The Fe2P-type region is mainly ferromagnetic, but an incommensurate antiferromagnetic structure has also been identified close to the Co2P/Fe2P-type phase border for x ≈ 0.25. The so-called ''virgin effect'' in the Fe2P-type region of the FeMn(P,Si) phase diagram is found to be accompanied by an irreversible structural phase transition induced by magnetostriction. This new phase is found to be preserved during successive cooling-heating cycles. Furthermore, the magnetic properties of the substituted Fe2P-type structure changes significantly for metal:non-metal ratios away from 2:1. Such deviations could well explain the apparently conflicting structure-property relationships described in earlier literature for the FeMnP1-xSix-system.

Results from petrographic analyses, chemical analyses and mineral phase diagram calculations show that staurolite minerals grew in selvages adjacent to quartz veins. Previous studies show the same relationships between quartz veins and garnet, as well as kyanite growth. The selvages are formed as metamorphic fluids flow through cracks, altering the bulk composition by mass transfer and triggers the nucleation and growth of new minerals. A pseudosection for a staurolite absent sample has been calculated using THERMOCALC. No stability field correlates to visually observed mineralogy. This indicates that a reaction forming staurolite never was triggered since no fluids was present during metamorphism.

Proteins are important biological products with unique functions, annually produced at the hundreds of millions of dollars value on a worldwide basis. The application of crystallization for these materials primarily was led by structural biologists and crystallographers who are keen on obtaining large and well-ordered crystals for protein structure determination via X-ray diffraction. Usually for this, crystallization is done on a small scale by vapor diffusion using a supersaturated solution of the material. In the past decades, production crystallization has slowly received increasing attention for the large-scale recovery of proteins. Among the numerous products, an industrial enzyme (alpha-amylase) that is extensively involved in food processing and laundry products was chosen for examination due to the lack of relevant data in the literature and the potential industrial interest in crystallizing this material. The chosen alpha-amylase is a product of Genencor International (the Danisco division) and is derived from a genetically modified Bacillus licheniformis. In parallel to the underlying principles that govern the bulk crystallization of small molecules, the broad topics of investigation for this macromolecular material included determination of solubility, studies of nucleation thresholds, and investigation of crystal growth kinetics and special phenomena accompanying the crystallization process. All these studies were preceded by a series of characterization tests conducted for the material. On the whole, this study aimed to extend the existing fundamental knowledge of bulk crystallization for biological macromolecules. Specifically, it intended to enrich the solubility and crystallization kinetic data for the alpha-amylase. The experimental data of this study were all obtained at conditions in line with industrial practice, which included the use of moderate temperatures, mild pH conditions and simple inorganic salts ((NH4)2SO4, Na2SO4 and NaCl) in order for the findings to be transferred to the industry directly. In a 20 mM sodium phosphate buffer (with no added salts), alpha-amylase solubility increased with solvent temperature and had a minimum at pH between 6.4 and 7.1. A generalized equation (as a function of pH and temperature) was obtained to correlate the data. The three inorganic salts examined affected the alpha-amylase solubility in a different manner, both qualitatively and quantitatively. Evidently, the interaction effect of a salt varied with solution pH. This confirms the importance of studying solubility with the two or more condition parameters at the same time. With relevance to crystal growth, the metastable region of the material was relatively wide at (NH4)2SO4 and Na2SO4 concentrations corresponding to maximum solubility. For example, σSNT was 1.2  0.2 in solutions with 5 wt% ammonium sulfate at pH 7.0 and 25oC. A wide metastability range is useful for the practical operation of batch crystallizers as nucleation can be minimized. This range, however, diminished as the salt concentration increased beyond the maximum solubility points, imposing a limit on the range of salt concentration favorable for growth processes. In systems with no added salts at pH 7.0, the solution metastability was slightly higher at 10oC than at 40oC. This would suggest a future further examination of the salt system at a lower temperature, say of 10oC. To develop a batch crystallizer, the growth kinetic data of the material have to be known. Throughout the growth studies, the alpha-amylase crystals obtained were lozenge-shaped thin plates. Apparently, habit was not influenced by the crystallization conditions chosen. Similar to other proteins crystallized in bulk, the growth rate of alpha-amylase demonstrated a second-order dependence upon supersaturation. Importantly, the alpha-amylase demonstrated crystal growth rate dispersion (GRD) under all the conditions tested. To simplify the analysis of growth kinetic results, the seed crystals used were common history (CH) seeds whose growth rates are proportional to their sizes. The spread of growth rates (CV) was 0.54 for the unsieved CH seeds used. Due to GRD, growth rate coefficient data varied with crystal size. For instance, in solutions containing 5 wt% ammonium sulfate at pH 7.0 and 25oC, the growth rate coefficient for seed crystals initially at 20 m was 2.47 m/hr. This order of magnitude was equivalent to that of many other proteins. Although being small, industrial crystallization was feasible with these kinetics, as demonstrated by the sample design calculations included. To improve the design, it is recommended to further examine the solubility, metastability and growth kinetics of the above system at other temperatures to obtain a wider growth rate range. As the important phenomenon of growth rate dispersion has seldom been examined for protein and enzyme materials in the crystallization literature, this study is a significant contribution to this area.

La spintronique propose de nouvelles solutions en microélectronique en termes d’architecture, pour résoudre les problèmes de miniaturisation et de consommation. Son produit phare, les mémoires magnétiques à accès aléatoire (MRAM), est composé de jonctions tunnel magnétiques (JTM). Une alternative intéressante d’architecture MRAM, développée par Crocus Technology propose d’assister thermiquement le retournement du moment magnétique stockant l’information. L’aimantation de la couche de stockage est couplée à une couche antiferromagnétique afin de la stabiliser (couche piégée). Un chauffage par effet Joule à l’aide d’un courant traversant la barrière tunnel permet de libérer la couche de stockage pour écrire l’information à l’aide d’un champ magnétique. Générer un champ magnétique est encore coûteux en puissance. Pour résoudre ce problème, l’idée explorée dans cette thèse est d’exploiter avantageusement le couple de transfert de spin généré par le courant de chauffage pour réduire le champ d’écriture en changeant la polarité du courant de chauffage suivant l’état que l’on cherche à écrire. Pour ce faire, des dispositifs 1 kbit ont été testés, dans lesquels on montre que l’influence du couple de transfert permet de réduire le champ d’écriture. Une nouvelle structure à couche de stockage synthétique ferrimagnétique (SyF) piégée a été développée pour tirer parti du couple de transfert de spin au mieux sans dégrader relations d’épitaxie garantes des propriétés de stabilité et de signal. Pour étudier l’influence du couple de transfert de spin en détail, des diagrammes de phases en champ et tension ont été réalisés sur divers structures, en séparant les différentes composantes de l’empilement complet. En plus du couple de transfert de spin attendu, un effet pair du courant a été observé, favorisant toujours l’état antiparallèle quel que soit la polarité du courant. Cet effet se retrouve tant sur les couches piégées que les couches libres, et peut s’expliquer par un couple de transfert de spin perpendiculaire comme suggéré par la forme des diagrammes obtenus avec des couches libres. Par ailleurs, les diagrammes d’écriture de couche de stockage SyF révèlent une forme complexe qui serait liée à l’excitation d’une seule des deux couches du SyF par le couple de transfert de spin. En variant le produit résistance-surface (RA) de la JTM, on a montré que le couple de transfert de spin semble bien conserver sa proportionnalité avec la densité de courant sur des structures à couche de stockage piégée. Un autre pan du travail concerne la phase de refroidissement à la fin de l’écriture assistée thermiquement. L’influence de la vitesse de refroidissement sur l’efficacité du couple de transfert de spin a été mise en évidence, et il est montré qu’une diminution progressive de la tension permet d’atteindre un régime de refroidissement quasi-statique dans lequel le taux d’erreur est réduit d’un ordre de grandeur sur certaines structures. Les différents résultats sont mis en lien avec la dépendance en température du couplage RKKY au sein du SyF. Celui-ci permet de d’estimer l’évolution de la température en tension et en temps réel. Enfin, l’existence d’un effet thermoélectrique dû à l’asymétrie de chauffage est étudiée. / Spintronics offers new solutions in microelectronics regarding architecture, to solve scaling and consumption issues. Its main product, magnetic random access memories (MRAM), is composed of magnetic tunnel junctions (MTJ). Switching of the magnetic moment storing the data is facilitated by a thermally assisted writing method developed by Crocus Technology. The storage layer’s magnetization is coupled to an antiferromagnetic layer to stabilize it (pinned layer). Joule heating thanks to a tunneling current allows freeing the storage layer to write information thanks to a magnetic field. Generating a magnetic field still consumes power. To solve this issue, the idea explored in the thesis is to harness advantageously the spin transfer torque arising from the heating current in order to lower the writing field by changing the heating current polarity depending on the state to write. To do this, 1 kbit test vehicles have been tested, for which it is shown that spin transfer torque influence allows reducing the writing field. A new structure has been developed, consisting of a pinned synthetic ferrimagnetic (SyF) storage layer, to get benefits from the spin transfer torque without degrading epitaxial relations necessary to have a good stability and a good signal. To study the influence of spin transfer torque in details, field-voltage phase diagrams have been measured for various structures, by separating the elementary parts of the full structure. Apart from the expected spin transfer torque, an even effect of the current has been observed, favoring the antiparallel state whatever the current polarity. This effect can be found both in pinned layers and free layers, and can be explained thanks to perpendicular spin transfer torque as suggested by the shape of the diagrams obtained on free layers. Besides, writing diagrams of SyF storage layer have a complexe shape that may be related to the excitation of one only layer of the two of the SyF by spin transfer torque. By varying the resistance-area product (RA) of the MTJ, we showed that spin transfer torque seems to keep its proportionality to current density for structures with pinned storage layer. Another side of the work is related to the cooling phase at the end of the thermally assisted writing. Influence of the cooling rate on the efficiency of spin transfer torque was evidenced, and it is showed that a gradual decrease of the voltage let reach a quasistatic cooling regime in which the writing error rate is reduced by one order of magnitude on some structures. The different results are linked to the temperature dependence of RKKY coupling inside the SyF. This allows estimating real time change of temperature. Finally, thermoelectric effect due to heating asymmetry is studied.

Cette thèse s'intéresse à deux types de systèmes de différents degrés de liberté en interaction, et soumis à des fluctuations quantiques.Dans le premier projet abordé dans le manuscrit, on établit un diagramme de phase d'électrons en interactions dans un cristal bidimensionnel à géométrie kagome. Ce diagramme de phase est dressé en fonction de deux paramètres étant les interactions coulombiennes entre électrons sur un même atome pour le premier, et sur des atomes plus proches voisins pour le second. Les énergies caractéristiques de ces deux interactions sont quantifiées par rapport à une énergie de référence étant celle des fluctuations quantiques. On met alors en évidence quatre phases dont deux sont nouvelles, alors que les deux autres font le lien avec la littérature déjà existante, et sont en accord avec cette dernière. Ces deux nouvelles phases émergent lorsque l'énergie de répulsion coulombienne entre électrons sur un même atome domine devant l’énergie caractéristique des fluctuations quantiques. En présence d’une forte répulsion coulombienne entre électrons sur des atomes plus proches voisins, les charges électroniques ne peuvent se délocaliser pour former des ondes de Bloch et sont soumis à ce que l’on appelle une contrainte locale de charge. Apparaissent alors sous la compétition de ces deux interactions coulombiennes, des modes unidimensionnels collectifs le long des chaines d’atomes antiferromagnétiquement ordonnées. Ces modes ont la particularité d’être stabilisés à la fois par les fluctuations des degrés de liberté de spin, et de charge des électrons. La seconde de ces nouvelles phases émerge lorsque la répulsion coulombienne entre électrons sur des atomes voisins devient faible devant les fluctuations quantiques. La contrainte locale est alors relâchée et les électrons forment des ondes de Bloch le long de ce qui s’apparente à des bulles quantiques unidimensionnelles et polarisées en spin. Ces bulles sont alors piégées dans un cristal d’électrons inversement polarisés, avec lesquels elles sont en interaction antiferromagnétique.Le second projet porte sur l’étude d’un aimant moléculaire de Terbium Double-Decker. Cette molécule peut être modélisée par trois degrés de liberté interagissant en cascade les uns avec les autres. Le premier d’entre eux est un degré de liberté de spin nucléaire porté par le noyau de l’ion terbium de la molécule. Ce spin nucléaire est en interaction d’échange avec un degré de liberté de spin électronique porté par les électrons de l’ion terbium. Enfin, en première approximation, ce spin électronique génère un champ dipolaire auquel sont soumis les deux ligands de l’aimant moléculaire. Ces deux ligands sont couplés à deux électrodes de source et de drain, assurant le transport d’électrons uniques à travers ces deniers. Le tout forme donc un transistor à électron unique dans lequel les ligands servent de boîte quantique. Par mesure de magnéto-conductance, il est donc possible par une lecture en cascade, de remonter à l’état du spin électronique et du spin nucléaire. La première étape du projet a donc consisté à établir un modèle décrivant l’aimant moléculaire couplé à ces deux électrodes, afin de prédire les mesures de conductance réalisées au travers du transistor lors des thèses de Stefen Thiele et Clément Godfrin. Les résultats théoriques et expérimentaux obtenus sont en accord quantitatifs.D’autres part, à l’aide de champs électriques radio-fréquences, il est possible de manipuler expérimentalement et de façon cohérente le spin nucléaire. Cette manipulation cohérente du spin nucléaire se fait par l’intermédiaire du nuage électronique de l’ion, et permet ainsi d’être en mesure de réaliser un algorithme quantique sur le spin nucléaire de l’ion terbium. La réalisation d’un programme de simulation a permis de guider la réalisation expérimentale de l’algorithme de Grover, lequel a été implémenté avec succès au cours de la thèse de Clément Godfrin. / This thesis focuses on two different spin and charge systems, interacting under the effect of quantum fluctuations.The first project highlights the phase diagram of interacting electrons on a kagome lattice. This diagram is driven by two Coulomb repulsions. The first is a on site repulsion, and the second a nearest neighbor one. These two repulsions are in competition with quantum fluctuations of electronic charges. Four phases are depicted, two are unknown and the two other are in agreement with the literature. The two new phases are stabilized in the strong on site repulsion regime. When nearest neighbor repulsions are strong enough to induce a charge local constraint, the system enters in a so called Heisenberg-Loop Phase. These loops are antiferromagnetically arranged and can be described by a Heisenberg-like model in which both charge and spin play surprisingly a role in the exchange interaction. The second new phase is stabilized in the regime where nearest neighbor interactions are too weak to maintain the local constraint. Then, half of the electrons are delocalized in unidimensional Bloch states similar to quantum polarized electronic bubbles. These bubbles are trapped in an inversely polarized electronic cristal formed by the other electrons. This peculiar phase is favored by both quantum charge fluctuations in the bubbles, and antiferromagnetic exchanges between their electrons and the cristal ones.The second project deals with a Terbium Double-Decker molecular magnet. This molecule is modeled by three interacting degrees of freedom. The first is a nuclear spin of the Terbium ion, and the second is the electronic spin of this same ion. The two spins interact via a magnetic exchange.In a first approximation, the effect of the electronic spin is to induce a dipolar field. Finally, the last degree of freedom is carried by two ligands under the influence of the dipolar field. The ligands play the role of a read-out quantum dot, and by conductance measurements through this last one, we can probe the electronic spin and then, the nuclear spin. The first step of this project highlights the modeling of the global system. Then numerical computations are depicted and are in a quantitative agreement with the experimental measurements realized during the thesis of Stefan Thiele and Clément Godfrin.On the other hand, by applying electrical Radio Frequency Fields, we can drive quantum fluctuations on the nuclear spin. This quantum manipulation of the spin is realized by the dynamic deformation of the electron cloud under the effect of the Radio Frequency Field. As a result, we are able to implement a Grover Quantum Algorithm on the nuclear field. This thesis focuses on the realization of a simulation program that was a tool used by Clément Godfrin to successfully implement the Grover Algorithm.

No description available.