Thesis (Ph.D.). / Written for the Dept. of Physics. Title from title page of PDF (viewed 2009/06/11). Includes bibliographical references.

Thesis submitted in fulfilment of the requirements for the degree Master of Technology: Mechanical Engineering in the Faculty of Engineering at the Cape Peninsula University of Technology 2013 / High temperatures encountered in combustion chambers of jet engines has demanded the creation of new technologies and new materials for the construction of one of the most critical elements of these systems - the stator and rotor turbine blades. They have to withstand extreme temperatures for extended periods without the loss of mechanical strength, conditions under which many steels and alloys fail. Such failure is ascribed to the combination of high temperatures and high centrifugal forces, resulting in creep. The high temperature creep mechanism of grain boundary sliding has limited the operation capability of fine-grained equiaxed castings. Higher operating temperatures were achieved with higher alloy contents and coarse-grained equiaxed castings. This is especially prevalent in multi-crystalline structures in which grain boundaries present weaknesses in the structure. However, notwithstanding these improvements, high temperature resistant alloys formed as single crystal structures offer the necessary material properties for safe performance under these extreme conditions. Damage to turbine blade surfaces is often caused by oxidation and hot corrosion. For this reason, turbine blades are coated with a thermal barrier coating (TBC), which consists of ceramic materials that reduce the heat flux through the airfoil. In this research work, modelling and simulation techniques were initially used to study the directional solidification (DS) of crystal structures during vacuum investment casting. The modelling of the solidification process was implemented using a Finite Element casting simulation software, ProCAST, to predict thermal and flow profiles. These models allowed the study of the dendritic growth rate, the formation of new grains ahead of the solid/liquid interface and the morphology of the dendritic microstructure. These studies indicated the opportunity to optimise the velocity of the solidification front (solidification rate) for single crystal structures. The aim of this research was therefore to investigate the effect of the solidification rate (or withdrawal velocity) on the quality of SC castings. The investigations were carried out for nickel-based superalloy CMSX-4 turbine blade casts and rods using the Bridgman process for vacuum investment casting. The SC castings were heat treated to improve the grain structure for enhanced creep resistance. The heat treated SC castings were inspected by X-ray diffraction to analyse crystallographic orientation and chemical composition; and by SEM, OP (optical microscopy) and microprobe analysis to analyse the microstructure; in addition to macrostructural investigations. In the experimental analysis, the formation of new grains ahead of the solidi/liquid interface and the effect of dendrite packing patterns on the primary dendrite spacing were investigated. Creep tests were conducted to compare the creep properties of the SC castings for different withdrawal rates, and to draw conclusions regarding the effect of withdrawal rate on the microstructure (and hence the creep properties) of SC castings.

Aluminum alloys are presently used extensively as a conductor material for overhead transmission wires. Their lack of strength must be compensated by using a reinforcing agent, namely steel. The aim of this thesis was to investigate the possibility of deforming Al-Fe and Al-Ni alloys in order to produce high strength, high conductivity wire product. The main goal was to produce a two phase Al alloy wire with adequate strength so that the wire would be self supporting as an overhead electrical power transmission line. The Al-Fe and Al-Ni two phase alloy rods were Ohno cast to provide directional solidification. In both alloys, wire drawing was unsuccessful due to fiber fracture and damage accumulation during drawing. The Al-Fe alloy was subjected to hydrostatic extrusion in an attempt to induce co-deformation of the matrix material and the brittle intermetallic second phase, Al6Fe. Hydrostatic extrusion proved to be successful in inducing some deformation of the Al6Fe and provided valuable initial insight into the investigation of the deformation of Al6Fe. The final stage in the development of an aluminum alloy for use as a self supporting overhead transmission wire was the development of a “macrocomposite”. This macrocomposite was a combination of an Fe rod 4 mm in diameter and a tube of aluminum 8 mm in diameter. This macrocomposite was successfully cold worked to achieve an overall yield strength of 395 MPa. / Thesis / Master of Engineering (MEngr)

This dissertation mainly focuses on the development of new numerical models to simulate transport phenomena and predict the occurrence of macrosegregation defects known as freckles in directional solidification processes. Macrosegregation models that include double diffusive convection are very complex and require the simultaneous solution of the conservation equations of mass, momentum, energy and solute concentration. The penalty method and Galerkin Least Squares (GLS) method are the most commonly employed methods for predicting the interdendritic flow of the liquid melt during the solidification processes. The solidification models employing these methods are computationally inefficient since they are based on the formulations that require the coupled solution to velocity components in the momentum equation Motivated by the inefficiency of the previous solidification models, this work presents three different numerical algorithms for the solution of the volume averaged conservation equations. First, a semi explicit formulation of the projection method that allows the decoupled solution of the velocity components while maintaining the coupling between body force and pressure gradient is presented. This method has been implemented with a standard Galerkin finite element formulation based on bi-linear elements in two dimensions and tri-linear elements in three dimensions. This formulation is shown to be robust and very efficient in terms of both the memory and the computational time required for the macrosegregation computations. The second area addressed in this work is the use of adaptive meshing with linear triangular elements together with the Galerkin finite element method and the projection formulation. An unstructured triangular mesh generator is integrated with the solidification model to produce the solution adapted meshes. Strategies to tackle the different length scales involved in macrosegregation modeling are presented. Meshless element free Galerkin method has been investigated to simulate the solidification processes to alleviate the difficulties associated with the dependence on the mesh. This method is combined with the fractional step method to predict macrosegregation. The performance of these three numerical algorithms has been analyzed and two and three dimensional simulations showing the directional solidification of binary Pb-Sn and multicomponent Ni base alloys are presented.

This thesis entails a detailed microstructure analysis of directionally solidified (DS) Al-7Si alloys processed in microgravity aboard the International Space Station and similar duplicate ground based experiments at Cleveland State University. In recent years, the European Space Agency (ESA) has conducted experiments on alloy solidification in microgravity. NASA and ESA have collaborated for three DS experiments with Al- 7 wt. % Si alloy, aboard the International Space Station (ISS) denoted as MICAST6, MICAST7 and MICAST12. The first two experiments were processed on the ISS in 2009 and 2010. MICAST12 was processed aboard the ISS in the spring of 2014; the resulting experimental results of MICAST12 are not discussed in this thesis. The primary goal of the thesis was to understand the effect of convection in primary dendrite arm spacings (PDAS) and radial macrosegregation within DS aluminum alloys. The MICAST experiments were processed with various solidification speeds and thermal gradients to produce alloy with differences in microstructure features. PDAS and radial macrosegregation were measured in the solidified ingot that developed during the transition from one solidification speed to another. To represent PDAS in DS alloy in the presence of no convection, the Hunt-Lu model was used to represent diffusion-controlled growth. By sectioning cross-sections throughout the entire length of solidified samples, PDAS was measured and calculated. The ground-based (1-g) experiments done at Cleveland State University CSU were also analyzed for comparison to the ISS experiments (0-g). During steady state in the microgravity environment, there was a reasonable agreement between the measured and calculated PDAS. In ground-based experiments, transverse sections exhibited obvious radial macrosegregation caused by thermosolutal convection resulting in a non-agreement with the Hunt- Lu model. Using a combination of image processing techniques and Electron Microprobe Analysis, the extent of radial macrosegregation was found to be a function of processing conditions and PDAS.

Cette thèse, de nature expérimentale, porte sur l'étude du couplage fluide / interface de croissance en solidification dirigée en lames minces. En solidification naturelle, les écoulements de nature convective ou solutale engendrent un transport de soluté devant le front et modifient la dynamique des microstructures. Ils sont modélisés ici en lames minces par un écoulement de Poiseuille induit par un thermosiphon. Au-delà des effets d'inclinaison de microstructures et d'asymétrie du développement des branchements, un nouveau phénomène est mis en évidence : des ondes progressives interfaciales modifiant fortement les microstructures. Trois types d'ondes sont observés. Leur diagramme d'existence est déterminé en fonction des vitesses de solidification et d'écoulement, et leurs caractéristiques principales en vitesse de phase, amplitude et asymétrie sont identifiées. Elles apparaissent quasi-insensibles à l'épaisseur de l'échantillon et à la longueur thermique. La cohérence de leur mécanisme de propagation est explicitée en tenant compte de la concentration et de la vitesse de l'interface, ainsi que de la forme des microstructures et de leur rejet de soluté. Ces ondes interfaciales créent des modulations de concentration, dont l'échelle caractéristique ne dépend pas de la nature des ondes ou du gradient thermique, mais seulement du rapport entre vitesse de l'écoulement et vitesse de solidification. La microségrégation et donc les propriétés résultantes des matériaux en sont alors directement influencées. / This thesis addresses the experimental study of the coupling between a flow and a growth interface in directional solidification in a thin sample. In natural solidification, the convective or solutal flows both generate a transport of solute along the front and modify the microstructure dynamics. They are modelled here in a thin sample by a Poiseuille flow induced by a thermosiphon. Beyond the effects of microstructure inclination and of asymmetry of sidebranch development, a new phenomenon is evidenced : the existence of the interfacial travelling waves that strongly affect microstructures. Three kinds of waves are observed. Their diagram of existence is determined as a function of both the pulling velocity and the flow velocity, and their main characteristics in phase velocity, amplitude and asymmetry are identified. They appear almost insensitive to the thickness of the sample and to the thermal length. The coherence of their propagation mechanism is made explicit when involving the concentration and the velocity of interface together with the form and the solute rejection of microstructures. These interfacial waves create concentration modulations whose characteristic scale does not depend on the wave type or the thermal gradient, but on the ratio of flow velocity to solidification velocity only. They then directly influence the microsegregation and thus, the resulting material properties.

Novas rotas para obtenção de silício grau solar a partir de silício grau metalúrgico estão em desenvolvimento e a solidificação direcional é uma etapa presente em todos os processos propostos. O refino de silício por solidificação direcional baseia-se no fenômeno de macrossegregação das impurezas. Experimentos de solidificação direcional transiente foram realizados em condições estáticas utilizando um equipamento projetado no âmbito desse trabalho. A partir de um experimento de referência, foram avaliadas as influências da alteração do material da base do cadinho, altura do lingote e condição de resfriamento do forno. Para estudo das condições de solidificação e dos mecanismos envolvidos no fenômeno de macrossegregação de solutos foi proposto e implementado um modelo matemático. Esse modelo considera as equações gerais de transporte no caso unidirecional e o transporte de espécies químicas por difusão macroscópica e convecção. A convecção foi tratada a luz da teoria da camada estagnada a frente da interface sólido-líquido. Variáveis como velocidade da interface sólido-líquido, gradiente de temperatura, perfis de concentração de soluto e de fração de sólido foram obtidos com o modelo matemático utilizando as temperaturas medidas no silício durante os experimentos de solidificação como condições de contorno do modelo. Os resultados experimentais mostraram que sob algumas condições foram obtidos lingotes com macroestrutura típica de solidificação unidirecional e, além disso, as microestruturas mostraram evidências de macrossegregação de solutos. Os resultados do modelo matemático mostraram que a solidificação ocorreu em diferentes condições de velocidade da interface sólido-líquido e gradiente de temperatura nos experimentos. Os resultados obtidos com a utilização do modelo matemático mostraram que a convecção teve papel fundamental no fenômeno de macrossegregação de solutos. / New process routes are under development to obtain solar grade silicon from metallurgical grade one, and the directional solidification is an essential step in all proposed process routes. The silicon refining by directional solidification is based on the impurities macrosegregation phenomena. Transient solidification experiments were conducted under a static condition in a furnace projected for this work. From a reference experiment it was analyzed the effects of the changing the material of the crucible base, the ingot height and the cooling condition of the furnace. A mathematical model was proposed and implemented in order to study the solidification conditions and the main mechanisms regarding the macrosegregation phenomena. The mathematical model considers the conservation equations in one direction and the transport of chemical species occurs by diffusion and convection. The convection was treated using the diffusion layer theory. The velocity of solid-liquid interface, temperature gradient and profiles of solute concentration and solid fraction were obtained using the temperatures on silicon during the solidification experiments as boundaries conditions of the model. The experimental results showed that under some conditions it was obtained ingots with typical unidirectional macrostructure and, besides, showed in the microstructure evidences of macrosegregation. The mathematical model results showed that the solidification took place under different conditions of solid-liquid interface velocities and temperature gradient in the experiments. The results from the mathematical model showed that convection plays an essential role in the macrosegregation phenomena.

Orientador: Rubens Caram Junior / Dissertação (mestrado) - Universidade Estadual de Campinas, Faculdade de Engenharia Mecanica / Made available in DSpace on 2018-07-22T02:53:41Z (GMT). No. of bitstreams: 1 Chaves_RicardoRisso_M.pdf: 6259336 bytes, checksum: 8f28236a72aaf02db8ce4c16083702ab (MD5) Previous issue date: 1997 / Resumo: O processo de fusão zonal consiste na passagem de uma ou mais zonas líquidas através de uma barra do material a ser purificado. Como variáveis do processo, tem-se: velocidade de solidificação, gradiente térmico junto à interface sólido-líquido, convecção imposta ao líquido e tamanho da zona líquida. O presente trabalho tem como objetivo apresentar uma solução à baixa produtividade dos métodos de purificação baseados na teoria de solidificação. Inicialmente, o método aqui proposto foi analisado através de sua simulação numérica e de experimentos utilizando ligas de SnPb. As amostras processadas foram caracterizadas pela técnica de espectrometria de absorção atômica. Finalmente, o método concebido foi aplicado à purificação de índio e por meio da técnica de espectrometria de emissão atômica, comprovou-se a viabilidade da técnica concebida. Os resultados obtidos indicam que o método aqui descrito tem maior produtividade que os métodos de fusão zonal tradicionais / Abstract: The zone refining process consists of the movement of one or more melted zones along the bar of the material which purification is desired. This purification process presents as variables: solidification rate, thermal gradient in front of the solid/liquid interface, convection imposed to the liquid and relative size of melted zone. The present work aims to introduce a solution to the problem of low production rate of the purification methods based on the solidification theory. Firstly, the proposed method was investigated by using numerical simulation. In addition, in order to evaluate the performance of this new version of the zone melt technique. an experimental apparatus was examined by the processing of a SnPb alloy. Atomic absorption spectroscopy was used to determine the chemical composition of the samples. Finally, this purification method was used to purify indium, which was characterized by using atomic emission spectrometry analysis. The results obtained show that the method described in this work has better performance than regular zone refining methods / Mestrado / Materiais / Mestre em Engenharia Mecânica

Novas rotas para obtenção de silício grau solar a partir de silício grau metalúrgico estão em desenvolvimento e a solidificação direcional é uma etapa presente em todos os processos propostos. O refino de silício por solidificação direcional baseia-se no fenômeno de macrossegregação das impurezas. Experimentos de solidificação direcional transiente foram realizados em condições estáticas utilizando um equipamento projetado no âmbito desse trabalho. A partir de um experimento de referência, foram avaliadas as influências da alteração do material da base do cadinho, altura do lingote e condição de resfriamento do forno. Para estudo das condições de solidificação e dos mecanismos envolvidos no fenômeno de macrossegregação de solutos foi proposto e implementado um modelo matemático. Esse modelo considera as equações gerais de transporte no caso unidirecional e o transporte de espécies químicas por difusão macroscópica e convecção. A convecção foi tratada a luz da teoria da camada estagnada a frente da interface sólido-líquido. Variáveis como velocidade da interface sólido-líquido, gradiente de temperatura, perfis de concentração de soluto e de fração de sólido foram obtidos com o modelo matemático utilizando as temperaturas medidas no silício durante os experimentos de solidificação como condições de contorno do modelo. Os resultados experimentais mostraram que sob algumas condições foram obtidos lingotes com macroestrutura típica de solidificação unidirecional e, além disso, as microestruturas mostraram evidências de macrossegregação de solutos. Os resultados do modelo matemático mostraram que a solidificação ocorreu em diferentes condições de velocidade da interface sólido-líquido e gradiente de temperatura nos experimentos. Os resultados obtidos com a utilização do modelo matemático mostraram que a convecção teve papel fundamental no fenômeno de macrossegregação de solutos. / New process routes are under development to obtain solar grade silicon from metallurgical grade one, and the directional solidification is an essential step in all proposed process routes. The silicon refining by directional solidification is based on the impurities macrosegregation phenomena. Transient solidification experiments were conducted under a static condition in a furnace projected for this work. From a reference experiment it was analyzed the effects of the changing the material of the crucible base, the ingot height and the cooling condition of the furnace. A mathematical model was proposed and implemented in order to study the solidification conditions and the main mechanisms regarding the macrosegregation phenomena. The mathematical model considers the conservation equations in one direction and the transport of chemical species occurs by diffusion and convection. The convection was treated using the diffusion layer theory. The velocity of solid-liquid interface, temperature gradient and profiles of solute concentration and solid fraction were obtained using the temperatures on silicon during the solidification experiments as boundaries conditions of the model. The experimental results showed that under some conditions it was obtained ingots with typical unidirectional macrostructure and, besides, showed in the microstructure evidences of macrosegregation. The mathematical model results showed that the solidification took place under different conditions of solid-liquid interface velocities and temperature gradient in the experiments. The results from the mathematical model showed that convection plays an essential role in the macrosegregation phenomena.

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