Multiphase modeling of melting : solidification with high density variations using XFEM

La modélisation de la cryolite, utilisée dans la fabrication de l’aluminium, implique plusieurs défis, notament la présence de discontinuités dans la solution et l’inclusion de la difference de densité entre les phases solide et liquide. Pour surmonter ces défis, plusieurs éléments novateurs ont été développés dans cette thèse. En premier lieu, le problème du changement de phase, communément appelé problème de Stefan, a été résolu en deux dimensions en utilisant la méthode des éléments finis étendue. Une formulation utilisant un multiplicateur de Lagrange stable spécialement développée et une interpolation enrichie a été utilisée pour imposer la température de fusion à l’interface. La vitesse de l’interface est déterminée par le saut dans le flux de chaleur à travers l’interface et a été calculée en utilisant la solution du multiplicateur de Lagrange. En second lieu, les effets convectifs ont été inclus par la résolution des équations de Stokes dans la phase liquide en utilisant la méthode des éléments finis étendue aussi. Troisièmement, le changement de densité entre les phases solide et liquide, généralement négligé dans la littérature, a été pris en compte par l’ajout d’une condition aux limites de vitesse non nulle à l’interface solide-liquide pour respecter la conservation de la masse dans le système. Des problèmes analytiques et numériques ont été résolus pour valider les divers composants du modèle et le système d’équations couplés. Les solutions aux problèmes numériques ont été comparées aux solutions obtenues avec l’algorithme de déplacement de maillage de Comsol. Ces comparaisons démontrent que le modèle par éléments finis étendue reproduit correctement le problème de changement phase avec densités variables.The modelling of the cryolite bath, used in the smelting of aluminum, offers multiple challenges, particularly the presence of discontinuities in the solution and a difference in density between the solid and liquid phases. To over come these challenges, several novel elements were developed in this thesis. First of all, the phase change problem, commonly named the Stefan problem, was solved in two dimensions using the extended finite element method. A specially designed Lagrange multiplier formulation, using an enriched Lagrange multiplier solution, was implemented to impose the melting temperature on the interface. The interface velocity is determined by the jump in the heat flux across the interface and was calculated using the Lagrange multiplier values. Secondly, convection was included by solving the Stokes equations in the liquid phase using the extended finite element method as well. Thirdly, the density change between solid and liquid phases, usually neglected in the literature, was taken into account by the addition of a non-zero velocity boundary condition at the solid-liquid interface to maintain mass conservation in the system. Benchmark analytical and numerical problems were solved to validated the various components of the model and the coupled system of equations. The solutions to the numerical problems were compared to the solutions obtained using Comsol’s moving mesh algorithm. Theses comparisons show that the extended finite element method correctly solves the phase change problem with non-constant densities

Numerical model building based on XFEM/level set method to simulate ledge freezing/melting in Hall-Héroult cell

Au cours de la production de l'aluminium via le procédé de Hall-Héroult, le bain gelé, obtenu par solidification du bain électrolytique, joue un rôle significatif dans le maintien de la stabilité de la cellule d'électrolyse. L'objectif de ce travail est le développement d'un modèle numérique bidimensionnel afin de prédire le profil du bain gelé dans le système biphasé bain liquide/bain gelé, et ce, en résolvant trois problèmes physiques couplés incluant le problème de changement de phase (problème de Stefan), la variation de la composition chimique du bain et le mouvement de ce dernier. Par souci de simplification, la composition chimique du bain est supposée comme étant un système binaire. La résolution de ces trois problèmes, caractérisés par le mouvement de l'interface entre les deux phases et les discontinuités qui ont lieu à l'interface, constitue un grand défi pour les méthodes de résolution conventionnelles, basées sur le principe de la continuité des variables. En conséquence, la méthode des éléments finis étendus (XFEM) est utilisée comme alternative afin de traiter les discontinuités locales inhérentes à chaque solution tandis que la méthode de la fonction de niveaux (level-set) est exploitée pour capturer, implicitement, l'évolution de l'interface entre les deux phases. Au cours du développement de ce modèle, les problématiques suivantes : 1) l'écoulement monophasique à densité variable 2) le problème de Stefan couplé au transport d'espèces chimiques dans un système binaire sans considération du phénomène de la convection et 3) le problème de Stefan et le mouvement du fluide qui en résulte sont investigués par le biais du couplage entre deux problèmes parmi les problèmes mentionnées ci-dessus. La pertinence et la précision de ces sous-modèles sont testées à travers des comparaisons avec des solutions analytiques ou des résultats obtenus via des méthodes numériques conventionnelles. Finalement, le modèle tenant en compte les trois physiques est appliqué à la simulation de certains scénarios de solidification/fusion du système bain liquide-bain gelé. Dans cette dernière application, le mouvement du bain, induit par la différence de densité entre les deux phases ou par la force de flottabilité due aux gradients de température et/ou de concentration, est décrit par le problème de Stokes. Ce modèle se caractérise par le couplage entre différentes physiques, notamment la variation de la densité du fluide et de la température de fusion en fonction de la concentration des espèces chimiques. En outre, la méthode XFEM démontre sa précision et sa flexibilité pour traiter différents types de discontinuité tout en considérant un maillage fixe.During the Hall-Héroult process for smelting aluminium, the ledge formed by freezing the molten bath plays a significant role in maintaining the internal working condition of the cell at stable state. The present work aims at building a vertically two-dimensional numerical model to predict the ledge profile in the bath-ledge two-phase system through solving three interactive physical problems including the phase change problem (Stefan problem), the variation of bath composition and the bath motion. For the sake of simplicity, the molten bath is regarded as a binary system in chemical composition. Solving the three involved problems characterized by the free moving internal boundary and the presence of discontinuities at the free boundary is always a challenge to the conventional continuum-based methods. Therefore, as an alternative method, the extended finite element method (XFEM) is used to handle the local discontinuities in each solution space while the interface between phases is captured implicitly by the level set method. In the course of model building, the following subjects: 1) one-phase density driven flow 2) Stefan problem without convection mechanism in the binary system 3) Stefan problem with ensuing melt flow in pure material, are investigated by coupling each two of the problems mentioned above. The accuracy of the corresponding sub-models is verified by the analytical solutions or those obtained by the conventional methods. Finally, the model by coupling three physics is applied to simulate the freezing/melting of the bath-ledge system under certain scenarios. In the final application, the bath flow is described by Stokes equations and induced either by the density jump between different phases or by the buoyancy forces produced by the temperature or/and compositional gradients. The present model is characterized by the coupling of multiple physics, especially the liquid density and the melting point are dependent on the species concentration. XFEM also exhibits its accuracy and flexibility in dealing with different types of discontinuity based on a fixed mesh

A numerical solution that determines the temperature field inside phase change materials: application in buildings

The use of novel building materials that contain active thermal components would be a major advancement in achieving significant heating and cooling energy savings. In the last 40 years, Phase Change Materials or PCMs have been tested as thermal mass components in buildings, and most studies have found that PCMs enhance the building energy performance. The use of PCMs as an energy storage device is due to their relatively high fusion latent heat; during the melting and/or solidification phase, a PCM is capable of storing or releasing a large amount of energy. PCMs in a wall layer store solar energy during the warmer hours of the day and release it during the night, thereby decreasing and shifting forward in time the peak wall temperature. In this paper, an algorithm is presented based on the general Fourier differential equations that solve the heat transfer problem in multi-layer wall structures, such as sandwich panels, that includes a layer that can change phase. In detail, the equations are proposed and transformed into formulas useful in the FDM approach (finite difference method), which solves the system simultaneously for the temperature at each node. The equation set proposed is accurate, fast and easy to integrate into most building simulation tools in any programming language. The numerical solution was validated using a comparison with the Voller and Cross analytical test problem

Finite element approximation of a coupled contact Stefan-like problem arising from the time discretization in deformation theory of thermo-plasticity

AbstractIn the paper we draw on the mathematical formulation of the coupled contact Stefan-like problem in deformation theory of plasticity, which arises from the discretization in time. The problem leads to solving the system of variational inequalities, which is approximated by the FEM. Numerical analysis of the problem is made

A CutFEM method for Stefan-Signorini problems with application in pulsed laser ablation

In this article, we develop a cut finite element method for one-phase Stefan problems, with applications in laser manufacturing. The geometry of the workpiece is represented implicitly via a level set function. Material above the melting/vaporisation temperature is represented by a fictitious gas phase. The moving interface between the workpiece and the fictitious gas phase may cut arbitrarily through the elements of the finite element mesh, which remains fixed throughout the simulation, thereby circumventing the need for cumbersome re-meshing operations. The primal/dual formulation of the linear one-phase Stefan problem is recast into a primal non-linear formulation using a Nitsche-type approach, which avoids the difficulty of constructing inf-sup stable primal/dual pairs. Through the careful derivation of stabilisation terms, we show that the proposed Stefan-Signorini-Nitsche CutFEM method remains stable independently of the cut location. In addition, we obtain optimal convergence with respect to space and time refinement. Several 2D and 3D examples are proposed, highlighting the robustness and flexibility of the algorithm, together with its relevance to the field of micro-manufacturing

Solución numérica del problema de transmisión de calor con cambio de fase

Este trabajo resume el estado del arte de la solución numérica de los problemas de transmisión de calor con cambio de fase. Su objetivo consiste en presentar algoritmos en función de su capacidad de encarar problemas ingenieriles, dejando de lado los aspectos teóricos referidos a la convergencia de la solución numérica a-la solución matemática clásica del problema. Se detallan las ventajas y desventajas de los diferentes esquemas para que se pueda efectuar la selección del método más conveniente para un problema determinado. Asimismo se indican cuáles son las tendencias de investigación actuales y las posibilidades futuras en el área. Se incluye una serie de ejemplos numéricos para remarcar los aspectos destacables de los métodos tratados en el trabajo.Peer Reviewe

Low Mach Number Modeling of Type Ia Supernovae

We introduce a low Mach number equation set for the large-scale numerical simulation of carbon-oxygen white dwarfs experiencing a thermonuclear deflagration. Since most of the interesting physics in a Type Ia supernova transpires at Mach numbers from 0.01 to 0.1, such an approach enables both a considerable increase in accuracy and savings in computer time compared with frequently used compressible codes. Our equation set is derived from the fully compressible equations using low Mach number asymptotics, but without any restriction on the size of perturbations in density or temperature. Comparisons with simulations that use the fully compressible equations validate the low Mach number model in regimes where both are applicable. Comparisons to simulations based on the more traditional anelastic approximation also demonstrate the agreement of these models in the regime for which the anelastic approximation is valid. For low Mach number flows with potentially finite amplitude variations in density and temperature, the low Mach number model overcomes the limitations of each of the more traditional models and can serve as the basis for an accurate and efficient simulation tool.Comment: Accepted for publication in the Astrophysical Journal 31 pages, 5 figures (some figures degraded in quality to conserve space

The Stefan problem in a thermomechanical context with fracture and fluid flow

The classical Stefan problem, concerning mere heat-transfer during solid-liquid phase transition, is here enhanced towards mechanical effects. The Eulerian description at large displacements is used with convective and Zaremba-Jaumann corotational time derivatives, linearized by exploiting the additive Green-Naghdi's decomposition in (objective) rates. In particular, the liquid phase is a viscoelastic fluid while creep and rupture of the solid phase is considered in the Jeffreys viscoelastic rheology exploiting the phase-field model, exploiting a concept of slightly (so-called "semi") compressible materials. The $L^1$-theory for the heat equation is adopted for the Stefan problem relaxed by allowing for kinetic superheating/supercooling effects during the solid-liquid phase transition. A rigorous proof of existence of week solutions is provided for an incomplete melting, exploiting a time-discretisation approximation