Neste trabalho estudamos o efeito da temperatura T e do campo magnético externo H sobre o modelo de Ising de spin 1/2 com interações competitivas J1 e J2 = -pJ1 entre primeiros e segundos vizinhos, respectivamente, numa direção axial (modelo ANNNI), e o efeito do campo de anisotropia cristalina D sobre o estado fundamental de um modelo ANNNI de spin maior que 1/2. No primeiro modelo levantamos os diagramas de fases p-T e H-T na aproximação de campo médio. Nestes diagramas encontramos diversos tipos de transições de fases tais como transições quase-contínuas e transições singular-contínuas. Encontramos também evidências da existência de pontos ípsilon () e pontos superdegenerados até então só encontrados nos diagramas de fases do estado fundamental de modelos do tipo Frenkel-Kontorova. No segundo modelo levantamos os diagramas p-D a T=0 para os dez primeiros valores de spin S. Estudamos a evolução das fronteiras de fases e de pontos de encontro de mais que duas fases sobre estas fronteiras conforme S é variado. Constatamos que as diferenças entre diagramas com S inteiro e diagramas com S semi-inteiro tendem a desaparecer com o crescimento de S. / In this work we studied the effect of the temperature T and external magnetic field H on the spin 1/2 lsing model with competing interactions J1 and J2 = -pJ1 between the first- and second-neighbors, respectively, along an axial direction (ANNNl model), and the effect of the crystal field anisotropy D on the ground state of the ANNNl model with spins greater than 1/2. In the first model we built the p-T and H-T phase diagrams in the mean-field approximation. In these phase diagrams we found various types of phase transitions such as quasi-continuous and singular-continuous phase transitions. We also found evidences for the upsilon point (1) and superdegenerate points, which have previously been found only on the groundstate phase diagrams of Frenkel-I<ontorova type models.

Orientadores: Dalton Soares Arantes, Fabbryccio Akkazzha Chaves Machado Cardoso / Tese (doutorado) - Universidade Estadual de Campinas, Faculdade de Engenharia Elétrica e de Computação / Made available in DSpace on 2018-08-24T01:49:02Z (GMT). No. of bitstreams: 1 Garcia_FabioLumertz_D.pdf: 40460342 bytes, checksum: 576d63ee41c2ab7aa3312f22902103b5 (MD5) Previous issue date: 2013 / Resumo: Esta tese apresenta um novo método para recuperação de portadora e fase, sem o emprego de Phase-Locked Loops, com aplicação em um sistema óptico coerente com modulação 16-QAM, taxa de 112Gb/s e multiplexação por polarização. A estrutura desenvolvida viabiliza uma Operação de Alinhamento dos símbolos modulados em fase e quadratura da constelação QAM, possibilitando a estimação eficiente dos desvios de freqüência e fase. Um projeto especial de preâmbulo foi concebido para o uso desta estrutura, possibilitando uma comutação suave para o segmento de dados com o auxílio de um esquema denominado Conjugado Virtual. Esses conceitos possibilitam correção de desvios de freqüência superiores a 1,5 GHz e operação com faixas de ruído de fase da ordem de 3,5 MHz (' DELTA' v × TS = 2.5 × 10?4), quando operando na taxa de 14 GBaud e em ambientes bastante degradados. Resultados de simulação apontam que nesses cenários degradados a equalização não-fracionária não é capaz de realizar a inversão do canal óptico. Essa conclusão é particularmente ilustrada por uma imagem bidimensional relacionando as taxas de erro de bit (BERs) em função de pares de amostras. Finalmente, o sistema óptico foi emulado com o software VPI Photonics. / Abstract: This thesis presents a novel method for Carrier Phase Estimation (CPE), without Phase-Locked Loops, with application to a 112 Gb/s Dual-Polarization 16-QAM Coherent Optical System. The developed structure allows for an Alignment Operation that performs the alignment of the symbols of the QAM constellation, resulting in more efficient estimation of carrier frequency and phase. An especial preamble design was conceived for this structure, enabling a soft switching from preamble to data segment using an especial Virtual Conjugation scheme. These concepts enable frequency mismatch correction over to 1.5 GHz and operation with phase noise linewidth in the order of 3.5 MHz (' DELTA' v × TS = 2.5 × 10?4), when operating at the rate of 14 GBaud and highly degraded channel conditions. Simulation results show that, in these scenarios, baudrate equalization is not able to perform channel inversion. This conclusion is especially illustrated by a bidimensional image which depicts Bit Error Rates (BERs) as a function of pairs of samples. Finally, the optical system was emulated using VPI Photonics Simulation Software. / Doutorado / Telecomunicações e Telemática / Doutor em Engenharia Elétrica

La thèse présente l’analyse d’une séance de formation de "coaching" commercial mettant en scène un formateur d’entreprise et un apprenti, vendeur dans le milieu bancaire. L’objectif était d’étudier le rôle du pronom tu associé à des indices d’adresse d’autre nature dans les modulations du consensus coénonciatif entre le formateur et l’apprenti. Les résultats auxquels notre thèse aboutit : (1) Dans un dialogue, l’énonciateur-locuteur premier peut être soit en état de consensus, soit en état de rupture de la coénonciation vis à vis de l’énonciateur-locuteur second, soit encore en phase intermédiaire (orientée tantôt vers le consensus, tantôt vers la rupture). (2) Il existe des indices d’adresse gestuels, intonatifs et morphosyntaxiques qui permettent de différencier chacun de ces états. (3) L’emploi du pronom tu associé à d’autres indices d’adresse joue un rôle important dans les modulations du consensus entre le formateur et l’apprenti. Ce rôle est particulièrement visible lorsque l’un des énonciateurs-locuteurs (ou les deux) se positionne(nt) en phase intermédiaire. (4) L’énonciateur-locuteur premier passe nécessairement par une des deux phases intermédiaires et ce sont les réactions de l’énonciateur-locuteur second qui informent sur l’état de la coénonciation (consensus ou rupture) à ce moment précis du dialogue. Les régularités dégagées par cette recherche intéressent plusieurs domaines des sciences humaines, notamment la linguistique, les sciences de l’éducation, la communication et la formation en entreprise. / The thesis presents the analysis of a training session of commercial coaching featuring a coach, corporate trainer and a learner, sales in the banking. The objective was to study the role of "you" associated with other indicators of address in the modulations of consensus between the coach and the learner. The results that our thesis leads : (1) In a dialogue, the enunciator-first speaker may be either in a state of consensus, either in a state of coenunciation breaking-off respect to the enunciator- second speaker, or in an intermediate phase (sometimes oriented towards consensus sometimes to break). (2) There are indicators of address gestural, intonation and morphosyntactic that distinguish each of the state. (3) The use of the pronoun "you" associated with other indicators of address does play an important role in the modulation of consensus between the coach and the learner. This role is particularly visible when one of enunciators-speakers or both are in an intermediate phase. (4) The enunciator-first speaker necessarily involves one of two intermediate phases and there are the reactions of the enunciator-second speaker to indicate the status of coenunciation (consensus or failure) at that moment of dialogue. Patterns generated by this research interest to several fields of sciences, including linguistics, science education, communication and training.

Le comportement mécanique des alliages métalliques industriels, notamment ceux utilisés dans le domaine de l’aéronautique, est contrôlé par la présence de différents types de précipités et par la nucléation et propagation de défauts cristallins tels que les dislocations. La compréhension du comportement de ces matériaux nécessite des modèles continus afin d’accéder à l’échelle macroscopique. Cependant, même aujourd’hui, les théories conventionnelles de la plasticité utilisent des variables mésoscopique et des équations d’évolution qui ne reposent pas sur la notion de transport de dislocations. En conséquence, ces théories sont basées sur des lois phénoménologiques qu’il est nécessaire de calibrer pour chaque matériau et chaque application. Il est donc souhaitable d’établir le lien entre les échelles micro et macro afin de générer une théorie continue de la plasticité déduite analytiquement des équations fondamentales de la dynamique des dislocations. L’objet de cette thèse est précisément de contribuer à l’élaboration d’une telle théorie. La première étape a consisté à établir rigoureusement la procédure de changement d’échelle dans une situation simplifiée. Nous avons alors abouti à un système d’équations de transport hyperboliques sur des densités de dislocations contrôlées par des contraintes locales de friction et de backstress qui émergent du changement d’échelle. Nous avons ensuite développé une procédure numérique pour calculer ces termes et analyser leur comportement. Finalement, nous avons développé un schéma numérique efficace pour intégrer les équations de transport ainsi qu’un schéma spectral multi-grille pour résoudre l’équilibre élastique associé à un champ de déformation propre quelconque dans un milieu élastiquement anisotrope et inhomogène. / The mechanical behavior of industrial metallic alloys, in particular those used in the aerospace industry, is controlled by the existence of several types of precipitates and by the nucleation and propagation of crystalline defects such as dis- locations. The understanding of this behavior requires continuous models to access the macroscopic scale. However, even today, conventional plasticity theories use mesoscopic variables and evolution equations that are not based on the transport of dislocations. Therefore, these theories are based on phenomenological laws that must be calibrated for each material, or, for each specific applications. It is therefore highly desirable to make link between the micro and macro scales, in order to derive a continuous theory of plasticity from the fundamental equations of the dislocation dynamics. The aim of this thesis is precisely to contribute the elaboration of such a theory. The first step has consisted to rigorously establish a coarse graining procedure in a simplified situation. We have then obtained a set of hyperbolic transport equations on dislocation densities, controlled by a local friction stress and a local back-stress that emerge from the scale change. We have then developed a numerical procedure to compute these local terms and analyze their behavior. Finally, we have developed an efficient numerical scheme to integrate the transport equations as well as a multigrid spectral scheme to solve elastic equilibrium associated to an arbitrary eigenstrain in an elastically heterogeneous and anisotropic medium.

La thèse porte sur deux aciers emboutissables à chaud, soudés en configuration homogène ou hétérogène en termes de composition chimique et d'épaisseur. Les solutions en flans raboutés laser présentent en effet de remarquables performances à l'impact et connaissent un fort développement dans le contexte actuel de l'industrie automobile (réduction des émissions de CO2 et amélioration de la sécurité passive des véhicules). L'opération de soudage laser peut générer une hétérogénéité de la jonction soudée, due au mélange imparfait des deux matériaux et des conditions thermiques de solidification et d'emboutissage à chaud. Les propriétés mécaniques du joint soudé sont donc déterminées par la qualité du mélange, la composition chimique locale et le cycle thermique.La première partie de l'étude est consacrée à la quantification de l'hétérogénéité du joint soudé et la compréhension de la microstructure. Une nouvelle méthodologie a été développée pour étudier le comportement métallurgique et mécanique de ces joints hétérogènes, en élaborant des coulées synthétiques représentant les différentes compositions chimiques attendues dans le joint réel. Le comportement du joint soudé est reconstruit à partir des données obtenues par la caractérisation de ces coulées synthétiques. La deuxième partie de l'étude porte sur la compréhension de la formation de la microstructure de la zone fondue avant et après traitement thermomécanique simulant l'emboutissage à chaud. Des modèles quantitatifs ont été établis pour calculer les températures de changement de phase, les proportions relatives des constituants microstructuraux ainsi que la dureté de ces alliages en fonction de la composition chimique et du cycle thermique. La dernière partie de l'étude porte sur le comportement mécanique après traitement thermique. Des lois de comportement des matériaux synthétiques ont été déterminées en fonction de leur composition chimique et du cycle thermique. La sensibilité à la rupture fragile par clivage a été évaluée par des essais de traction sur éprouvettes sévèrement entaillées. Les lois de comportement obtenues ont été appliquées pour déterminer la tolérance du joint soudé à un défaut géométrique, sous sollicitation de traction uniaxiale. / This thesis is focused on the study of welded steel grades deformed by hot stamping. Typically, a laser welded blank is formed by butt joining two steel sheets, which can be identical or differ in chemical composition and/or sheet thickness. Such laser welded blank solution offers excellent crash performance, significant CO2 emission reduction and passive car safety thus it is of great interest for the automotive industry. The laser welding process may induce chemical and metallurgical heterogeneities arising from an incomplete mixture of the two base metals and from the thermal cycle conditions during welding and the subsequent heat treatment. The mechanical behaviour of the weld is therefore determined by the mixing quality, the chemical composition and the thermal cycle.The first part of the study aims at the quantification of the weld heterogeneity and the characterisation of the resulting microstructure. In this work, a new method is proposed to study the metallurgical and mechanical behaviour of those heterogeneous welds, by elaborating synthetic casted alloys representative of the different chemical compositions that can be locally found in the weld. The behaviour of the weld is then reconstructed from the results obtained from the characterisation of those synthetic casted alloys. The second part of the study concerns the understanding of the microstructure formation in the molten zone before and after a thermo-mechanical treatment which replicates the hot stamping conditions. Quantitative models have been established to calculate the phase transformation temperatures, the proportion of the principal constituents in the microstructure, and hardness of the weld as a function of chemical composition and thermal cycle parameters. The last part of the study is dedicated to the evaluation of the mechanical behaviour of the synthetic alloys after heat treatment. The constitutive material behaviour laws for each alloy have been identified. The sensitivity to brittle cleavage fracture has been assessed by tensile tests on severely notched bars. The constitutive material models are then applied to determine the sensitivity of the weld to geometrical defects under uniaxial loading.

Le perçage par laser est le procédé majoritairement utilisé pour la fabrication des trous de refroidissement des chambres à combustion des moteurs d'avion. La maîtrise de ce procédé, afin de limiter les écarts de géométrie des trous ainsi que les défauts microstructuraux induits, est une problématique qui a un fort enjeu industriel.L'interaction entre un faisceau laser et une matière métallique absorbante dans les régimes de perçage laser implique des phénomènes thermiques et hydrodynamiques dont le rôle sur le perçage n'est pas encore complétement expliqué. Ces travaux de thèse apportent des éléments de réponse par une approche de simulation numérique.Une investigation expérimentale couvrant une large gamme de paramètres opératoires a permis de quantifier la vitesse d'éjection liquide, la pression de recul et la température de surface en cours de procédé et d'analyser l'influence de la puissance crête du faisceau laser et de propriétés physiques matériau sur le perçage. Plusieurs méthodes expérimentales originales d'observations in situ et post-procédé ont été mises en œuvre dans cette investigation.Le modèle physique du perçage laser qui a été retenu pour la simulation intègre les changements de phase solide/liquide et liquide/vapeur, la mobilité des interfaces, l'éjection de la phase liquide et les échanges de chaleur par conduction et convection. Il est résolu en 2D axisymétrique via un code de calcul développé entièrement durant la thèse. Ce développement se base sur une méthode numérique récente, appelée méthode des éléments naturels contraints (CNEM en anglais), qui permet une description lagrangienne des interfaces mobiles et de l'écoulement du liquide. Cette description facilite l'application des conditions aux frontières. Les paramètres et données d'entrée du modèle sont tous issus de la littérature et/ou de mesures expérimentales.Les simulations réalisées ont permis de prédire la plupart des mesures sans aucun ajustement de paramètres. Les écarts observés ont donné des informations inédites sur la contribution de la répartition spatiale du faisceau laser et de la phase vapeur sur la géométrie des trous. L'étude des cycles thermiques a permis de mieux comprendre les transformations métallurgiques induites au cours du perçage laser. / The laser drilling process is the main process used in machining procedures on aeronautic engines, especially in the cooling parts of the engine. The industrial stake is to reduce geometrical deviations of the holes and defects during production.The interaction between a laser beam and an absorbent metallic matter in the laser drilling regime involve thermal and hydrodynamical phenomenon. Their role on the drilling is not yet completely understood. This thesis work is attached to give some responses to these questions with a simulation approach.An experimental investigation was first set up in order to estimate the velocity of the liquid, the vapor pressure and the temperature of the surface and to characterize the influence of the laser power and some material properties on the drilling.The physical model of the laser drilling used for simulations include solid/liquid and liquid/vapor phase transformations, the liquid ejection and the convective and conductive thermal exchanges. It is solved using a homemade calculation code and 2D axisymmetric formulation, developed during the thesis. The development is based on a recent numerical method called CNEM (Constrained Natural Element Method). This method allows us to use a lagrangian representation of the moving boundaries and the liquid flow and so facilitates the application of the boundary conditions. The model parameters were taken from literature or from measures.Simulations results predicted most of measurements without identifying any parameters. The deviations between experiments and simulations gave new discussions on the influence of the laser beam space repartition and on the contribution of the metallic vapor phase on the hole geometry. The thermal cycles were studied clarifying the metallurgical transformations induced by laser drilling.

Dans cette thèse nous utilisons des méthodes globaux de prédiction des structures cristallographiques combinés à des techniques de grande capacité de traitement de données afin de prédire la structure cristalline de différents systèmes et dans des conditions thermodynamiques variées. Nous avons réalisé des prédictions structurales utilisant l'analyse cristalline par optimisation par essaims particuliers (CALYPSO) combinés avec la Théorie Fonctionnel de la Densité (DFT) ce qui a permis de mettre en évidence la stabilité de plusieurs composés jusqu'à la inconnus dans le digramme de phases du système Ba-Si et dans le système N-H-O. Nous avons également réalisé une étude à haute capacité de traitement de données sur un système ternaire de composition ABX2. Nous avons utilisé la Théorie Fonctionnel de la Densité combinant calculs de prototypes structuraux à partir des prédictions structurelles avec la méthode. Dans les paragraphes suivants nous résumons le contenu de différents chapitres de cette thèse. Le premier chapitre qui constitue une brève introduction au travail de cette thèse est suivi du chapitre 2 présentant les aspects théoriques utilisés dans ce travail. D'abord il est fait une brève introduction à la Théorie Fonctionnel de la Densité. A continuation nous décrivons quelques fonctions d'échange-corrélation choisies qui constituent des approximations rendant l'utilisation de la DFT efficace. Ensuite nous présentons différents procédés de prédiction structurale, et en particulier les algorithmes d'optimisation par essaims particuliers et de « Minima Hopping » qeu nous avons utilisés dans cette thèse. Finalement il est discuté comment doit-on se prendre pour évaluer la stabilité thermodynamique des nouvelles phases identifiées. Dans le chapitre 3, nous considérons le système Ba-Si. A travers l'utilisation d'une recherche structurale non-biaisée basée sur l'algorithme d'optimisation par essaims particuliers combinée avec des calculs DFT, nous faisons une étude systématique de la stabilité des phases et de la diversité structurale du système binaire Ba-Si sous haute pression. Le diagramme de phases résultant est assez complexe avec plusieurs compositions se stabilisant et se déstabilisant en fonction de la pression. En particulier, nous avons identifié des nouvelles phases de stœchiométrie BaSi, BaSi2, BaSi3 et BaSi5 qui devraient pouvoir être synthétisées expérimentalement dans un domaine de pressions étendu. Dans le chapitre 4 est présentée notre étude du diagramme de phases du système N-H-O. S'appuyant sur une recherche structural «évolutive » de type ab initio, nous prédisons deux nouvelles phases du système ternaire N-H-O qui sont NOH4 et HNO3 à de pressions allant jusqu'à 150 GPa. La nouvelle phase de NOH4 est stable entre 71 et 150 GPa, tandis que HNO3 est stable entre 39 et 150 GPa (la pression maximum de cette étude). Ces deux nouvelles phases sont lamellaires. Nous confirmons également que la composition NOH5 perd son stabilité pour des pressions supérieures à 122 GPa se décomposant en NH3 et H2O à cette pression. Le chapitre 5 se focalise sur les électrodes transparentes de type-p à base des chalcogénures ternaires. Nous utilisons une approche à grande capacité de traitement de données basée sur la DFT pour obtenir la delafossite et d'autres phases voisines de composition ABX2. Nous trouvons 79 systèmes qui sont absents de la base de données « Materials project database », qui sont stables du point de vue thermodynamique et qui cristallisent soit dans la structure delafossite, soit dans des structures très proches. Cette caractérisation révèle une grande diversité de propriétés allant depuis les métaux ordinaires aux métaux magnétiques et permettant d'identifier quelques candidats pour des électrodes transparents de type-p. Nous présentons enfin à la fin du manuscrit nos conclusions générales et les perspectives de ce travail / In this thesis we use global structural prediction methods (Particle Swarm Optimization and Minima Hopping Method) and high-throughput techniques to predict crystal structures of different systems under different conditions. We performed structural prediction by using the Crystal structure Analysis by Particle Swarm Optimization (CALYPSO) combined with Density Functional Theory (DFT) that made possible to unveil several stable compounds, so far unknown, on the phase diagrams of Ba-Si systerm and N-H-O system. Afterwards, we performed a high-throughput investigation on ternary compounds of composition ABX2, where A and B are elements of the periodic table up to Bi, and X is a chalcogen (O, S, Se, and Te) by using density functional theory and combining calculations of crystal prototypes with structural prediction (Minima Hopping Method). The following paragraphs summarize the content by chapter of this document. Chapter 1 is a short introduction of this thesis. Chapter 2 consists of the basic theory used in this thesis. Firstly, a short introduction of Density Function Theory (DFT) is presented. Then, we describe some approximate exchange- correlation functions that make DFT practical. Next, we introduce different structural prediction algorithms, especially Particle Swarm Optimization and Minima Hopping Method which we used in this thesis. Finally, we discuss the thermodynamic stablility criteria for a new a new structure. In Chapter 3, we first consider Ba–Si system. Using an unbiased structural search based on a particle-swarm optimization algorithm combined with DFT calculations, we investigate systematically the ground-state phase stability and structural diversity of Ba–Si binaries under high pressure. The phase diagram turns out to be quite intricate, with several compositions stabilizing/destabilizing as a function of pressure. In particular, we identify novel phases of BaSi, BaSi2, BaSi3, and BaSi5 that might be synthesizable experimentally over a wide range of pressures. Chapter 4 contains the investigation of the phases diagram of the N–H–O system. By using ab initio evolutionary structural search, we report the prediction of two novel phases of the N–H–O ternary system, namely NOH4 and HNO3 (nitric acid) at pressure up to 150 GPa. Our calculations show that the new C2/m phase of NOH4 is stable under a large range of pressure from 71 GPa to 150 GPa while the P21/m phase of HNO3 (nitric acid) is stable from 39 GPa to 150 GPa (the maximum pressure which we have studied). We also confirmed that the composition NOH5 (NH3H2O) becomes unstable for pressures above 122 GPa. It decomposes into NH3 and H2O at this pressure. Chapter 5 focuses on p-type transparent electrodes of ternary chalcogenides. We use a high-throughput approach based on DFT to find delafossite and related layered phases of composition ABX2, where A and B are elements of the periodic table, and X is a chalcogen (O, S, Se, and Te). From the 15 624 compounds studied in the trigonal delafossite prototype structure, 285 are within 50 meV/atom from the convex hull of stability. These compounds are further investigated using global structural prediction methods to obtain their lowest- energy crystal structure. We find 79 systems not present in the "Materials project database" that are thermodynamically stable and crystallize in the delafossite or in closely related structures. These novel phases are then characterized by calculating their band gaps and hole effective masses. This characterization unveils a large diversity of properties, ranging from normal metals, magnetic metals, and some candidate compounds for p-type transparent electrodes. At the end of the thesis, we give our general conclusion and an outlook

This experimental research aims at investigating the single-phase flow heat transfer and friction factor, flow boiling heat transfer and pressure drop, and flow visualisation in microchannels using de-ionized water. In the literature, many studies failed to explain the effect of aspect ratio on the single-phase and two-phase flow heat transfer rate and pressure drop. Because the channel aspect ratios and hydraulic diameters were varied together in those studies. Also, there is a discrepancy between past studies and the conventional theory for the flow boiling heat transfer characteristics. Accordingly, the objectives of this research can be listed as follows: (i) modifying the existing experimental facility to perform single-phase and two-phase flow heat transfer and pressure drop and two-phase flow pattern visualization experiments in microchannels, (ii) clarifying the fundamental aspects of flow boiling in micro passages, (iii) investigating the aspect ratio, heat flux, mass flux and vapour quality effects on flow patterns, heat transfer rate and pressure drop in single-phase and two-phase flow, (iv) comparing the obtained results with heat transfer and pressure drop correlations and flow pattern maps available in the literature. Consequently, the pre-existing experimental facility was modified in the current research by changing the pre-heaters, flowmeter and piping in order to achieve the goals of this study. Four copper rectangular microchannels were designed and manufactured. Three microchannel test sections having the same hydraulic diameter and length but different aspect ratios were investigated to reveal the effect of aspect ratio on the single-phase and two-phase flow heat transfer rate and pressure drop. The surface roughness of each microchannel was also examined. It was found that the surface roughnesses of all microchannels are similar. Moreover, an additional microchannel test section was used to examine the effect of heated length on the flow boiling heat transfer coefficient and pressure drop. The single-phase flow results demonstrated that the channel aspect ratio has no influence on the friction factor and heat transfer rate for the tested microchannels and experimental range. In the flow boiling experiments, bubbly, bubbly/slug, slug, churn and annular flow regimes were observed in the tested microchannels. The channel aspect ratio effect was found to be small on the observed flow patterns. The experimental flow patterns were predicted well by the flow pattern map proposed by Galvis and Culham (2012) except for the slug flow regime. The flow pattern maps of Sobierska et al. (2006) and Harirchian and Garimella (2009) reasonably predicted the experimental flow pattern data. The flow boiling heat transfer results showed that the prevailing heat transfer mechanism is nucleate boiling for the low and medium heat flux inputs. On the other hand, the dominant heat transfer mechanism is unclear at the high heat flux inputs while smaller aspect ratio microchannel has better heat transfer performance for low and medium heat flux inputs. However, at high heat flux inputs the channel aspect ratio effect was found to be insignificant on the flow boiling heat transfer coefficient. The experimental flow boiling heat transfer coefficient data were reasonably predicted by the correlations of Sun and Mishima (2009), Li and Wu (2010) and Mahmoud and Karayiannis (2011) from the literature. The flow boiling pressure drop characteristics were also examined in the tested microchannels. Outcome of the experiments consistently indicated a highly linear trend between the increasing flow boiling pressure drop and the heat and mass flux. Also, the flow boiling pressure drop increased with the increase in vapour quality. The effect of channel aspect ratio on the flow boiling pressure drop was also assessed. It was found that when the channel aspect ratio decreased, the flow boiling pressure drop increased. The experimental flow boiling pressure drop data were compared to correlations from the literature. Mishima and Hibiki (1996), Yu et al. (2002) and Zhang et al. (2010) correlations reasonably predicted the experimental flow boiling pressure drop results.

Impinging jets are a flow geometry that is of interest in many chemical and processing engineering applications for a wide range of industries. Of particular interest in the current research is their application to particle re-suspension in nuclear reprocessing activities such as the HAS (highly active storage) tanks at Sellafield, UK. The challenging nature of these operations and their environment means that in-situ experimental work is impossible. Therefore, when designing and optimising equipment such as HAS tanks, engineers often turn to computational modelling to help gain an understanding about what effects certain modifications may have on the performance of the jet. The challenge then becomes obtaining physically realistic predictions using the methods available to industry. Impinging jets are complex and complicated flow geometries that have caused a number of problems for computational modellers over the years. Indeed, several turbulence models and approaches have been developed specifically with impinging jets in mind to help overcome some of the more difficult aspects of the flow. The work presented herein compares Reynolds-averaged Navier-Stokes (RANS) commercial codes readily available to industrial users for single- and multi-phase flows with RANS and large eddy simulation (LES) codes developed in an academic research environment. The intention is to contrast and compare and highlight where industrial-based computational models fall short and how these might be improved through implementing schemes with fewer simplified terms. The work conducted for this Engineering Doctorate has modelled a series of impinging jets with varying jet heights and Reynolds numbers using a range of RANS turbulence models within commercial and academic-based codes. This allows not only the discussion of the performance of the applied turbulence models, but also the effects of varying jet height. The predictions are validated against available experimental data for assessment of the performance of the scheme used. The degree of alignment with real, physical data is an indication of the performance of a model and is used to conclude where a particular model has failed or whether it is more suited than another. Different particle sizes have also been considered to determine the ability of different particle tracking schemes to predict particle behaviour based on their response to the continuous phase. Multi-phase data is also validated against limited available experimental data. Finally, LES has been used to demonstrate the next step in complexity in terms of simulation and prediction of continuous phase flows in difficult engineering applications and how these can greatly improve upon predictions from RANS methods.

BackgroundAtrazine suppression of the LH surge slowly develops over time and peaks after 4 days; sensitivity to atrazine decreases after 8 or 14 days of dosing. Adaptation of the LH response was correlated with increased phase I and phase II liver enzyme activity/expression. MethodsThe effect of atrazine on the LH surge was evaluated in female Sprague-Dawley rats administered 100 mg/kg/day atrazine by gavage for 1, 2, 3, or 4 consecutive days or 6.5, 50, or 100 mg/kg/day atrazine for 4, 8, or 14 days. ResultsNo statistically significant effects of atrazine were seen on peak plasma LH or LH area under the curve (AUC) after one, two, or three doses of 100 mg/kg/day. Four daily doses of 50 or 100 mg/kg atrazine significantly reduced peak LH and LH AUCs, whereas 6.5 mg/kg/day had no effect. After 8 or 14 days of treatment, statistically significantly reduced peak LH and LH AUC were observed in the 100 mg/kg/day dose group, but not in the 6.5 or 50 mg/kg/day dose groups, although significantly reduced LH was observed in one sample 9 hr after lights-on in the 50 mg/kg/day dose group on day 14. The number of days of treatment required to achieve a significant suppression of the LH surge is consistent with the repeat-dose pharmacokinetics of the chlorotriazines. ConclusionThe apparent adaptation to the effect of atrazine on the LH surge after 8 or 14 days may be related to the induction of phase I or, more likely, phase II metabolism observed in this study after 8 days, or to a decreased sensitivity of the hypothalamic-pituitary-adrenal axis or an homeostatic adaption of the effect of atrazine on the LH surge mechanism. Birth Defects Research 110:246-258, 2018. (c) 2017 The Authors. Birth Defects Research Published by Wiley Periodicals, Inc.