During solidification of non-eutectic alloys, non-isothermal phase change causes dendritic growth of solid front with liquid phase entrapped within the dendritic network producing the mushy region. Solidification causes rejection of solute at the solid-liquid interface and within the mushy zone, causing a sharp concentration gradient to build up across the mushy region. At the same time, a temperature gradient is present as a result of externally imposed boundary conditions as well as due to evolution of latent heat, giving rise to the so-called “double-diffusive” or thermo-solutal convection. Depending on the relative density of the solute being rejected in the liquid phase during solidification process, thermal and solutal buoyancy can either aid or oppose each other. Rejection of a heavier solute leads to aiding thermo-solutal convection situation whereas the rejection of lighter solute causes the thermal and solutal buoyancy to oppose each other. If the thermal and solutal buoyancies oppose each other, flow instability arises adjacent to the mush-bulk liquid interface regions. Thus, there may be a wide variety of convection situations present in the solidifying domain for different combinations of solution concentrations and externally imposed boundary conditions. The situation becomes even more complex if the solid phase movement along with the bulk flow is involved in the process, leading to multiphase convection. Detachment of solid phase from the solid/liquid interface can be caused by remelting (solutal and/or thermal) and shearing action of a convecting liquid adjacent to the interface. Depending on the drag of the bulk flow and the density of the solid phase relative to that of the bulk liquid, these detached particles can either float or sediment. The redistribution of the rejected solute by means of diffusion (at a local scale) and thermo-solutal convection (at system level length scales) causes heterogeneous orientation of mixture constituents over the solidifying domain popularly known as macro-segregation. From the point of view of manufacturing, severe form of macro-segregation or heterogeneous species distribution is an undesirable phenomenon and hence, a thorough understanding of the species redistribution by means of diffusion and convection during solidification process is very important. Most of the earlier studies on double diffusive convection during solidification involved fixed dendrites. However, the advection of solid particles during the solidification process can generate major instability in the flow pattern while modifying the solid front growth, and hence the macro-segregation pattern considerably. With this viewpoint in mind, the overall objective of the present work is to address these wide-varieties of single phase and multi phase flow situations and their effect on solid front growth and macro-segregation during directional solidification of non-eutectic binary alloys, numerically as well as experimentally. Different configurations of directional solidification processes involving double diffusive convection have been studied for two different kinds of non-eutectic solutions. While solidification of hypoeutectic solutions leads to aiding type double diffusive convection, the solidification of hyper-eutectic solutions is characterized by opposing type double diffusive convection. Solidification of hypo-eutectic solution generally involves single phase flow, while most of the hyper-eutectic solidification involves movement of solid phase (i.e. multiphase flow). As far as the modeling part is concerned, transport phenomena during solidification with multiphase convection are not common in existing literature. This work is a first attempt to develop a solidification model with multiphase flow based entirely on macroscopic parameters. As a first step, a generalized macroscopic framework has been developed for mathematical modeling of multiphase flow during solidification of binary alloy systems. The complete set of equivalent single-domain governing equations (mass, momentum, energy and species conservation) are coupled with the phase (solid and liquid) velocities. A generalized algorithm has been developed to determine solid detachment and solid advection phenomena, based on two critical parameters, namely: critical solid fraction and critical velocity. While the first of these two parameters (critical solid fraction) represents the strength of the dendritic bond, the second (critical velocity) stands for the intensity of flow to create drag force and solutal remelting at the dendrite roots. A new approach for evaluating liquid/solid fraction by using fixed grid enthalpy updating scheme, that accounts for multiphase flow and, at the same time, handles equilibrium and non equilibrium solidification mechanisms, has been proposed. The newly developed model has been validated with existing literatures as well as with experimental observations performed in the present work. The experimental results were obtained by using PIV as well as laser scattering techniques. Side cooled as well as top cooled configurations are studied. Single phase convection is observed for the case of hypo-eutectic solution, whereas hyper-eutectic solutions involve convection with movement of solid phase. For the case of bottom cooled hyper-eutectic solution, finger-like convection leading to freckle formation is observed. For all the hyper-eutectic cases, solid phase movement is found to alter the convection pattern and final macrosegregation significantly. The numerical results are compared with experimental observations both qualitatively as well as quantitatively.

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As propriedades das peças produzidas por fundição dependem principalmente da macroestrutura final de grãos. A modelagem matemática da solidificação de ligas metálicas com o objetivo de prever a macroestrutura de grãos sofreu avanços muito importantes nas últimas décadas, porém os modelos matemáticos chamados de determinísticos até hoje não são capazes de modelar o crescimento individual dos grãos durante todos os estágios da solidificação. O objetivo do presente trabalho é desenvolver um modelo matemático multifásico e multigrãos capaz de simular a solidificação equiaxial de ligas binárias. As equações deste modelo foram construídas com base nas equações macroscópicas de conservação de massa, energia e espécies químicas. A característica que distingue o modelo implementado neste trabalho de outros modelos publicados na literatura é a consideração individual de grãos de diferentes tamanhos e a consideração do crescimento dendrítico ou globulítico. As equações macroscópicas de conservação de massa, energia e espécies químicas são resolvidas separadamente para cada classe de tamanhos de grão. Os resultados obtidos pelo presente modelo foram comparados com um modelo que considera os grãos individualmente, mas que só é capaz de simular os instantes iniciais da solidificação, em que a morfologia dos grãos é globulítica. Posteriormente foi realizada uma comparação com um modelo de solidificação equiaxial com muitas características semelhantes às do presente modelo, mas que não considera individualmente grãos de diferentes tamanhos. Foi realizada uma análise paramétrica do presente modelo, que posteriormente foi utilizado para tentar reproduzir resultados obtidos experimentalmente por diversos autores. Os resultados obtidos mostram que o modelo matemático proposto é capaz de simular todo o período de solidificação, incluindo a solidificação dendrítica ou globulítica, monitorando individualmente o crescimento de grãos com tamanhos diferentes. Os resultados obtidos pelo modelo implementado no presente trabalho reproduzem quase que exatamente as curvas de resfriamento e a previsão de tamanho de grão médio obtidas por um modelo que considera os grãos apenas de forma média. O modelo desenvolvido apresentou resultados próximos aos resultados experimentais para a previsão do tamanho de grão médio e para a distribuição de tamanhos de grão final em uma amostra de alumínio comercialmente puro inoculado com Al- 5%Ti-1%B. / Properties of components obtained by solidification processes depend strongly on the final grain structure. In the past few decades, there has been a significant breakthrough in the mathematical modeling of metallic alloy solidification to predict the grain macrostructure. Nevertheless, the so-called deterministic models are still not capable of modeling the individual growth of grains throughout the solidification time. The objective of the present work it to propose, implement, and evaluate a multiphase and multigrain mathematical model of equiaxed solidification in binary alloys. The equations of the model are based on the macroscopic conservation equations of mass, energy, and chemical species. The main feature that distinguishes the present model from other models available in the literature is the consideration of the growth of individual grains of different sizes, and of the dendritic or globulitic growth. The macroscopic conservation equations of mass, energy, and chemical species were applied separately to each class of grains of different sizes. The results obtained from the present model were compared with those from a model that also simulates the individual growth of grains, but was developed only for the early stages of solidification, during which there is globulitic growth. Next, the results were compared with those from a similar model, but which does not consider the individual growth of grains, following only a grain of average size. A parametric analysis was carried out with the present model, which was later used to simulate different experiments presented by several authors. The model was capable of simulating several phenomena, including the globulitic and dendritic growth for each class of grain, during the whole solidification time. The results obtained with the present model reproduce very accurately the cooling curves and the prediction of grain size obtained from a model that considers only a grain of average size. The present model results are in close agreement with measurements of average grain size and grain size distribution in an commercially pure Al with different additions of Al-5%Ti-1%B.

Thesis. 1978. Ph.D.--Massachusetts Institute of Technology. Dept. of Materials Science and Engineering. / MICROFICHE COPY AVAILABLE IN ARCHIVES AND SCIENCE. / Vita. / Includes bibliographical references. / Ph.D.

Nan Gang Ma. / "October 2003." / Thesis (Ph.D.)--Chinese University of Hong Kong, 2003. / Includes bibliographical references. / Electronic reproduction. Hong Kong : Chinese University of Hong Kong, [2012] System requirements: Adobe Acrobat Reader. Available via World Wide Web. / Mode of access: World Wide Web. / Abstracts in English and Chinese. / Nan Gang Ma.

Thesis (M. Sc.)(Metallurgical Engineering)--University of Pretoria, 2003. / Summaries in Afrikaans and English. Includes bibliographical references. Available on the Internet via the World Wide Web.

We use molecular dynamics to simulate the rapid directional solidification of binary alloy solid-liquid interface in the non-equilibrium state. In the pulling fixed velocities, we report the temperature, density, and diffusion coefficient of the interface. In cooling fast, controlling the velocities of solidification for the important parameter of this text¡Ait produces different changes that velocity value will be affected by atom potential energy and system temperature and density¡Athough the system is pulling a fixed velocities, that the speed of every atom of the system is all not constant .The velocity will be changed into the driving force that the solute will be separated and trapped. In the segregation regime, we recover the exponential form of the concentration profile within the liquid phase. Solute trapping is shown to settle in progressively as V is increased or reduction and our results are in good agreement with the theoretical predictions of Aziz.

Fe(II)-based degradative solidification/stabilization (Fe(II)-DS/S) technology is the modification of conventional solidification/stabilization (S/S). Inorganic pollutants are immobilized by Fe(II)-DS/S while organic pollutants are destroyed. Experimental studies were conducted to identify the active agents for Tetrachloroethylene (PCE) degradation as well as the conditions that enhance the formation of the active agents in the Fe(II)-DS/S system. PCE was chosen as a model chlorinated aliphatic hydrocarbon in this study. First, the conditions that lead to maximizing production of the active agents were identified by measuring the ability of various chemical mixtures to degrade PCE. Results showed that Fe(II), Fe(III), Ca, and Cl were the the important elements that affect degradation activity. Elemental compositions of the mixtures and the conditions affecting solid formation might be the important factors in determining how active solids are formed. Second, instrumental analyses (XRD, SEM, SEM-EDS) were used to identify minerals in chemical mixtures that have high activities. Results indicate that active agents for PCE degradation in Portland cement slurries and in cement extracts might be one of several AFm phases. However, systems without cement did not form the same solids as those with cement or cement extract. Ferrous hydroxide was identified as a major solid phase formed in systems without cement. Finally, the effect of using different types of ordinary Portland cement (OPC) on PCE degradation rate during Fe(II)-DS/S was examined and the solids were examined by instrumental analyses (XRD, SEM, SEM-EDS). Four different OPC (Txi, Lehigh, Quikrete, and Capitol) showed different PCE degradation behaviors. Pseudo first-order kinetics was observed for Capitol and Txi OPC and second-order kinetics was observed for Quikrete. In the case of Lehigh cement, pseudo first-order kinetics was observed in cement slurry and second-order kinetics in cement extract. Calcium aluminum hydroxide hydrates dominated solids made with Txi, Quikrete, and Lehigh cements and Friedel’s salt was the major phase found in solids made with Capitol cements. Fe tended to be associated with hexagonal thin plate particles, which were supposed to be a LDH.

Thesis (Ph. D.)--University of Washington, 1991. / Vita. Includes bibliographical references (leaves [117]-123).

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