In the field of metal casting, solute composition inhomogeneities at the macroscale are called macrosegregation, and the transition from the elongated grains in the outer portions of a casting to the more rounded grains in the center is termed Columnar to Equiaxed Transition (CET). Simultaneous prediction of macrosegregation and CET is still an important challenge in the field. One of the open questions is the role of melt convection on the CET and the effect of the CET on macrosegregation. A three-phase macroscale model for macrosegregation and CET was developed. The model accounts for numerous phenomena such as columnar dendrite tip undercooling, undercooling behind the columnar tips, and nucleation of equiaxed grains. This three-phase model was used to develop a less complex model that consists of two phases only and disregards undercooling behind the columnar tips and nucleation of equiaxed grains. An in-house parallel computing code on the OpenFOAM platform was developed to solve the equations of these models. The models were used to perform columnar solidification simulations of a numerical benchmark problem. It was found that the predictions of these models are nearly identical. It was also found that the dendrite tip selection parameter, which appears in the constitutive relation for the dendrite tip velocity, plays a key role in these models. With a realistic value for this parameter these models account for columnar dendrite tip undercooling, but as its value is increased in the simulations, predictions of these models converge to predictions of a model that neglects undercooling. Next, the three-phase model was used to perform CET simulations in the numerical solidification benchmark problem in the presence of melt convection. It was found that accounting for stationary equiaxed grains does not change the overall macrosegregation pattern nor the form of channel segregates. Finally, for the first time in the field of solidification, we developed accurate constitutive relations for macroscale solidification models that are based on a formal mesoscale analysis on the scale of a representative elementary volume that is used in developing volume-averaged macroscale models. This upscaling enabled us to present relations that incorporate changes in the shape of grains and solute diffusion conditions around them during growth. The models and constitutive relations we developed can now be used to predict critical phenomena such as macrosegregation, channel segregates, and CET in castings.

Yes / Resistance spot welding of aluminum (Al5754) to magnesium (AZ31B) alloys results in the formation of a variety of solidification microstructures and intermetallic compounds that may affect the in-service performance of the weld. This study evaluates the relationship between the welding parameters and the properties of the weld nugget that is formed, and clarifies the morphological and microstructural evolutions within the weld regions during the low-current “small-scale” resistance spot welding of Al5754 to AZ31B. The investigations included a combination of microstructural characterization and thermodynamic analysis of the weld region. The results show that the welding time and clamping force parameters have significant effects on the properties of the nugget formed. The optimal welding parameters were found to be 300 ms welding time and 800 N clamping force. Weld nuggets formed with lower welding time and clamping force were undersized and contained extensive porosity. Meanwhile, a clamping force above 800 N caused gross deformation of the test samples and the expulsion of the molten metal during the welding process. The most significant microstructural changes occurred at the weld/base metal interfaces due to the formation of Al17Mg12 and MgAl2O4 intermetallic compounds as well as significant compositional variation across the weld pool. The thermal gradient across the weld pool facilitated the formation of several microstructural transitions between equiaxed and columnar dendrites.

Melt convection and solid phase movement play an important role in solidification processes, which significantly influence the formation of grain structures and solute segregations. In general, the melt convection and grain movement are a result of buoyancy forces. The densities within melt are different due to the variation of temperature and concentration, leading to thermally and solutally driven melt convection. Similarly, the density differences between the grains and the bulk melt cause the grain movement, leading to solid sedimentation or grain floating, as the case may be. Free, unattached solid grains are produced by partial remelting and fragmentation of dendrites, by mechanical disturbances such as stirring or vibration and by heterogeneous nucleation of grains in solidification of grain-refined alloys. In this way, movement of solid crystals during solidification can be ascertained in the following two cases. In the first case, during columnar solidification of non-grain-refined alloys, solid movement is possible in the form of dendrite fragments detached from the columnar stalks by the process of remelting and fragmentation. Movement of grains during columnar solidification gives rise to altogether different microstructure from columnar to equiaxed. In the second case, during equiaxed solidification of grain-refined alloys, the movement of solid crystals is possible in the form of equiaxed dendrite crystals nucleated due to presence of grain refiners. The rate and manner by which the free solids settle (or float) will influence macrosegregation in metal castings. Control of the solidification process is possible through an understanding of the solid movement and its effect on macrosegregation and microstructure. With this viewpoint, the overall objective of the present thesis is to study, experimentally and numerically, the phenomenon of solid phase movement during solidification. Through this study, deeper insights of the role of solid phase movement in solidification are developed which can be used for possible control of quality in castings. Both columnar and equiaxed solidification are considered. Models for transport phenomena associated with columnar solidification with solid phase movement are rarely found in the literature, because of inherent difficulty associated with consideration of microscopic features such as remelting and fragmentation. To tackle this problem, solidification modules for remelting and fragmentation are developed first, followed by integration of these molecules in a macroscopic solidification model. A Rayleigh number based fragmentation criterion is developed for detachment of dendrite fragments from the developing mushy zone, which determines the conditions favorable for fragmentation of dendrites. The criterion developed is a function of net concentration difference, liquid fraction, permeability, growth rate of mushy layer, and thermophysical properties of the material. The effect of various solidification parameters on fragmentation is highlighted. The integrated continuum model developed is applied to stimulate the solidification of aqua-ammonia system in a side-cooled rectangular cavity. The numerical results are in good qualitative agreement with those of experiments reported in literature. A gentle ramp of the mushy zone due to settling of solid crystals, as also noticed in experimental literature, is observed towards the bottom of the cavity. The influence of various modeling parameters on solid phase movement and resulting macrosegregation is investigated through a parametric study. Movement of grains during columnar solidification gives rise to altogether different microstructure and sometimes may initiate a morphological transition of the microstructure from columnar to equiaxed if the number and size of equiaxed grains ahead of the columnar front become sufficient to arrest the columnar growth. The generalised model developed, considering solid phase movement during columnar solidification is used to predict columnar-to-equiaxed transition (CET) based on a prescribed cooling rate criterion. It is found that presence of convection significantly affects the solidification behaviour. Moreover, the movement of dendrite fragments and their accumulation at the columnar front further trigger the occurrence of CET. Cooling configuration, too significantly affects the nature of CET. In unidirectional solidification cases, the locations of CET are found to be in a plane parallel to the chill face. However, for the case of the non-unidirectional solidification (as in side-cooled cavity), the locations of CET need not be in a plane parallel to the chill face. In contrast to fixed columnar solidification, equiaxed solidification is poorly understood; in particular, the phenomena associated with solid crystal movement. Movement of unattached solid crystals, formed due to heterogeneous nucleation on grain-refiners, is induced by the convective currents as well as by buoyancy effects, causing the solid to sediment or to float, depending on density of solid compared to that of the bulk melt. While moving in the bulk melt these crystals can also remelt or grow. A series of casting experiments with AI-based alloys are performed to investigate the role and influence of movement of solid crystals on macrosegregation and microstructure evolution during equiaxed solidification. Controlled experiments are designed for studying, separately, settling and floatation of equiaxed crystals for different cooling conditions and configurations. Further, these experiments are carried out in convective and non-convective cases to understand the effect of convection on solid phase movement. Temperature measurements are performed at various locations in the mould during the experiments. After the cavity is solidified, microstructural and chemical analyses of the experimental samples are carried out, several notable features are observed in temperature histories, macrosegregation pattern, and microstructures due to settling/flotation phenomenon of solid crystals. It is found that the flow behavior of solid grains has a profound influence on the progress of solidification (in terms of grain size distribution and fraction eutectic) and macrosegregation distribution. In some cases, the induced flow due to solid phase movement can cause a flow reversal. The observations and quantitative data obtained from experiments, with the help of detailed solidification conditions provided, can be used for future validations of models for equiaxed solidification. Subsequently, numerical studies are carried out, using a modified version of the macroscopic model developed for columnar solidification with motion of solid crystals, to predict the transport phenomena during equiaxed solidification. The model is applied to simulate the solidification processes corresponding to each of the experimental cases performed in this study. For a better understanding of the phenomenon of movement of solid crystals, the following two special cases of solidification are also presented: 1) without movement of solid crystals and 2) movement of solid crystals without any relative velocity between solid and liquid phases. The numerical predictions showing nature of flow field and progress of solidification are substantiated by the experimental data for the thermal analysis, qualitative microstructural Images and quantitative microstructural analysis. It is concluded, with the help of various experiments and simulations, that movement of solid crystals influences the casting quality appreciably, in terms of macrosegregation and microstructures. It is expected that the improved understanding of the role and influence of solid phase movement during solidification processes (both columnar and equiaxed) obtained through this thesis will be useful for possible control of quality of as-cast products.

Les coulées industrielles permettent de distinguer deux types de structures : colonnaires et équiaxes. La mise en place de ces structures a des conséquences importantes sur les autres hétérogénéités, particulièrement les macroségrégations chimiques. Le code SOLID, développé à l’Institut Jean Lamour, permet de décrire de manière couplée la convection naturelle du liquide ainsi que la germination, la croissance et le transport des grains équiaxes. Le travail présenté a pour but de proposer une modélisation de l’apparition et de la croissance des structures colonnaires couplées à celles des grains équiaxes, permettant ainsi de prédire la Transition Colonnaire-Equiaxe (TCE) et Equiaxe-Colonnaire (ECT). La particularité du modèle est de considérer la croissance couplée des structures uniquement au niveau des pointes primaires colonnaires car c’est à cet endroit que les gradients de soluté sont les plus importants. Après validation, le modèle est appliqué à des cas de coulées industrielles de lingots d’acier et comparé à des mesures expérimentales. Il en ressort en premier lieu que sans la modélisation du mouvement des grains équiaxes, les morphologies et les ségrégations de carbone prédites ne correspondent pas à l’expérience. Par la suite, on montre que les résultats obtenus dépendent fortement du scénario d’apparition des grains équiaxes. Une germination hétérogène volumique des grains équiaxes ne permet pas de prédire la TCE expérimentale. En revanche, la fragmentation des grains, associée à un critère pour le début de la fragmentation, prédit une TCE et des ségrégations en carbone en accord avec l’expérience. On montre alors que la masselotte des lingots peut ainsi être une source importante de grains / It is possible to distinguish two main types of structures in castings: columnar and equiaxed. The dynamic set up of these structures has a strong impact on other heterogeneities, especially the chemical macrosegregations. Developed at the Institut Jean Lamour, SOLID is a numerical code that accounts for natural convection as well as the germination, growth and transport of equiaxed grains. The purpose of this work is to model the appearance and the growth of the columnar structures coupled with the description of the equiaxed grains. The model can therefore predicts the Columnar-to-Equiaxed (CET) and Equiaxed-to Columnar (ECT) Transitions. The main characteristic of the model is to consider the coupled growth of both structures only in the zone near the tips of the primary columnar dendrites. It is indeed there that the strongest solute gradients are located. The model is verified by comparing it to experiments and other models of the literature. The model is then applied to the case of industrial steel ingots and compared to experimental measurements. The first result is that without taking into account the movement of the equiaxed grain the results for equiaxed grain morphology and for macrosegregation do not agree with the measurements. Next, we find that the phenomenon considered for equiaxed grain formation is decisive for the CET prediction. When heterogeneous volumic nucleation is considered, we were not able to predict the CET correctly. However, when fragmentation at the columnar front is considered – along with a criterion for the onset of fragmentation – the results agree quite well with the experiments. It is also shown that the hot-top of ingots is consequently an important source of equiaxed grains

Magnesium alloys have been extensively used for structural and functional applications due to their low densities. In order to improve the mechanical properties, grain refinement of the microstructures of magnesium alloys has been studied for many years. However, an effective and efficient grain refiner or refinement technique hasn’t been achieved yet, especially for those with aluminium contained. In this study, solution for this problem has been discovered through further understanding of the solidification process, including the potency and the efficiency of nucleation particles, the role of solute, and the role of casting conditions. First of all, the study suggested that MgO particles can act as nuclei in magnesium alloys by measuring and analyzing the differences in cooling curves with various amount of endogenous MgO particles. The differences indicated that the number density of MgO particles has a huge influence on the microstructure. This idea has been fatherly proved by the inoculation of MgO particles in magnesium alloys because the microstructures have been significantly refined after the inoculation. A new kind of refiner (AZ91D-5wt%MgO) has been developed based on such understandings. Secondly, the study discovered that the role of solute has much smaller effect on the grain size than it was suggested in traditional understandings. The inverse-proportional relationship between the grain size and the solute is highly suspected and the major role of solute is to cause columnar- equiaxed transition. The role of casting conditions has also been studied in order to provide experimental evidence for the existence of melt quenching effect in magnesium alloys. It is shown that various casting conditions, such as pouring temperatures and mould temperatures, have large influence on the critical heat balance temperature after rapid pouring. In this study, a theoretical model based on the analysis of cooling curves is presented for grain size prediction. An analytical model of the advance of equiaxed solidification front is developed based on the understanding of the role of casting conditions. Eventually, all these understandings have been applied to magnesium direct-chill (DC) casting. The refined microstructure of DC cast ingots can further assist in understanding the mechanism of advanced shearing achieved by MCAST unit. The comparison of the ingots with and without melt shearing indicated that the advance shearing device can disperse MgO film into individual particles.

Um modelo matemático multifásico para a solidificação equiaxial de ligas binárias capaz de prever o efeito de taxa de resfriamento e da concentração de soluto no tamanho médio final de grãos foi proposto no presente trabalho. O modelo matemático foi desenvolvido através do conceito de envelope envolvendo os grãos, utilizando as equações de conservação de energia, massa e espécies químicas. O modelo de nucleação utilizado possibilita que novos núcleos possam surgir durante todo o período de resfriamento. As equações diferenciais foram obtidas através de uma média volumétrica das equações de conservação em um volume elementar representativo contendo três \"pseudofases\": sólido, líquido interdendrítico e líquido extradendrítico. O efeito de algumas variáveis de processamento sobre o tamanho médio final de grão foi analisado. Os resultados do modelo proposto foram comparados com resultados de alguns modelos disponíveis na literatura. / A multiphase mathematical model for the equiaxed solidification of binary alloys was proposed in the present work to predict the effects of the cooling rate and the average solute concentration on the final average grain size. The mathematical model was based on the concept of the grain envelope and on the conservation of energy, mass and chemical species. A nucleation model was adopted to consider the nucleation of new grains during the whole solidification time. The differential equations were derived from the volume average of conservation equations within a representative elementary volume that consisted of three pseudophases: solid, interdendritic liquid, and extradendritic liquid. The effect of some processing variables on the final average grain size was studied. The results from the proposed model were compared with those available in the literature from other models.

Um modelo matemático multifásico para a solidificação equiaxial de ligas binárias capaz de prever o efeito de taxa de resfriamento e da concentração de soluto no tamanho médio final de grãos foi proposto no presente trabalho. O modelo matemático foi desenvolvido através do conceito de envelope envolvendo os grãos, utilizando as equações de conservação de energia, massa e espécies químicas. O modelo de nucleação utilizado possibilita que novos núcleos possam surgir durante todo o período de resfriamento. As equações diferenciais foram obtidas através de uma média volumétrica das equações de conservação em um volume elementar representativo contendo três \"pseudofases\": sólido, líquido interdendrítico e líquido extradendrítico. O efeito de algumas variáveis de processamento sobre o tamanho médio final de grão foi analisado. Os resultados do modelo proposto foram comparados com resultados de alguns modelos disponíveis na literatura. / A multiphase mathematical model for the equiaxed solidification of binary alloys was proposed in the present work to predict the effects of the cooling rate and the average solute concentration on the final average grain size. The mathematical model was based on the concept of the grain envelope and on the conservation of energy, mass and chemical species. A nucleation model was adopted to consider the nucleation of new grains during the whole solidification time. The differential equations were derived from the volume average of conservation equations within a representative elementary volume that consisted of three pseudophases: solid, interdendritic liquid, and extradendritic liquid. The effect of some processing variables on the final average grain size was studied. The results from the proposed model were compared with those available in the literature from other models.

Measurements are carried out for dendrite tip growth of succinonitrile-acetone alloys solidifying freely in an undercooled melt. The current experimental investigation is conducted using the equiaxed dendritic solidification experiment (EDSE). This setup allows for precise measurements of the dendrite tip velocity, radius and shape for a range of undercoolings and solute concentrations. The collected data are compared to available theories of free dendritic growth, such as the Lipton-Glicksman-Kurz and Li-Beckermann models. It is found that for dilute succinonitrile-acetone alloys, the measured dendrite tip Péclet numbers agree well with previous theories of free dendritic growth, if the effects of melt convection are taken into account. The tip selection parameter deviates significantly from the pure succinonitrile value and is inversely related to the applied undercooling. Besides, the selection parameter shows no dependence on the solute concentration. These results are consistent with phase-field simulations and preceding experimental investigations. In addition, scaling relationships for the sidebranching shape were obtained in terms of the dendritic envelope, projection area and contour length. These new scaling relations agree well with previous measurements in pure succinonitrile dendrites by Li and Beckermann.

Ferritic stainless steel is typically used in the automotive industry to fabricate welded tube that is plastically deformed for flanging, bending and necking. The effect of welding parameters during autogenous gastungsten arc welding (GTAW) of thin sheet on the weld metal structure and tensile properties were determined. Two grades of ferritic stainless steels, a titanium-containing Grade 441 and a titanium-free molybdenum-containing Grade 436, were used as base metal. Statistical analysis was used to determine the influence of welding parameters on the microstructure of autogenous GTAW welds. The results of Grade 441 indicated that the welding speed and peak welding current had a statistically significant influence on the amount of equiaxed grains that formed. For Grade 436, the same welding parameters (welding speed and peak welding current) had a statistically significant influence on the grain size of the weld metal grains. The ductility of a tensile test coupon machined parallel to the weld direction, for both base metal grades, was unaffected by the welding parameters or the weld metal microstructure. The elongation was determined by the amount of weld metal in the gauge area of a tensile coupon. The titanium content of the base material seems to have the most significant effect on the formation of equiaxed grains. / Dissertation (MEng)--University of Pretoria, 2019. / Materials Science and Metallurgical Engineering / MEng / Unrestricted

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