Este é o primeiro trabalho que apresenta simulações tridimensionais completamente adaptativas de um modelo de campo de fase para um fluido incompressível com densidade de massa constante e viscosidade variável, conhecido como Modelo H. Solucionando numericamente as equações desse modelo em malhas refinadas localmente com a técnica AMR, simulamos computacionalmente escoamentos bifásicos tridimensionais. Os modelos de campo de fase oferecem uma aproximação física sistemática para investigar fenômenos que envolvem sistemas multifásicos complexos, tais como fluidos com camadas de mistura, a separação de fases sob forças de cisalhamento e a evolução de micro-estruturas durante processos de solidificação. Como as interfaces são substituídas por delgadas regiões de transição (interfaces difusivas), as simulações de campo de fase requerem muita resolução nessas regiões para capturar corretamente a física do problema em estudo. Porém essa não é uma tarefa fácil de ser executada numericamente. As equações que caracterizam o modelo de campo de fase contêm derivadas de ordem elevada e intrincados termos não lineares, o que exige uma estratégia numérica eficiente capaz de fornecer precisão tanto no tempo quanto no espaço, especialmente em três dimensões. Para obter a resolução exigida no tempo, usamos uma discretização semi-implícita de segunda ordem para solucionar as equações acopladas de Cahn-Hilliard e Navier-Stokes (Modelo H). Para resolver adequadamente as escalas físicas relevantes no espaço, utilizamos malhas refinadas localmente que se adaptam dinamicamente para recobrir as regiões de interesse do escoamento, como por exemplo, as vizinhanças das interfaces do fluido. Demonstramos a eficiência e a robustez de nossa metodologia com simulações que incluem a separação dos componentes de uma mistura bifásica, a deformação de gotas sob cisalhamento e as instabilidades de Kelvin-Helmholtz. / This is the first work that introduces 3D fully adaptive simulations for a phase field model of an incompressible fluid with matched densities and variable viscosity, known as Model H. Solving numerically the equations of this model in meshes locally refined with AMR technique, we simulate computationally tridimensional two-phase flows. Phase field models offer a systematic physical approach to investigate complex multiphase systems phenomena such as fluid mixing layers, phase separation under shear and microstructure evolution during solidification processes. As interfaces are replaced by thin transition regions (diffuse interfaces), phase field simulations need great resolution in these regions to capture correctly the physics of the studied problem. However, this is not an easy task to do numerically. Phase field model equations have high order derivatives and intricate nonlinear terms, which require an efficient numerical strategy that can achieve accuracy both in time and in space, especially in three dimensions. To obtain the required resolution in time, we employ a semi-implicit second order discretization scheme to solve the coupled Cahn-Hilliard/Navier-Stokes equations (Model H). To resolve adequatly the relevant physical scales in space, we use locally refined meshes which adapt dynamically to cover special flow regions, e.g., the vicinity of the fluid interfaces. We demonstrate the efficiency and robustness of our methodology with simulations that include spinodal decomposition, the deformation of drops under shear and Kelvin-Helmholtz instabilities.

Submitted by ANA KARLA PEREIRA RODRIGUES (anakarla_@hotmail.com) on 2017-08-23T16:00:02Z No. of bitstreams: 1 arquivototal.pdf: 9090532 bytes, checksum: d4fefb1d97e9c6d585d5d18a33abf752 (MD5) / Made available in DSpace on 2017-08-23T16:00:02Z (GMT). No. of bitstreams: 1 arquivototal.pdf: 9090532 bytes, checksum: d4fefb1d97e9c6d585d5d18a33abf752 (MD5) Previous issue date: 2016-11-30 / Coordenação de Aperfeiçoamento de Pessoal de Nível Superior - CAPES / In this thesis we study controllability results, asymptotic behavior and inverse problem related to some problems of the theory of partial di erential equations. Two particular systems are the focus of the study: the Mindin-Timoshenko system, describing the vibrational motion of a plate or a beam, and the phase eld system describing the temperature and phase of a medium having two distinct physical states. The rst chapter is devoted to the study of the 1-D Mindlin-Timoshenko system with discontinuous coe cient. A Carleman inequality is obtained under the assumption of monotonicity on the beam speed. Subsequently, two applications are provided: the controllability of the control system acting on the boundary and Lipschitzian stability of the inverse problem of recovering a potential from a single measurement of the solution. In the second chapter we consider a contact problem characterized by the behavior of a two-dimensional plate whose board makes contact with a rigid obstacle. The formulation of this problem is presented by the 2-D Mindlin-Timoshenko system with boundary conditions and suitable damping terms. Concerning such system, is proved via penalty techniques, the existence of solution and that the system energy has exponential decay when the time approaches in nity. In the third chapter, the study is aimed at a nonlinear phase- eld system de ned in a real open interval. Here we present some controllability results when a single control acts, by means of Dirichlet conditions, on the temperature equation of the system on one of the endpoints of the interval. To prove the results is used the method of moments, plus a spectral study of operators associated to the system and xed point theory to deal with the nonlinearity. / Nesta tese estudamos resultados de controlabilidade, comportamento assintótico e problema inverso relacionados a alguns problemas da teoria de equações diferenciais parciais. Dois sistemas particulares são foco do estudo: o sistema de Mindin-Timoshenko, que descreve o movimento vibratório de uma placa ou viga, e o sistema de campo de fases que descreve a temperatura e a fase de um meio onde ocorrem dois estados físicos distintos. O primeiro capítulo é dedicado ao estudo do sistema de Mindlin-Timoshenko 1-D com coe ciente descontínuos. Uma desigualdade de Carleman é obtida sob a hipótese de monotonicidade sobre velocidade da viga. Posteriormente, são fornecidas duas aplicações: a controlabilidade do sistema com controles agindo na fronteira e a estabilidade Lipschitziana do problema inverso de recuperar um potencial através de uma única informação obtida sobre a solução. No segundo capítulo consideramos um problema de contato caracterizado pelo comportamento de uma placa bidimensional cujo bordo faz contato com um obstáculo rígido. A formulação deste problema é apresentada pelo sistema de Mindlin-Timoshenko 2-D com condi ções de fronteira e termos de amortecimento (damping) adequados. Sobre tal sistema, é provada, através de técnicas de penalização, a existência de solução e, posteriormente, que sua energia possui decaimento exponencial quando o tempo tende ao in nito. No terceiro capítulo o estudo é voltado a um sistema de campo de fases não-linear de nido em um intervalo aberto real. Neste espaço apresentamos alguns resultados de controlabilidade quando um único controle age, sob condições de Dirichlet, na equação da temperatura em um dos bordos do intervalo. Para provar os resultados é utilizado o método dos momentos, além de uma estudo espectral de operadores associados ao sistema e teoria de ponto xo para lidar com a não-linearidade.

Este é o primeiro trabalho que apresenta simulações tridimensionais completamente adaptativas de um modelo de campo de fase para um fluido incompressível com densidade de massa constante e viscosidade variável, conhecido como Modelo H. Solucionando numericamente as equações desse modelo em malhas refinadas localmente com a técnica AMR, simulamos computacionalmente escoamentos bifásicos tridimensionais. Os modelos de campo de fase oferecem uma aproximação física sistemática para investigar fenômenos que envolvem sistemas multifásicos complexos, tais como fluidos com camadas de mistura, a separação de fases sob forças de cisalhamento e a evolução de micro-estruturas durante processos de solidificação. Como as interfaces são substituídas por delgadas regiões de transição (interfaces difusivas), as simulações de campo de fase requerem muita resolução nessas regiões para capturar corretamente a física do problema em estudo. Porém essa não é uma tarefa fácil de ser executada numericamente. As equações que caracterizam o modelo de campo de fase contêm derivadas de ordem elevada e intrincados termos não lineares, o que exige uma estratégia numérica eficiente capaz de fornecer precisão tanto no tempo quanto no espaço, especialmente em três dimensões. Para obter a resolução exigida no tempo, usamos uma discretização semi-implícita de segunda ordem para solucionar as equações acopladas de Cahn-Hilliard e Navier-Stokes (Modelo H). Para resolver adequadamente as escalas físicas relevantes no espaço, utilizamos malhas refinadas localmente que se adaptam dinamicamente para recobrir as regiões de interesse do escoamento, como por exemplo, as vizinhanças das interfaces do fluido. Demonstramos a eficiência e a robustez de nossa metodologia com simulações que incluem a separação dos componentes de uma mistura bifásica, a deformação de gotas sob cisalhamento e as instabilidades de Kelvin-Helmholtz. / This is the first work that introduces 3D fully adaptive simulations for a phase field model of an incompressible fluid with matched densities and variable viscosity, known as Model H. Solving numerically the equations of this model in meshes locally refined with AMR technique, we simulate computationally tridimensional two-phase flows. Phase field models offer a systematic physical approach to investigate complex multiphase systems phenomena such as fluid mixing layers, phase separation under shear and microstructure evolution during solidification processes. As interfaces are replaced by thin transition regions (diffuse interfaces), phase field simulations need great resolution in these regions to capture correctly the physics of the studied problem. However, this is not an easy task to do numerically. Phase field model equations have high order derivatives and intricate nonlinear terms, which require an efficient numerical strategy that can achieve accuracy both in time and in space, especially in three dimensions. To obtain the required resolution in time, we employ a semi-implicit second order discretization scheme to solve the coupled Cahn-Hilliard/Navier-Stokes equations (Model H). To resolve adequatly the relevant physical scales in space, we use locally refined meshes which adapt dynamically to cover special flow regions, e.g., the vicinity of the fluid interfaces. We demonstrate the efficiency and robustness of our methodology with simulations that include spinodal decomposition, the deformation of drops under shear and Kelvin-Helmholtz instabilities.

Cette thèse porte sur différents aspects géométriques et morphologiques concernant des problèmes de mouillage et d'empilement de sphères. Nous proposons tout d'abord une nouvelle méthode de simulation pour étudier le mouillage et le glissement d'un liquide sur une surface nanostructurée: un modèle de champ de phase en lien avec la théorie de la fonctionnelle de la densité dynamique. Nous étudions grâce à cette méthode la possibilité de transformer une surface quelconque en surface omniphobe (c'est à dire qui repousse tous les liquides). Nous montrons que contrairement à la théorie classique de Cassie-Baxter-Wenzel, il est possible d'inverser la mouillabilité d'une surface en la texturant, et nous montrons qu'une surface monovaluée, i.e. sans constrictions, peut produire un comportement omniphobe c'est à dire repousser tous les liquides grâce à un effet de pointe. La géométrie a également un effet considérable dans les milieux vitreux ou bloqués. Les empilements aléatoires de sphères conduisent par exemple à des état bloqués ("jamming") et nous montrons que la structure locale de ces systèmes est universelle, c'est à dire indépendante de la méthode de préparation. Pour cela, nous introduisons des paramètres d'ordre - les tenseurs de Minkowski - qui suppriment les problèmes de robustesse qu'ont les paramètres d'ordre utilisés classiquement. Ces nouveaux paramètres d'ordre conduisent à une vision unifiée, basée sur des principes géométriques. Enfin, nous montrons grâce aux tenseurs de Minkowski que les empilements de sphères se mettent à cristalliser au delà du point d'empilement aléatoire le plus dense ("random close packing") / This thesis is devoted to several aspects of geometry and morphology in wetting problems and hard sphere packings. First, we propose a new method to simulate wetting and slip on nanostructured substrates: a phase field model associated with a dynamical density theory approach. We showed omniphobicity, meaning repellency, no matter the chemical properties of the liquid on monovalued surfaces, i.e. surfaces without overhangs, which is in contradiction with the macroscopic Cassie-Baxter-Wenzel theory, can produce so-called We checked systematically the impact of the surface parameters on omniphobic repellency, and we show that the key ingredient are line tensions, which emerge from needle shaped surface structures. Geometrical effects have also an important influence on glassy or jammed systems, for example amorphous hard sphere systems in infinite pressure limit. Such hard sphere packings got stuck in a so-called jammed phase, and we shall demonstrate that the local structure in such systems is universal, i.e. independent of the protocol of the generation. For this, robust order parameters - so-called Minkowski tensors - are developed, which overcome robustness deficiencies of widely used order parameters. This leads to a unifying picture of local order parameters, based on geometrical principles. Furthermore, we find with the Minkowski tensor analysis crystallization in jammed sphere packs at the random closed packing point

Le but de cette thèse est de développer des méthodes de démonstration d’existence et d’unicité de solutions d’équations d’évolution stochastiques locales ou non locales dans les problèmes de transition de phase. Au chapitre 1, nous étudions un problème à valeur initiale pour une ´équation de réaction-diffusion stochastique non locale avec des conditions aux limites de Neumann homogènes dans un ouvert borné de ℝn de frontière suffisamment régulière. On considère le cas d’un opérateur elliptique non linéaire assez général et on suppose que le bruit est additif et induit par un processus Q-Wiener. Le problème déterministe modélise la séparation de phases dans des alliages binaires. La démonstration d’existence de la solution du problème stochastique est basée sur un changement de fonction qui fait intervenir la solution de l’équation de la chaleur stochastique avec un terme de diffusion non linéaire. On est ainsi conduit à l'étude d’un problème sans terme de bruit, ce qui facilite l’application de la méthode de monotonie pour identifier la limite des termes non linéaires. Au chapitre 2, nous démontrons l’existence et l’unicité de la solution d’un système de champ de phase stochastique avec des bruits multiplicatifs induits par des processus Q-Wiener. Les problèmes de champ de phase sont utilisés pour d´écrire des modèles où deux phases distinctes interviennent comme par exemple l’eau et la glace. Dans ce but, nous appliquons la méthode de Galerkin et nous établissons des estimations a priori pour la solution approchée. Nous nous appuyons ensuite sur la méthode de monotonie stochastique pour identifier la limite du terme non linéaire. Finalement, au chapitre 3, nous démontrons l’existence et l’unicité d’une solution trajectorielle en dimension d’espace d ≤ 6 pour l’équation d’Allen-Cahn non locale stochastique avec un bruit multiplicatif induit par un processus Q-Wiener. La présence d’une variable supplémentaire empêche l’application des théorèmes de compacité usuels utilisés dans les problèmes déterministes. C’est ce qui nous amène à appliquer la méthode de compacité stochastique. / The aim of this thesis is to develop methods for proving the existence and uniqueness of solutionsof local and nonlocal stochastic evolution equations in phase transition problems. In chapter 1, we studyan initial value problem for a nonlocal stochastic reaction-diffusion equation with homogeneous Neumannboundary conditions in an open bounded set of ℝn, with a smooth boundary. We consider the case of ageneral nonlinear elliptic operator and we suppose that the noise is additive and induced by a Q-Wiener process.The deterministic problem with a linear diffusion term is used to model phase separation in a binarymixture. The proof of existence for the stochastic problem is based on a change of function which involvesthe solution of the stochastic heat equation with a nonlinear diffusion term. We obtain a problem withoutthe noise term. This simplifies the application of the monotonicity method, which we use to identify thelimit of the nonlinear terms. In chapter 2, we prove the existence and uniqueness of the solution for a phasefield problem with multiplicative noises induced by Q-Wiener processes. This problem models for instancethe process of melting and solidification. To that purpose we apply the Galerkin method and derive a prioriestimates for the approximate solutions. The last step is to identify the limit of the nonlinear terms whichwe do by the so-called stochastic monotonicity method. Finally, in chapter 3, we prove the existence anduniqueness of a pathwise solution in space dimension up to 6 for the stochastic nonlocal Allen-Cahn equationwith a multiplicative noise induced by a Q-Wiener process. The usual compactness method for deterministicproblems cannot be applied in a stochastic context because of the additional probability variable. Therefore,we apply the stochastic compactness method.

Nickel-based alloys are used in components such gas turbines within the aerospace industry and electric power generation due to its high tensile, rapture and creep strength. Increasing the efficiency of gas turbines are crucial to reduce emissions within the aerospace industry and increasing power gain for electric power generation. Innovation to increase the efficiency relies in part on the development of new nickel-based alloys with beneficial material properties. But also on stable and predictable material behavior during processing and post-processing of the components in the gas turbine. In two prominent material processing fields of precipitation hardened nickel-based alloys, additive manufacturing and welding, strain-age cracking (SAC) is a common phenomenon. SAC is a solid state phenomenon that generally occurs in alloys strengthened with 𝛾′, L12(Pm3m), or 𝛾′′, D022(I4/mmm), phase precipitates during post weld heat treatment or reheating where it manifests as intergranular cracking. Even though the existence of SAC has been known for several decades, its dominant mechanisms are still under considerable debate and the undertaken modeling efforts to gain insight on the phenomenon are virtually non-existent. This study aims to clarify the dominant mechanisms behind strain-age cracking. Breaching this gap would allow for new development for nickel-based alloys within both additive manufacturing and welding. To that extent the goal of this study is to provide tools to aid in clarifying the dominant mechanisms behind strain-age cracking. This is done by implementing the recently developed structural phase-field crystal (XPFC) model and examining the capabilities to model a precipitation event during reheating for a reference binary alloy in two dimensions. To evaluate the strain because of precipitation, a simple method based on the principles of neutron and synchrotron strain scanning is outlined and tested on the limited precipitation event achieved within the study. The XPFC model is capable of modeling precipitation with some restrictions that need further development with extended computational recourses. Lastly, the possibilities to extend the implemented XPFC model to cover nickel-based alloys is discussed.

Dendritic solidification has been the subject of continuous research, also because of its high importance in metal production. The challenge of predicting macroscopic material properties due to complex solidification processes is complicated by the multiple physical scales and phenomena involved. Practical modeling approaches are still subject to significant limitations due to remaining gaps in the systematic understanding of dendritic microstructure formation. The present work investigates some of these problems at the microscopic level of interfacial morphology using phase-field simulations. The employed phase-field models are implemented within a finite-element framework, allowing efficient and scalable computations on high-performance computing facilities. Particular emphasis is placed on the evolution and interaction of dendrite sidebranches in the broader context of dendrite fragmentation, varying and dynamical solidification conditions.

<div>This dissertation focuses on a consistent and conservative Phase-Field method for multiphase flow problems, and it includes both model and scheme development. The first general question addressed in the present study is the multiphase volume distribution problem. A consistent and conservative volume distribution algorithm is developed to solve the problem, which eliminates the production of local voids, overfilling, or fictitious phases, but follows the mass conservation of each phase. One of its applications is to determine the Lagrange multipliers that enforce the mass conservation in the Phase-Field equation, and a reduction consistent conservative Allen-Cahn Phase-Field equation is developed. Another application is to remedy the mass change due to implementing the contact angle boundary condition in the Phase-Field equations whose highest spatial derivatives are second-order. As a result, using a 2nd-order Phase-Field equation to study moving contact line problems becomes possible.</div><div><br></div><div>The second general question addressed in the present study is the coupling between a given physically admissible Phase-Field equation to the hydrodynamics. To answer this general question, the present study proposes the <i>consistency of mass conservation</i> and the <i>consistency of mass and momentum transport</i>, and they are first implemented to the Phase-Field equation written in a conservative form. The momentum equation resulting from these two consistency conditions is Galilean invariant and compatible with the kinetic energy conservation, regardless of the details of the Phase-Field equation. It is further illustrated that the 2nd law of thermodynamics and <i>consistency of reduction</i> of the entire multiphase system only rely on the properties of the Phase-Field equation. All the consistency conditions are physically supported by the control volume analysis and mixture theory. If the Phase-Field equation has terms that are not in a conservative form, those terms are treated by the proposed consistent formulation. As a result, the proposed consistency conditions can always be implemented. This is critical for large-density-ratio problems.</div><div><br></div><div>The consistent and conservative numerical framework is developed to preserve the physical properties of the multiphase model. Several new techniques are developed, including the gradient-based phase selection procedure, the momentum conservative method for the surface force, the boundedness mapping resulting from the volume distribution algorithm, the "DGT" operator for the viscous force, and the correspondences of numerical operators in the discrete Phase-Field and momentum equations. With these novel techniques, numerical analyses ensure that the mass of each phase and momentum of the multiphase mixture are conserved, the order parameters are bounded in their physical interval, the summation of the volume fractions of the phases is unity, and all the consistency conditions are satisfied, on the fully discrete level and for an arbitrary number of phases. Violation of the consistency conditions results in inconsistent errors proportional to the density contrasts of the phases. All the numerical analyses are carefully validated, and various challenging multiphase flows are simulated. The results are in good agreement with the exact/asymptotic solutions and with the existing numerical/experimental data.</div><div> </div><div><br></div><div>The multiphase flow problems are extended to including mass (or heat) transfer in moving phases and solidification/melting driven by inhomogeneous temperature. These are accomplished by implementing an additional consistency condition, i.e., <i>consistency of volume fraction conservation</i>, and the diffuse domain approach. Various problems are solved robustly and accurately despite the wide range of material properties in those problems.</div>

We present a discretization method of the Navier–Stokes Cahn–Hilliard equations which offers an impressing simplicity, making it easy to implement a scalable parallel code from scratch. The method is based on a special pressure projection scheme with incomplete pressure iterations. The resulting scheme admits solution by an explicit Euler method. Hence, all unknowns decouple, which enables a very simple implementation. This goes along with the opportunity of a straightforward parallelization, for example, by few lines of Open Multi-Processing (OpenMP) or Message Passing Interface (MPI) routines. Using a standard benchmark case of a rising bubble, we show that the method provides accurate results and good parallel scalability. / Wir stellen eine Diskretisierungsmethode der Navier-Stokes-Cahn-Hilliard-Gleichungen vor, welche es erlaubt, mit wenig Aufwand einen einfachen, skalierbar parallelen Code zu implementieren. Die Methode basiert auf einem Druckprojektionsschema mit unvollständigen Druckiterationen was eine Lösung durch eine explizite Euler-Methode erlaubt. Somit sind alle Unbekannten entkoppelt, was eine sehr einfache Implementierung mit einer unkomplizierten Parallelisierung ermöglicht, zum Beispiel durch Open Multi-Processing (OpenMP) oder Message Passing Interface (MPI) Routinen. Anhand eines Standard-Benchmark-Falls einer aufsteigenden Blase zeigen wir, dass die Methode genaue Ergebnisse und eine gute parallele Skalierbarkeit liefert.

The aluminothermic (AT) process utilises a self-propagating high-temperature synthesis (SHS) type reaction for producing primarily thermite steel and alumina slag at high temperatures during the welding of rails. In this work, an investigation on the early stages of the aluminothermic process, the separation of AT reaction products and mould filling has been carried out, using both experimental and computational methods to predict the time duration of a complete separation and to obtain a better understanding of the internal multiphase flow within the crucible and mould. The decomposition of AT reaction products after the combustion and the subsequent mould filling by thermite steel and alumina slag have been simulated numerically, using a diffusive phase field and volume-of-fluid model. However, to minimize numerical errors on the input parameters of the high- temperature multiphase flow, a careful review on transport properties has been made. Missing data, e.g. the contact angle of thermite steel on waterglass-bonded mould and crucible wall material has been investigated experimentally. Being further necessary for the prediction of the separation time of AT reaction products in compacted thermite, results on the propagation front velocity show a decreasing trend with increasing initial compact temperature. Further, the combustion front velocity is used for a subsequent analysis of the separation time, which is obtained from the phase distribution of thermite steel, alumina slag and intermetallic compounds, using a combustion front quenching (CFQ) methodology. Moreover, geometric modifications on the crucible and mould have been developed for a reduction in changeover time, as well as an optimized multiphase flow field. Their performance during crucible discharge and mould filling has been verified numerically. Furthermore, alumina slag inclusions have been tracked within the mould using a volume-of-fluid approach with their final positions being verified through an authentic welding. / Während des aluminothermischen (AT) Prozesses findet eine SHS-Reaktion Anwendung, um primär Thermitstahl und Aluminiumoxidschlacke bei hohen Temperaturen für das Verschweißen von Bahnschienen herzustellen. In dieser Arbeit wurden Anfangsstadien, welche die Separation der AT-Reaktionsprodukte sowie das Füllen der Gießform einbeziehen, unter Anwendung von sowohl experimentellen als auch numerischen Verfahren untersucht. Damit konnte die Zeitdauer einer kompletten Separation ermittelt und ein genaueres Verständnis der Mehrphasenströmung in Tiegel und Gießform erlangt werden. Die Separation der AT-Reaktionsprodukte nach der aluminothermischen Reaktion und die anschließende Formfüllung wurden mit einem diffusen Phasenfeld und einem Volume-of-Fluid-Modell numerisch berechnet. Für die Minimierung numerischer Fehler in den Eingangsgrößen dieser Hochtemperatur-Mehrphasenströmungen wurde eine intensive Literaturrecherche durchgeführt und fehlende Parameter, wie zum Beispiel die Kontaktwinkel von Thermitstahl auf Wasserglas gebundenem Form- und Tiegelmaterial, wurden experimentell ermittelt. Messungen der Reaktionsfrontgeschwindigkeit in gepresstem Thermit sind notwendig für eine Vorhersage der Separationszeit der AT-Reaktionsprodukte, und die Ergebnisse zeigen einen linear abfallenden Trend mit zunehmender Anfangstemperatur des verdichteten Materials. In dieser Arbeit wurde die Geschwindigkeit der Reaktionsfront verwendet, um aus der Phasenverteilung von Thermitstahl, Aluminiumoxidschlacke und intermetallischen Verbindungen als Ergebnis des CFQ-Experimentes die Separationszeit in verdichtetem Thermit zu approximieren. Es wurden Modifikationen an Tiegel und Gießform erprobt, die für eine Verbesserung der internen Strömungsführung sowie für die Reduzierung der Umrüstzeit sorgen sollen. Die Effizienz dieser Veränderungen wurde anschließend mit numerischen Methoden überprüft. Des Weiteren konnten durch eine Realschweißung die numerisch vorhergesagten finalen Positionen von Schlackeeinschlüssen innerhalb der Gießform verifiziert werden.