Zugl.: Aachen, Techn. Hochsch., Diss., 2008.

[pt] Neste trabalho realizou-se um estudo básico numérico- experimental, em geometria anular vertical, sobre a solidificação de um hidrato de sal, cuja mudança de fase se dá analogamente à de ligas metálicas binárias. O sistema escolhido foi a substância NH4CL-H2O, e o processo de solidificação foi estudado em três cavidades, de diferentes razões de aspecto, usando-se soluções de diferentes concentrações iniciais. Em todos os experimentos, idênticas condições inicial e de contorno foram adotadas. Para tal, foi montado um aparato experimental que permitiu a visualização do crescimento da estrutura de sólido junto à parede fria e medições locais de temperatura e concentração. As concentrações iniciais foram escolhidas com o intuito de formar uma base de dados experimentais que descrevesse suficientemente o comportamento do sistema durante a solidificação, no qual determinados resultados foram utilizados na comparação com as previsões numéricas. O problema numérico foi resolvido bidimensionalmente, utilizando-se o método de volumes finitos e, analiticamente, foi aplicada às equações de conservação a técnica de obtenção de valores médios em volume. Além da comparação efetuada entre os resultados numéricos e experimentais sobre a evolução temporal das temperaturas e concentrações, também investigou-se o comportamento da solidificação. Adicionalmente, foi avaliada a influência da razão de aspecto, sob a luz da transferência de calor para a parede fria da cavidade e do crescimento da frente de solidificação, ao longo do tempo. Na parte experimental foi desenvolvida uma técnica de medição da concentração, utilizando-se termopares acoplados a fibras ópticas, que permitiu medir esta grandeza, simultaneamente, em pontos escolhidos no domínio, em tempo real, causando mínima perturbação no meio. / [en] In the present work a basic numerical-experimental study was carried out, in vertical annular geometry, about the solidification of a salt hydrate, whose change of phase takes place similarly to the binary metallic alloys. It was chosen the NH4CL-H2O binary system, and the solidification process was studied in three cavities of different aspect ratios, utilizing solutions of distinct initial concentrations. In all the experiments, identical initial and boundary conditions were adopted. For that, an experimental apparatus was set up to be allowed not only the visualization of solid structure growth, that attaches the cold wall, but also local measurements of temperature and concentration. The initial concentration values were chosen to provide an experimental data base that depicted sufficiently the system behavior during the solidification process, in which part of them were used in the comparison with numerical predictions. The numerical problem was solved bi-dimensionally, utilizing the finite volume method and, analytically, it was applied the averaging volume technique to the conservation equations. Besides the comparison between numerical and experimental results about temperature and concentration transients, it was also investigated the solidification behavior. Additionally, it was evaluated both the temporal influence of the aspect ratio against the heat transfer to the cold wall of the cavity, and about the solidification front progress. Further, in the experimental part of this study, it was developed a technique for the determination of the concentration in any point of interest, making use of thermocouples attached to optical fiber sensors, that allowed to make several measurements simultaneously, in real time, causing minimal disturbance in the medium.

[pt] O objetivo deste trabalho é fazer uma modelagem numérica por elementos finitos de tensões residuais em peças de liga ferro-níquel e aço carbono submetidas a tratamentos térmicos,considerando mudanças de fase.Com este objetivo, foram desenvolvidos códigos computacionais orientados a objetos para análise térmica não-linear acoplado à análise da micro-estrutura. Códigos implementados em POO também foram criados para análise elasto-plástica, onde a distribuição de temperatura e as frações parciais dos constituintes são dados de entrada. As propriedades termo- mecânicas do material são consideradas dependentes tanto da temperatura quanto da fração parcial de cada constituinte. No tratamento térmico está sendo considerado a formação de martensita segundo o esquema de Koistinen e Marburger (1959). É abordado também a formação difusional de perlita e bainita, segundo o esquema proposto por Avrami (1939). Por fim, é apresentado um novo modelo para calcular os parâmetros cinéticos das transformações difusionais austenita-perlita e austenita-bainita. / [en] The objective of this thesis is to perform a finite element analysis of residual stress in Fe-Ni alloys and carbon steel heat-treated pieces, considering phase changes. To achieve this goal, a object oriented computer code for the non-linear thermal analysis coupled with a code for a micro-structural analysis were developed. OPP codes were also created for an elasto-plastic analysis, with temperature distribution and constituents partial fraction as input data. The material properties are considered dependent on both the temperature and the partial fraction for all analyses.In the thermal treatment, the martensite transformation according to Koistinen and Marburger (1959) scheme and the diffusional formation of pearlite and bainite according to Avrami (1939) are considered. Finally, a new model to calculate the kinetics parameters of the diffusional austenite-pearlite and austenite-bainite transformations is presented.

abstract: Phase Change Material (PCM) plays an important role as a thermal energy storage device by utilizing its high storage density and latent heat property. One of the potential applications for PCM is in buildings by incorporating them in the envelope for energy conservation. During the summer season, the benefits are a decrease in overall energy consumption by the air conditioning unit and a time shift in peak load during the day. Experimental work was carried out by Arizona Public Service (APS) in collaboration with Phase Change Energy Solutions (PCES) Inc. with a new class of organic-based PCM. This "BioPCM" has non-flammable properties and can be safely used in buildings. The experimental setup showed maximum energy savings of about 30%, a maximum peak load shift of ~ 60 min, and maximum cost savings of about 30%. Simulation was performed to validate the experimental results. EnergyPlus was chosen as it has the capability to simulate phase change material in the building envelope. The building material properties were chosen from the ASHRAE Handbook - Fundamentals and the HVAC system used was a window-mounted heat pump. The weather file used in the simulation was customized for the year 2008 from the National Renewable Energy Laboratory (NREL) website. All EnergyPlus inputs were ensured to match closely with the experimental parameters. The simulation results yielded comparable trends with the experimental energy consumption values, however time shifts were not observed. Several other parametric studies like varying PCM thermal conductivity, temperature range, location, insulation R-value and combination of different PCMs were analyzed and results are presented. It was found that a PCM with a melting point from 23 to 27 °C led to maximum energy savings and greater peak load time shift duration, and is more suitable than other PCM temperature ranges for light weight building construction in Phoenix. / Dissertation/Thesis / M.S. Mechanical Engineering 2010

La présente étude se fonde sur la méthode du volume de fluide (en anglais VOF pour Volume-of-Fluid), proposée à l'origine par Hirt et Nicols. L'objectif de la première partie de ce travail est l'étude hydrodynamique de la cavitation isotherme dans les grands nuages de bulles. Cette étude s'inscrit plus généralement dans un large effort de recherche en micro--écaillage mené par le CEA. Une méthode capable de traiter la présence de cavités de vapeur de volume variable ou encore de pores a été formulée et implémentée dans un code existant, PARIS. L'écoulement est idéalisé en supposant un liquide parfait, des effets thermiques négligeables et une pression de vapeur nulle. Une étude innovante est présentée, traitant de l'interaction du nuage de bulles dans un liquide en expansion par simulation numérique directe. Les résultats des simulations révèlent l'existence d'un concours de cavités dans un certain régime caractérisé par le nombre de Weber.Dans la deuxième partie de l'étude, le système d'équations à résoudre est modifié et généralisé afin de décrire l'écoulement incompressible d'un fluide diphasique tout en incluant la possibilité d'un changement de phase à l'interface. Une nouvelle méthode VOF est proposée, dans laquelle une nouvelle technique d'advection de la fonction VOF permet de traiter à la fois la conservation de la masse et de l'énergie sous une forme conservative. Les expériences numériques démontrent la précision, la robustesse et la généralité de la méthode proposée, et témoignent d'un développement fondamental important pour l'application des méthodes VOF à la modélisation des changements de phase. / Direct numerical simulation of two-phase ow is used extensively for engineering research and fundamental fluid physics studies [54, 81]. This study is based on the Volume-Of-Fluid (VOF) method, originally created by Hirt and Nicols [30]. This method has gained increased popularity, especially when geometric advection techniques are used coupled with a planar reconstruction of the interface [14, 89]. The focus of the first part of this work is to investigate the hydrodynamics of isothermal cavitation in large bubble clouds, which originated from a larger study of micro-spalling [61], conducted by the French CEA. A method to deal with volume-changing vapour cavities, or pores, was formulated and implemented in an existing code, PARIS . The ow is idealized by assuming an inviscid liquid, negligible thermal effects and vanishing vapour pressure. A novel investigation of bubble cloud interaction in an expanding liquid using direct or detailed numerical simulation is presented. The simulation results reveal a pore competition, which is characterised by the Weber number in the ow. In the second part of the study the governing equations are extended to describe incompressible ow with phase change [79]. The description of the work commences with the derivation of the governing equations. Following this, a novel, geometric based, VOF solution method is proposed. In this method a novel way of advecting the VOF function is invented, which treats both mass and energy conservation in conservative form. New techniques include the advection of the interface in a discontinuous velocity field. The proposed algorithms are consistent and elegant, requiring minimal modifications to the existing code. Numerical experiments demonstrate accuracy, robustness and generality. This is viewed as a significant fundamental development in the use of VOF methods to model phase change.

[pt] Um dispositivo experimental foi desenvolvido para o estudo do superresfriamento da água em cápsulas cilíndricas visando sua utilização em processos de termoacumulação. A bancada experimental é constituída basicamente por: seção de teste, sistema de resfriamento, sistema de visualização, sistema de aquisição e armazenamento de dados. A temperatura do fluido externo, ou fluido de transferência (FT), uma solução aquosa de álcool a 50% por volume, foimantida constante por um banho de temperatura controlada durante cada teste. O trabalho foi dividido em quatro etapas. A primeira trata do estudo estatístico do super-resfriamento e da nucleação, em que foram utilizados 3 materiais distintos (alumínio, acrílico e PVC) para cápsulas de 30 e 80 mm de diâmetro com diferentes tipos de rugosidade, e diferentes temperaturas do FT. A segunda etapa investiga a Taxa de Resfriamento, parâmetro que quantifica a queda da temperatura e influencia fortemente o super-resfriamento e a nucleação. Na terceira etapa, foi estudada a influência da rugosidade da parede interna da cápsula. Nesta etapa, quatro cápsulas de alumínio distintas, com diferentes rugosidades, foram utilizadas. Finalmente, na quarta etapa foram realizadas visualizações do fenômeno de nucleação. Os resultados obtidos indicam que o material da cápsula (condutividade e rugosidade) e a temperatura do FT têm grande influência nos fenômenos de super-resfriamento e nucleação da água em cápsulas cilíndricas, afetando fortemente o processo de mudança de fase. / [en] An experimental device was developed for the super-cooling water in cylindrical capsules study, seeking its use in term- accumulation processes. The experimental set is constituted basically by: test section, cooling system, visualization system, and data logger system. The temperature of the external fluid, or transfer fluid (FT), an alcohol aqueous solution with 50% per volume, it was maintained unchangeably with a bath controlled temperature during each test. The work was divided in four stages. The first one is about the statistical study of the super-cooling and nucleation, where 3 distinct materials were used (aluminum, acrylic and PVC) for capsules of 30 and 80 mm diameter, different roughness type, with different temperatures of FT. The second stage investigates the Cooling Rate, parameter that quantifies the falling of the temperature and it influences strongly the super-cooling and the nucleation process. In the third stage, the influence of the internal wall of the capsule was studied. In this stage, four different capsules of aluminum, with different roughness were used. Finally, in the fourth stage, visualizations of the nucleation phenomenon were accomplished. The obtained results indicate that the capsule material (conductivity and roughness) and the FT temperature has great influence in the phenomena of super-cooling and nucleation of the water in cylindrical capsules, affecting, strongly, the process of phase change.

abstract: The complicated, unpredictable, and often chaotic hot water usage pattern of typical households severely limits the effectiveness and efficiency of traditional solar hot water heater systems. Similar to large scale concentrating solar power plants, the use of thermal energy storage techniques to store collected solar energy as latent heat has the potential to improve the efficiency of solar hot water systems. Rather than being used to produce steam to generate electricity, the stored thermal energy would be used to heat water on-demand well after the sun sets. The scope of this thesis was to design, analyze, build, and test a proof of concept prototype for an on-demand solar water heater for residential use with latent heat thermal energy storage. The proof of concept system will be used for future research and can be quickly reconfigured making it ideal for use as a test bed. This thesis outlines the analysis, design, and testing processes used to model, build, and evaluate the performance of the prototype system. The prototype system developed to complete this thesis was designed using systems engineering principles and consists of several main subsystems. These subsystems include a parabolic trough concentrating solar collector, a phase change material reservoir including heat exchangers, a heat transfer fluid reservoir, and a plumbing system. The system functions by absorbing solar thermal energy in a heat transfer fluid using the solar collector and transferring the absorbed thermal energy to the phase change material for storage. The system was analyzed using a mathematical model created in MATLAB and experimental testing was used to verify that the system functioned as designed. The mathematical model was designed to be adaptable for evaluating different system configurations for future research. The results of the analysis as well as the experimental tests conducted, verify that the proof of concept system is functional and capable of producing hot water using stored thermal energy. This will allow the system to function as a test bed for future research and long-term performance testing to evaluate changes in the performance of the phase change material over time. With additional refinement the prototype system has the potential to be developed into a commercially viable product for use in residential homes. / Dissertation/Thesis / Masters Thesis Engineering 2015

abstract: The rapid progress of solution-phase synthesis has led colloidal nanocrystals one of the most versatile nanoscale materials, provided opportunities to tailor material's properties, and boosted related technological innovations. Colloidal nanocrystal-based materials have been demonstrated success in a variety of applications, such as LEDs, electronics, solar cells and thermoelectrics. In each of these applications, the thermal transport property plays a big role. An undesirable temperature rise due to inefficient heat dissipation could lead to deleterious effects on devices' performance and lifetime. Hence, the first project is focused on investigating the thermal transport in colloidal nanocrystal solids. This study answers the question that how the molecular structure of nanocrystals affect the thermal transport, and provides insights for future device designs. In particular, PbS nanocrystals is used as a monitoring system, and the core diameter, ligand length and ligand binding group are systematically varied to study the corresponding effect on thermal transport. Next, a fundamental study is presented on the phase stability and solid-liquid transformation of metallic (In, Sn and Bi) colloidal nanocrystals. Although the phase change of nanoparticles has been a long-standing research topic, the melting behavior of colloidal nanocrytstals is largely unexplored. In addition, this study is of practical importance to nanocrystal-based applications that operate at elevated temperatures. Embedding colloidal nanocrystals into thermally-stable polymer matrices allows preserving nanocrystal size throughout melt-freeze cycles, and therefore enabling observation of stable melting features. Size-dependent melting temperature, melting enthalpy and melting entropy have all been measured and discussed. In the next two chapters, focus has been switched to developing colloidal nanocrystal-based phase change composites for thermal energy storage applications. In Chapter 4, a polymer matrix phase change nanocomposite has been created. In this composite, the melting temperature and energy density could be independently controlled by tuning nanocrystal diameter and volume fractions. In Chapter 5, a solution-phase synthesis on metal matrix-metal nanocrytal composite is presented. This approach enables excellent morphological control over nanocrystals and demonstrated a phase change composite with a thermal conductivity 2 - 3 orders of magnitude greater than typical phase change materials, such as organics and molten salts. / Dissertation/Thesis / Doctoral Dissertation Mechanical Engineering 2015

Les mémoires à changement de phase sont l'un des candidats les plus prometteurs pour la prochaine génération de mémoires non-volatiles. Un intense effort de recherche est requis pour optimiser les matériaux à changement de phase (PC) utilisés dans ces mémoires. En particulier, il a été démontré que le dopage améliore les propriétés de rétention des dispositifs. Par ailleurs, l'étude des effets de réduction de taille et des effets des matériaux d'interface sur les propriétés des matériaux à changement de phase est encore un sujet de recherche ouvert. Dans ce contexte, la première partie de la thèse est dédiée à l'investigation de la structure locale de GeTe amorphe dopé avec C ou N. L'effet du dopage sur la structure a été observé expérimentalement via l'apparition d'un nouveau pic dans la fonction de distribution de paires de GeTe dopé, ce qui montre la formation d'une nouvelle liaison interatomique absente dans le matériau non dopé. La présence de nouvelles configurations incluant le carbone et l'azote a été confirmée par des simulations ab initio. L'objet de la deuxième partie de la thèse est l'influence de la réduction de taille sur la cristallisation de Ge2Sb2Te5 (GST). Des agrégats nanométriques de GST ont été fabriqués par pulvérisation puis déposés et étudiés par diffraction des rayons X en utilisant le rayonnement synchrotron. Dans l'état cristallisé une très forte déformation positive des agrégats est observée et attribuée à la matrice d'Al2O3 qui entoure les agrégats. La température de cristallisation des agrégats est de 25°C plus élevée que celle d'un film de GST de 10 nm déposé dans les mêmes conditions. Ce résultat est encourageant pour les futurs développements des mémoires à changement de phase car il montre que l'effet de réduction de taille sur la température de cristallisation peut-être faible. La troisième et dernière partie de la thèse est dédiée à l'investigation des effets des matériaux d'interface sur la température de cristallisation de films minces de GeTe et GST par des mesures de réflectivité et de diffraction des rayons X. Pour les deux matériaux, la température de cristallisation de films de 100 nm est plus grande pour une interface avec du Ta que pour une interface avec du TiN ou du SiO2. Une différence aussi marquée n'était jamais montré auparavant. Les résultats suggèrent que l'interface SiO2/GeTe est énergétiquement favorable pour la nucléation et la croissance de grains avec une orientation préférentielle et que les mécanismes de nucléation et croissance sont différents pour différents matériaux d'interface. / Phase Change Memories (PCM) are one of the best candidates for the next generation of non volatile memories. A great research effort is still needed in order to optimize the properties of phase change (PC) materials which are used in PCM devices. In particular, doping has been demonstrated to improve retention in devices. Moreover, a study of the effect of scaling and interface material on PC materials properties is still an open research field. In this context, the first part of the thesis is dedicated to investigate the local structure of C or N doped amorphous GeTe. The impact of doping is observed experimentally with the appearance of a new peak in the pair distribution function of doped GeTe, indicating the formation of a bond at a new distance that is absent in the undoped amorphous material. The presence of new environments involving carbon and nitrogen is confirmed through ab initio simulations. The subject of the second part of this thesis is the impact of confinement on Ge2Sb2Te5 (GST) crystallization mechanism. Nano-sized clusters of GST have been made by sputtering, deposited and then studied through X-ray diffraction using synchrotron radiation. The crystalline clusters experience a tensile strain that can be ascribed to the effect of the embedding Al2O3 matrix. Their crystallization temperature has been found to be only 25°C higher than the one observed for a thin film of GST of 10 nm deposited under the same conditions. This result is positive for the future development PCM because it indicates that the scaling effect on the crystallization temperature in phase change material can be small. The third and last part of the thesis is dedicated to the investigation of the interface material effect on the crystallization temperature of GeTe and GST thin films through reflectivity and X-ray diffraction measurements. In both GeTe and GST film 100 nm thick interfaced with Ta the crystallization temperature is higher than in the case of TiN or SiO2 interface. Such an interface effect on relatively thick films was never reported before. The results suggest that the SiO2/GeTe interface is energetically favourable for the nucleation and growth of grains with a preferred orientation and that nucleation and growth mechanisms are different for different interface materials.

Orientador: Luiz Eduardo de Ângelo Sanchez / Banca: Vicente Luiz Scalon / Banca: Alisson Rocha Machado / Resumo: A crescente produtividade de aumento na produtividade em operações de usinagem toma cada vez mais importante o desenvolvimento de novas ferramentas de corte e novos métodos de manufatura, os quais devem ter a capacidade de preencher a demanda atual. Deste modo, muitos esforços têm sido direcionados para permitir a utilização de velocidade de corte cada vez maiores. Um grande desafio é controlar a temperatura durante o processo de usinagem, uma vez que a temperatura aumenta com o aumento da velocidade de corte, reduzindo a dureza a quente da ferramenta e alimentando os mecanismos de desgaste. Para minimizar estes efeitos, vários métodos de refrigeração têm sido propostos, cada um com suas vantagens e desvantagens. Os métodos convencionais de refrigeração, que utilizam fluidos de corte, embora possuam eficiência reconhecida, adicionam custos ao processo, além de serem causadores de problemas relacionados com o meio ambiente e com a saúde dos operadores. Neste contexto a usinagem a seco, associada com o emprego de ferramenta com alta dureza a quente, tem sido um bom método para evitar os problemas mencionados. Outra opção é a usinagem criogênica, que utiliza ferramentas de metal duro em temperaturas abaixo de -150ºC, utilizando, para isso, nitrogênio líquido como fluido refrigerante. Entretanto, este método traz alguns problemas, como a necessidade de equipamentos especiais com tamanho significante ao lado da máquina-ferramenta. Neste estudo é proposto o desenvolvimento e a construção de um sistema de refrigeraçã de ferramenta para o processo de tornemaneto, com baixo custo e manutenção simples, composto por um porta-ferramenta, com um fluido refrigerante passando internamente ao seu corpo em um circuito fechado, onde o fluido evapora em uma câmara abaixo do inserto de usinagem, removendo assim calor da ferramenta. O fluido refrigerante passa então através... (Resumo completo, clicar acesso eletrônico abaixo) / Abstract: The growing need of increase in productivity in machining operations emphasizes the importance of the development of new cutting tools and new manufacturing methods, which have the capacity to fulfill the present demand. In this way, many efforts are directed to enable the utilization of higher cutting speeds. One great challenge is to control the temperature during the machining process, since the temperature rises with the increase of the cutting speed, reducing the hot hardness of the cutting tool and accelerating the tool wear mechanism. To minimize these effects, many cooling methods have been proposed, each one with advantages and disadvantages. The conventional cooling methods, which use cutting fluids, although have recognized efficiency, add costs to the process, besides to cause problems regarding to the environment and operators health. In this context, dry machining, associated with the employment of tools with high hot hardness, has been a good method to avoid these problems. Another option is the cryogenic machinig, which utilizes carbide tools in temperatures lower than - 150ºC, using, for this, liquid nitrogen as cooling fluid. However, this method brings some problems, like the need of special devices with significant size around the machine-tool. In this work, it is proposed the development and the construction of a cooling tool system for turning process, with low cost and simple maintenance, composed by a tool-holder, with a cooling fluid flowing within its body in a loop circuit, where the fluid evaporates just under the insert location, removing heat from it. The cooling fluid passes through a heat exchanger where it condensates and a new cyble is started. As result the development system provides a tool life equal or better than with the cutting fluid application, with clear economic and environmental advantages / Mestre