Low Pressure Die Casting (LPDC) process is one the most common casting process to produce structural automotive components, such as alloy wheels and suspension components. It has been identified that cavity filling and solidification process are two most critical aspects to produce premium quality casting components.During the solidification process of casting alloy, it is a well known phenomenon that metal experiences volumetric shrinkage due to its density difference between liquid and solid phase. When this volumetric shrinkage is not properly compensated, then a casting defect commonly known as solidification shrinkage occurs. The solidification shrinkage has very detrimental effects on structural integrity required for premium quality casting such as aluminium alloy wheels.Literature and practical experiences of foundry men show that it is critical to achieve unidirectional solidification pattern by avoiding an isolated hot spot in order to minimise the solidification shrinkage. However, it is found that the geometry of industrial casting applications is often constrained by other design factors that would not naturally avoid these isolated hot spots. The subject of this research, aluminium alloy wheels, is not excluded from this constraint.In aluminium alloy wheels, an isolated hot spot is commonly observed in an area known as rim and spoke junction due to its geometry constraints. Consequently, the solidification shrinkage is commonly experienced, which is undesirable due to its detrimental effects for the structural integrity of alloy wheels. In order to minimise the solidification shrinkage, forced cooling method is applied to avoid an isolated hot spot. The control of this forced cooling is achieved by cooling media, flow rate of cooling media and duration cooling circuit. Foundry experiments in industrial environment were conducted producing aluminium alloy wheels using commercially treated A356 (Al-Si) alloy, where different durations of cooling circuit were used to understand the sensitivity of solidification shrinkage formation to the duration of cooling circuit. This was followed by metallurgical structure analysis and numerical modelling to suggest the sensitivity of cooling circuit duration in controlling solidification shrinkage.The major finding conclusion of this research is that control of the shrinkage formation is not very sensitive to the duration cooling circuit. It is suggested that as casting solidifies initially from the mould wall, it retracts away from the cast-mould interface due to thermal contraction. Consequently, air gap is formed between casting and mould interface, creating an effective thermal resistance layer. Thereafter, heat transfer across the cast-mould interface is not sensitive to the change in the cooling channel which is a distance to the cast-mould interface.Some limitations of numerical modelling and metallurgical analysis were also identified during this research and recommendations were made to improve the accuracy of local hot spot prediction in production of aluminium alloy wheels. More specifically, numerical modelling of the effect of grain refinement and use of non homogeneous material property (particularly fraction of solid) for rapidly chilled area. Fraction of eutectic rather than secondary dendrites arm spacing is a proper microstructure parameter that can be used to locate the hot spot.

19 Dec 2004. / Published through the Information Bridge: DOE Scientific and Technical Information. "IS-T 2447" Amber Lynn Genau. 12/19/2004. Report is also available in paper and microfiche from NTIS.

19 Dec 2004. / Published through the Information Bridge: DOE Scientific and Technical Information. "IS-T 2113" Halim Meco. 12/19/2004. Report is also available in paper and microfiche from NTIS.

Thesis (Ph. D)--University of Alabama at Birmingham, 2009. / Title from PDF t.p. (viewed June 30, 2010). Additional advisors: Viola L. Acoff, Krishan K. Chawla, Raymond J. Donahue, Gregg M. Janowski, Harry E. Littleton (ad hoc). Includes bibliographical references (p. 143-138).

Les poudres d'alliages aluminium-nickel produites par atomisation peuvent être traitées pour préparer du nickel de Raney, un catalyseur utilisé dans de nombreux procédés industriels. L'activité du catalyseur dépend fortement du déroulement des multiples réactions de solidification pendant l'atomisation. Un modèle de microségrégation pour la solidification d'alliages métalliques est alors développé. En considérant des flux de diffusion finis, des cinétiques de réactions dendritique, péritectique et eutectique et des surfusions de germination, une alternative plus évoluée est proposée aux modèles de Gulliver-Scheil ou de la loi des leviers. Le couplage avec des calculs d'équilibre thermodynamique est effectué pour évaluer les compositions des interfaces et les termes d'enthalpie dans le bilan d'énergie. Le modèle est appliqué à un alliage binaire, avec des densités de phases constantes, pour simuler le procédé d'atomisation de gouttes d'alliage Al-Ni. Un modèle dédié est choisi pour les conditions aux limites d'échange de chaleur. Les résultats sont comparés à des mesures expérimentales obtenues par diffraction de neutron. Des interprétations sont alors établies sur les comportements non triviaux des alliages Al-Ni solidifiés rapidement. Le modèle proposé permet ainsi d'appréhender les effets concurrents des différentes cinétiques (diffusion chimique, bilan d'énergie, vitesse croissance des microstructures, etc.) lors de la solidification hors équilibre. Les principaux développements envisageables autour de ce travail incluent : l'extension aux alliages multicomposés, l'inclusion de densités variables, le couplage avec des calculs macroscopiques.

Submitted by Aelson Maciera (aelsoncm@terra.com.br) on 2017-09-20T17:37:58Z No. of bitstreams: 1 DissRBS.pdf: 2973698 bytes, checksum: 37eb711fcbda392563dc3155916b5d95 (MD5) / Approved for entry into archive by Ronildo Prado (ronisp@ufscar.br) on 2017-09-20T18:10:55Z (GMT) No. of bitstreams: 1 DissRBS.pdf: 2973698 bytes, checksum: 37eb711fcbda392563dc3155916b5d95 (MD5) / Approved for entry into archive by Ronildo Prado (ronisp@ufscar.br) on 2017-09-20T18:11:02Z (GMT) No. of bitstreams: 1 DissRBS.pdf: 2973698 bytes, checksum: 37eb711fcbda392563dc3155916b5d95 (MD5) / Made available in DSpace on 2017-09-20T18:29:35Z (GMT). No. of bitstreams: 1 DissRBS.pdf: 2973698 bytes, checksum: 37eb711fcbda392563dc3155916b5d95 (MD5) Previous issue date: 2017-03-31 / Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq) / Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES) / Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP) / Magnesium is considered a promising candidate in applications of storage hydrogen in the solid state, due, among other factors, to its low relative cost and high gravimetric capacity (7,6 wt%.). For magnesium, the use of transition metals as additives may show great improvements in the kinetics of hydrogen absorption/desorption. Different additives can have different functionalities, for example, reducing the energy barrier for H2 adsorption and acting as a heterogeneous nucleating agent in the kinetics of phase transformation. In this research, the main effects of the use of zirconium (Zr) as an additive of the magnesium for the purposes of hydrogen storage in bulks produced by rapid solidification in melt-spinning furnace and cold rolling were studied in detail. Basically, structural characteristics were related to the behavior of absorption / desorption. The alloy produced by cold rolling showed behavior of activation and absorption similar to the pure Mg which was produced by the same route. For the route processed by melt spinning, the use of zirconium as additive has presented a deleterious effect on the activation. However, after activation, the kinetics of absorption exhibit behavior similar to pure Mg. The activation had significantly improved after mechanical or thermal processing, however, the structural characteristics that permeate this effect still have a lack of studies. For both process route, the desorption kinetics presented excellent results, reducing the complete reaction in a few minutes. With the results obtained it is possible to conclude that the use of zirconium as an additive in magnesium alloys has no beneficial effect on absorption. In the other hand, the desorption is extremely attractive. After exposure to air, it was verified that both compositions presented formation of contaminants on the surface and this made the activation a difficult way. However, this effect was more latent in pure magnesium. / O magnésio é considerado um candidato promissor em aplicações de armazenagem de hidrogênio no estado sólido, devido, entre outros fatores, ao seu baixo custo relativo e elevada capacidade gravimétrica, 7,6% em peso. Para o magnésio, o uso de metais de transição como aditivos pode apresentar melhoras significativas na cinética de absorção/dessorção de hidrogênio. Diferentes aditivos podem ter diferentes funcionalidades, por exemplo, reduzir a barreira energética para a adsorção de H2 e atuar como agente inoculante de nucleação heterogênea na cinética de transformação de fase. Neste trabalho, foram estudados em detalhes os principais efeitos provenientes da utilização de zircônio como aditivo ao magnésio para fins de armazenagem de hidrogênio em massas metálicas volumosas (do inglês, bulks) produzidas por solidificação rápida em forno melt-spinning (da sigla em inglês, MS) e laminação a frio (do inglês, CR, cold rolling). Basicamente, relacionaram-se características estruturais ao comportamento de absorção/dessorção. A liga produzida por laminação a frio apresentou comportamento de ativação e absorção semelhante ao Mg puro produzido pela mesma rota. Para o material processado por melt-spinning, o uso do zircônio como aditivo apresentou efeito deletério na ativação. Contudo, após a ativação, a cinética de absorção exibe comportamento semelhante ao Mg puro. Posteriores processamentos mecânico ou térmico melhoraram significativamente a ativação, contudo, as características estruturais que permeiam tal efeito ainda carecem de estudos. Para ambas as rotas de processamento, a cinética de dessorção apresentou ótimos resultados, reduzindo em poucos minutos a reação completa. Com os resultados obtidos se conclui que o uso do zircônio como aditivo em ligas de magnésio não apresenta efeitos benéficos na absorção. Todavia, a dessorção da liga com Zr é extremamente atrativa. Após exposição ao ar, verificou-se que ambas as composições apresentaram formação de contaminantes sobre a superfície e, isso dificultou a ativação, porém, este efeito foi mais evidente no magnésio puro.

[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.

Os compostos semicondutores ternários, dentre eles o Ga1-xInxSb, têm sido objeto de interesse de pesquisadores e da indústria microeletrônica devido à possibilidade de ajuste da constante de rede, assim como a correspondente modificação da banda proibida de energia e do intervalo de emissão e absorção óptica, com a variação da fração molar de x. A flexibilidade destas propriedades estruturais torna este composto apropriado como substratos para epitaxias de outros compostos ternários e quaternários, na formação de mono e heterojunções. A maneira mais econômica para obtenção de substratos de materiais semicondutores é através do crescimento de cristais a partir da fase líquida. Porém, os parâmetros que regem a obtenção de lingotes de Ga1-xInxSb com qualidade comercial, a partir da fase líquida, ainda não estão bem definidos. O índio tende a segregar para o líquido, pois seu coeficiente de segregação é menor que a unidade (k < 1), resultando num perfil composicional variado ao longo do lingote. Como os binários GaSb e InSb apresentam configurações de defeitos intrínsecos que originam condutividades de tipos opostos, tipo p e tipo n, respectivamente, a mudança na composição da liga, durante o crescimento, provavelmente resulta na modificação da concentração de cada um destes defeitos. A dopagem com telúrio consiste numa alternativa para minimizar a segregação do índio e diminuir a densidade dos defeitos pontuais, melhorando a qualidade estrutural de cristais de Ga1-xInxSb obtidos através do método Bridgman convencional. Desta forma foram crescidos cristais ternários Ga1-xInxSb, com e sem agitação do líquido durante a síntese, com fração molar inicial de índio de 10% e 20%, alguns deles dopados com 1020 átomos/cm3 de telúrio, pelo método Bridgman vertical. A caracterização estrutural em termos de formação de defeitos lineares, interfaciais e volumétricos foi realizada através de imagens obtidas por microscopia óptica, eletrônica de varredura e de transmissão. A homogeneidade composicional e distribuição de fases foi avaliada através de medidas de espectroscopia por dispersão de energia. Medidas de resistividade e efeito Hall foram utilizadas para a caracterização elétrica, enquanto que a transmitância óptica e a banda proibida de energia foram avaliadas por espectrometria FTIR. Os padrões de difração obtidos através da microscopia eletrônica de transmissão foram utilizados para avaliar a cristalinidade das amostras e determinar o parâmetro de rede. Os resultados obtidos indicam que o telúrio atua de forma compensatória, minimizando a segregação de índio e contribuindo para a homogeneidade composicional e redução de defeitos, principalmente de discordâncias. Além disso, altera a condutividade do Ga1-xInxSb para tipo n, mesmo em frações molares de In inferiores a x = 0,5, diminuindo o número de cargas positivas na rede atribuídas aos defeitos tipo GaSb e VGaGaSb e, desta forma, aumenta a concentração de portadores de carga e reduz a resistividade. Na condição de alta dopagem, reduz a transmitância óptica no infravermelho e aumenta a banda proibida de energia através do efeito Burstein-Moss. A avaliação de cristais de Ga1-xInxSb, dopados e não dopados, crescidos pelo método Bridgman convencional contribuiu para o entendimento do comportamento de dopantes em compostos semicondutores ternários. / Ternary compound semiconductors, including Ga1-xInxSb, have been subject of interest of researchers and microelectronics industry because of the possibility of adjusting the lattice constant, as well as the corresponding modification in the band gap energy, and in the optical absorption and emission range, by varying the mole fraction x. The flexibility of their structural properties makes this compound suitable as substrates for epitaxy of other ternary and quaternary compounds, in the formation of mono- and heterojunctions. The most economical way to obtain semiconductor substrates is by crystal growth from the liquid phase. However, the parameters governing the outcoming of Ga1-xInxSb ingots with commercial quality, from liquid phase, are not well defined. Indium tends to segregate to the liquid, since its segregation coefficient is less than the unity (k < 1), resulting in a varied compositional profile along the ingot. As the binary GaSb and InSb have intrinsic defects configurations that originate opposite conductivities, type p and type n, respectively, the change in the alloy composition, while growing, probably results in a modification of the concentration on each of these defects. Doping with tellurium is an alternative to minimize the indium segregation and decrease the density of point defects, therefore improving the structural quality of Ga1-xInxSb crystals obtained through the conventional Bridgman method. Thus, ternary Ga1-xInxSb crystals were grown by vertical Bridgman method with and without stirring the melt during the synthesis, with 10% and 20% initial molar fraction of indium and some of them were tellurium-doped at 1020 atoms/cm3. The structural characterization regarding linear, interfacial, and volumetric defects formation was performed by using images obtained through optical, scanning and transmission electron microscopy. The compositional homogeneity and phase distribution was assessed by energy-dispersive spectroscopy measurements. Resistivity and Hall Effect measurements were used for the electrical characterization, while the optical transmittance and the band gap energy were examined by FTIR spectroscopy. Diffraction patterns obtained by transmission electron microscopy were used to evaluate the crystallinity of the samples and determine the lattice parameter. The results indicate that tellurium acts in a compensatory way, minimizing indium segregation and contributing to the compositional homogeneity and defect reduction, especially in dislocations. In addition, it changes the conductivity of Ga1-xInxSb to n-type, even in mole fraction of In lower than x = 0.5, reducing the number of positive charges on the network assigned to GaSb and VGaGaSb defects, thus increasing the concentration of charge carriers and reducing the resistivity. In high doping condition, it reduces the optical transmittance in the infrared region and increases the energy of the band gap by the Burstein-Moss Effect. The evaluation of Ga1-xInxSb crystals, doped and undoped, grown by the conventional Bridgman method contributed to the understanding of dopants behavior in ternary compound semiconductors.

A produção de fundidos com baixo nível de defeitos e com propriedades mecânicas adequadas é facilmente alcançada com a previsão do comportamento do metal durante a solidificação. A transferência de calor entre o metal-líquido e o molde, nos primeiros instantes de contato, compromete definitivamente as propriedades mecânicas e a qualidade do produto final. O comportamento da transferência de calor entre o metal e o molde foi explorado através da análise térmica experimental e confrontado com o Modelo de Schwarz Modificado (MSM). Para comprovar experimentalmente os fenômenos previstos no MSM tais como: superesfriamento aparente, posição das interfaces líquido-superaquecido/líquido- superesfriado e da sólido/líquido durante a solidificação foram realizados experimentos com alumínio puro, gálio puro e estanho. Para a análise térmica foram utilizados dois sistemas de solidificação vertical descendente (Griffiths et al., 1993; Jinho et al., 1996; Jamgotchian et al., 1987). O sistema A e o sistema B, sendo que o sistema B também permitia a solidificação vertical ascendente. Em ambos os casos, o fluxo de calor foi direcionado através de uma barra de alumínio (na temperatura ambiente) que foi inserida verticalmente no banho (técnica do “dedo frio”). A barra extrai calor do líquido em função da diferença de temperatura entre a massa líquida e a massa sólida e simula o choque térmico do metal líquido com as paredes de um molde. Os resultados experimentais e os obtidos pela simulação foram confrontados. Apresenta-se a relação experimental entre o superesfriamento e a taxa de solidificação. Discute-se o redimensionamento da Ti (temperatura de interface) na solução de Schwarz e a comprovação experimental da solução do MSM. / The production of casting with low level of defects and adjusted mechanical properties can be obtained with the previous knowledge of the metal solidification behavior. The transference of heat between the metal-liquid and the mold, in the first instants of the contact, compromises definitively the mechanical properties and the final product quality. The behavior of the transference of heat between the metal and the mold was carried out through the experimental thermal analysis and the results were compared with the Modified Schwarz Model (MSM). To experimentally prove, the cooled phenomena in the MSM such as: apparent supercooling, liquid superheated/liquid supercooled interfaces position and of the liquid/solid during the solidification experiments had been carried out with pure aluminum, pure gallium and tins. Two systems A and B, one of descending vertical solidification and another one of descending and ascending solidification, had been used for the thermal analysis. In both systems, the heat flow was directed through a bar of aluminum (in the ambient temperature) that was inserted vertically in the bath (“cold finger” technique). The bar extracts heat of the liquid, had the difference of temperature between the liquid mass and the solid mass, and simulates the thermal shock of the metal with the mold walls. The experimental results were compared with simulated data. In this work are presented experimental relation between the supercooling and the rate of solidification. The new dimension of the Ti (temperature of interface) in the Schwarz equation and the experimental evidence of MSM solution, are considered.

This Dissertation is devoted to computational study of the solidification, dynamics and mechanics of model semiflexible polymers with variable chain flexibility as well as a computational investigation of the clogging phenomena observed in granular materials. Chain stiffness is an intrinsic factor that governs single-chain flexibility. It plays a critical role in the physics of polymeric materials. In this work, we employ a coarse-grained polymer model in which chain stiffness can be tuned by a single parameter (bending stiffness kb) that yields chain shape ranging from coil-like to rod-like in the flexible and very stiff limit respectively. In chapter 2, we focus on how chain stiffness affects how polymer melts solidify under thermal cooling. We observe a strong dependence of the solid-state morphology (formed after cooling) upon chain flexibility. In the flexible limit, we find that monomers possess crystalline order while chains retain random-walk like structure. In higher stiffness regime glass formation is obtained while nematic ordering typical of lamellar precursors coexists with close-packing in the rod-like limit. Surprisingly we observe various structures ranging from spiral, to multi-domain nematic phases in the intermediate values of kb. In chapter 3 we go a step further to relate the solidification behaviors of chains discussed in chapter 2 to their melt dynamics. We probe the microstructure and the dynamics of flexible, intermediate-stiffness and rod-like chains. We find that melts of flexible and stiff chains that crystallize under cooling show simple and fast dynamics with Arrhenius temperature dependence. Interestingly, the intermediate-stiffness chains exhibit Vogel-Fulcher dynamical relaxation typical of fragile glass-formers even though their ground states is a nematic-close-packed crystal. There is no compelling argument based on static micro-structure change explaining this dynamical arrest to be found. However, we find that the dynamics of intermediate-stiffness chains is dominated by the stringlike cooperative motion that correlates along their chain backbones. This cooperative rearrangement which is absent in other systems appears to be the main cause of the dynamical arrest observed for intermediate-stiffness chains. In chapter 4, we turn to another class of materials where the negligible contribution of thermal fluctuations gives rise to an interesting phenomenon, i.e. the clogging transition. Clogging is a probabilistic event that occurs through a transition from a homogeneous flowing state to a heterogeneous or phase separated jammed state. The granular system under study is an assemble of bidisperse disks externally driven through a two dimensional periodic substrate. We find that the probability for clogging strongly depend on particle packing, obstacle number and the driving direction. Surprisingly, under relevant conditions we observe a size-specific clogging transition in which the smaller species get trapped while the larger species keep flowing. Chapter 5 returns to discuss the polymer solidification in the context of isostaticity. Results from the simulations of semiflexible polymers described in chapter 2 allow us to derive a generalized isostaticity criterion that can be applied to finite-stiffness chains. The new criterion is based on the characteristic ratio C which characterizes the slow freezing out of configurational freedom of chains as chain stiffness increases. The results of the average coordination number at solidification Z(Ts) suggest a link between jamming in athermal systems and solidification in their thermal counterparts. Finally, in chapter 6 we study the effect of chain stiffness on the mechanical response of glassy polymers. We investigate shear deformation of three systems with a different degree of entanglement. We find that loosely entangled chains display strong shear banding and undergo fracture via chain pullout. In contrast, tightly entangled chains fail at high enough strain along a well-defined plane via chain scission shortly after chains are pulled taut. We explain these chain-stiffness-dependent behaviors qualitatively using the segmental packing efficiency argument and quantitatively using modern plasticity measures