Ce travail a pour objectif de générer des modèles vasculaires et de simuler des écoulements sanguins réalistes à l'intérieur de ces modèles. La première étape consiste à segmenter/reconstruire le volume 3D du réseau vasculaire. Une fois de tels volumes vasculaires segmentés et maillés, il est alors possible de simuler des écoulements sanguins à l'intérieur de ceux-ci. Pour la segmentation, nous utilisons une approche variationnelle. Nous proposons un premier modèle qui inclut un a priori de tubularité dans les modèles de débruitage ROF et TV-L1. Néanmoins, bien que ces modèles permettent de réhausser les vaisseaux, ils ne permettent pas de les segmenter. C'est pourquoi nous proposons un deuxième modèle amélioré qui inclut à la fois un a priori de tubularité et de direction dans le modèle de segmentation de Chan-Vese. Les résultats sont présentés sur des images synthétiques 2D, ainsi que sur des images rétiniennes. En ce qui concerne la simulation, nous nous intéressons d'abord au réseau veineux cérébral, encore peu étudié. Les équations de la dynamique des fluides qui régissent les écoulements sanguins dans notre géométrie sont alors les équations de Navier-Stokes. Pour résoudre ces équations, la méthode classique des caractéristiques est comparée avec un schéma d'ordre plus élevé. Ces deux schémas sont validés sur des solutions analytiques avant d'être appliqués aux cas réalistes du réseau veineux cérébral premièrement, puis du polygone artériel de Willis. / The aim of this work is to generate vascular models and simulate blood flows inside these models. A first step consists of segmenting/reconstructing the 3D volume of the vascular network. Once such volumes are segmented and meshed, it is then possible to simulate blood flows. For segmentation purposes, we use a variational approach. We first propose a model that embeds a vesselness prior in the denoising models ROF and TV-L1. Although these models can enhance vessels, they are not designed for segmentation. Then, we propose a second, improved model that includes both vesselness and direction priors in the Chan-Vese segmentation model. The results are presented on 2D synthetic images, as well as retinal images. In the second part, devoted to simulation, we first focus on the cerebral venous network, that has not been intensively studied. The equations governing blood flows inside our geometry are the Navier-Stokes equations. For their resolution, the classical method of characteristics is compared with a high-order scheme. Both schemes are validated on analytical solutions before their application on the realistic cases of the cerebral venous network, and the arterial polygon of Willis.

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Presented work deals with heat transfer and its methods. At the beginning thesis describes the theory and the ways of heat transfer with connected quantities and equations. Then it explains the stack effect and impact of temperature on electro technical device. In work is also described ABB driver ACS line and calculation of heat transfer according to IEC 60890 standard. In the practical part there is the calculation of heat transfer in Flow Simulation simulating CFD program solved and finite element method is mentioned. Important part of work is devoted to setting and optimization of simulation. In conclusion are made some changes of construction of driver, dependence on heat transfer is inspected.

Manufacturing of electronics devices, continuously decreasing in size, commonly requires the vapor phase deposition of materials into small structures on a wafer, often at a nanometer scale. In this thesis the goal is to simulate vapor-phase deposition processes at a scale where fully atomistic simulations using Molecular Dynamics are no longer feasible. This is achieved by combing two methods, one simulating the gas flow and deposition processes and another method simulating the changing surface. A Particle Monte Carlo method, specifically designed for free molecular flow, the typical flow regime at this length scale, is used. The simulation of growing surfaces uses the Level Set Method. Combining these two methods requires some additional coupling steps presented in this work. With the coupled model, different deposition processes are simulated within trenches to observe how well these processes perform for achieving a uniform deposition, as well as evaluating different process conditions.:Table of Contents List of Figures List of Tables List of Abbreviations List of Symbols 1 Introduction 2 Basics 2.1 Surface deposition processes 2.1.1 Chemical Vapor Deposition 2.1.2 Atomic Layer Deposition 2.1.3 Physical Vapor Deposition 2.2 Simulation approaches for surface depositions 2.2.1 Modeling chemical reactions on a surface 2.2.2 Interaction tables for PVD 2.3 Flow regimes 2.4 Molecular Dynamics 2.5 Particle Monte Carlo 2.6 Marker Particle Method 2.7 Level Set Method 2.7.1 Re-initialization of the signed distance function 2.7.2 Extension Velocities 2.7.3 Fast Marching Method 2.7.4 Upwind scheme 2.7.5 Curvature 2.8 Marching-Squares/Cubes Algorithm 3 Methods and Implementation 3.1 Software 3.1.1 External libraries 3.1.2 Geosect 3.2 Initialization of the signed distance field 3.3 Coupling between particle simulations and Level Set 3.3.1 The simulation cycle 3.3.2 Conversion from a grid to a discrete mesh 3.3.3 Extension of growth rates from a mesh to a grid 3.4 Integrating the Level Set Equation 3.4.1 Splitting the number of particles between different steps 3.4.2 Re-initializing the signed distance function 3.4.3 Handling surface coverage 3.4.4 The full update of the surface 3.5 Curvature dependent reflow 3.6 Level Set for radial symmetry 4 Verification 4.1 Testing different integration schemes 4.1.1 Growth of a circle in a linear velocity field 4.1.2 PVD in trenches 4.2 Mass preservation during curvature dependent reflow 4.3 Comparisons between 2D, radial 2D and 3D 4.3.1 Comparing 2D and 3D 4.3.2 Comparing radial 2D and 3D 5 Process Simulations 5.1 Resputter process using a PVD 5.1.1 Simulations and their parameters 5.1.2 Surfaces after the deposition step 5.1.3 Surface growth in the resputter step 5.1.4 Conditions for improved layer thickness 5.2 CVD with an effective sticking coefficient 5.3 Incomplete ALD cycles 5.4 Deposition onto a complex 3D shape 6 Conclusion Bibliography Acknowledgment Statement of authorship

L'objectif principal de la thèse est de définir comment l'incertitude peut être prise en compte dans leprocessus d'évaluation des risques pour le stockage de CO2 et de quantifier, à l'aide de modèles numériques,les scénarios de fuite par migration latérale et à travers la couverture. Les scénarios choisis sont quantifiéspar l'approche de modélisation de système pour laquelle des modèles numériques prédictifs ad-hoc sontdéveloppés. Une étude probabiliste de propagation d'incertitude paramétrique par un méta-modèle depolynômes de chaos est réalisée. La problématique de la prise en compte de la variabilité spatiale comme unesource d'incertitude est éclairée et une étude comparative entre représentations homogène et hétérogène de laperméabilité est fournie. / The main goal of the thesis is to define how the uncertainty can be accounted for in the process of riskassessment for CO2 storage and to quantify by means of numerical models the scenarii of leakage by lateralmigration and through the caprock. The chosen scenarii are quantified using the system modeling approachfor which ad-hoc predictive numerical models are developed. A probabilistic parametric uncertaintypropagation study using polynomial chaos expansion is performed. Matters of spatial variability are alsodiscussed and a comparison between homogeneous and heterogeneous representations of permeability isprovided.

Le but de cette thèse est l’investigation des particularités des problèmes d’optimisation et modélisation des réacteurs tubulaires de polymérisation. La partie originale du travail est divisé en deux sections : la première traitant de l'étude théorique de la modélisation et de l’optimisation des réacteurs tubulaires de polymérisation du méthacrylate de méthyle en solution, et la deuxième, une étude expérimentale et théorique de l'extrusion réactive de L-lactide. Dans la première partie, afin de sélectionner un modèle cinétique représentatif, parmi les modèles publiés pour le processus de polymérisation de MMA, des simulations ont été effectuées en conditions identiques de fonctionnement. Deux algorithmes numériques, l’un basé sur le Principe du Minimum de Pontriaguine et l’autre de type Génétique, ont été comparés pour un problème d'optimisation de complexité moyenne. Les résultats ont montré une robustesse supérieure de l’Algorithme Génétique pour cette catégorie de problèmes. La deuxième partie de la thèse est consacrée à la modélisation et à l’optimisation de l'extrusion réactive du Llactide. Nous avons proposé un modèle cinétique et ses paramètres ont été estimés en utilisant des procédures numériques basées sur les données cinétiques expérimentales. Les expériences d'extrusion réactives ont été exécutées dans les conditions de fonctionnement représentatives. L'écoulement de L-lactide/polylactide dans l'extrudeuse a été caractérisé par la simulation en utilisant un logiciel commercial, LUDOVIC®. Les caractéristiques de la distribution des temps de séjour simulées sont utilisées pour modéliser le processus d'extrusion réactive en utilisant deux approches, un modèle à dispersion axiale et un modèle à base de compartiments, dont les caractéristiques sont déduites des simulations effectuées avec LUDOVIC®. Les résultats de la modélisation du processus sont en bon accord avec des données mesurées en mêmes conditions opératoires. / The aim of this thesis is the investigation of modeling and optimization particularities of tubular polymerization reactors. The original work is divided in two sections, the first treating a modeling and optimization study of tubular reactors for methyl methacrylate polymerization in solution, and the second, an experimental and theoretical study of L-lactide reactive extrusion. In the first section, reactor simulations in similar operating conditions were performed in order to select a representative kinetic model among the published kinetic models for MMA solution polymerization. Two widely used numerical algorithms, one based on Pontryagin’s Minimum Principle and the other a Genetic Algorithm, were compared for an average-complexity optimization problem. The results showed a superior robustness of the Genetic Algorithm for this category of problems. The second part of the thesis deals with the modeling and optimization of L-lactide reactive extrusion. A kinetic model is proposed and its parameters estimated using nonlinear estimation numerical procedures based on experimentally measured data. Reactive extrusion experiments were performed in representative operating conditions. The Llactide/ polylactide flow in the extruder was characterized by simulation using the commercial software LUDOVIC®. The simulated residence time distributions characteristics are used to model the reactive extrusion process of two approaches, an axial dispersion model and a compartment model, based on compartments whose characteristics are deduced from the simulations using LUDOVIC®. The modeling results are in good agreement with the measured data in the same operating conditions.

Environmental pollution has become a global concern as consequence of industrializa-tion and urbanization. The ongoing subsurface contamination by dense non-aqueous phase liquids (DNAPLs) bears tremendous hazardous potential for humans and ecosys-tems including aquifer systems. Intended or accidental spill events have led to a vast number of registered sites affected by DNAPL type chemicals. Despite the existence of novel techniques for their exploration, characterization and remediation, economical constraints often limit efforts for risk prevention or reduction, so that information and data to characterize highly complex DNAPL contamination scenarios are often insuffi-cient and compensated by natural attenuation of groundwater-dissolved contaminant plumes. Especially, knowledge on the DNAPL source zone geometry (SZG) and source zone formation are critically required yet very scarce. Against the previously stated background, this cumulative doctoral dissertation critically examined the processes of DNAPL source zone formation at laboratory scale. A comprehensive literature review identified current limitations and open research questions in the latter research field, revealing evidence for the relevance of SZG for plume response at different scales. Giv-en only a limited number of published studies related to DNAPL source zone formation, two simplified experimental setups mimicking source zone formation in an initially fully water-saturated aquifer were developed and intensively tested. The performance of aqueous and non-wetting phase dyes was evaluated for DNAPL release into three non-consolidated porous media using reflective optical imaging in combination with a cus-tom-made image processing and analysis (IPA) framework. The latter suite allowed for the generation of physically plausible DNAPL saturation distributions with determinable level of uncertainty. Then, a limited number of DNAPL release experiments were per-formed under controlled ambient as well as with boundary and initial conditions to generate robust observation data, while further adopting the IPA framework. The latter data was introduced into a numerical multiphase flow model. While most system pa-rameters could be directly determined, the parameters defining the capillary pressure-saturation and relative permeability-saturation retention curves were inversely deline-ated through a classical Monte Carlo analysis. Overall, the successfully calibrated nu-merical setup mimicking the transient DNAPL source zone formation allowed to quanti-fy uncertainties related to the experiment, IPA framework and model setup configura-tion. In addition, a number of new research questions pointing towards future im-provements of laboratory-scale methodologies to understand DNAPL contamination were derived. Especially in light of numerous existing contaminated sites with unclear history and even more vague future, given by potential impacts through climate change and anthropogenic activity, an increasing need for sophisticated strategies to better un-derstand DNAPL contamination and to reduce hazard potential is expected.:Statement I List of publications II Abstract VI Acknowledgements and funding information IX List of figures XIII List of tables XIV Abbreviations and symbols used in the main text XV 1 Introduction and background 1-1 1.1 Motivation of this thesis 1-1 1.2 Incorporation of this thesis in research projects 1-4 1.3 Definition of objectives and workflow strategy of this thesis 1-5 1.4 Formal structure of this thesis 1-11 2 Existing knowledge on DNAPL contamination 2-1 3 Fundamentals of DNAPL migration in porous media 3-1 3.1 Basic concepts for multiphase flow in porous media 3-1 3.2 Capillary pressure-saturation correlation 3-3 3.3 Relative permeability-saturation correlation 3-5 3.4 Balance equations for laminar fluid phase flow in porous media 3-7 4 Core research complex A : Development of a framework for the semi-automatized generation of DNAPL saturation distribution observation data 4-1 5 Core research complex B : Experimental and model-based simulation of DNAPL source zone formation 5-1 6 Summary and conclusions 6-1 6.1 Summary of perceptions for each main section of this thesis 6-1 6.2 New research questions with regard to DNAPL source zone formation at the laboratory scale 6-5 6.3 General recommendations for future works related to DNAPL contamination 6-8 References Ref-1 Appendix I : ENGELMANN ET AL. (2019a) App I-1 Published journal article App I-1 Appendix II : ENGELMANN ET AL. (2019b) App II-1 Published journal article App II-1 Electronic Supplementary Material 1 : Unprocessed raw TIFF format images used for IPA frame-work evaluation App II-26 Electronic Supplementary Material 2 : Sensitivities for color model change and binary conversion algorithms App II-36 Electronic Supplementary Material 3 :Relevance of spatially non-uniform illumination correction and background exclusion App II-76 Appendix III : ENGELMANN ET AL. (2021) App III-1 Published journal article App III-1 Electronic Supplementary Material 1 : Unprocessed raw TIFF format images for IPA framework ap-plication App III-30 Electronic Supplementary Material 2 : Processed images with all intermediate steps of IPA frame-work application App III-58 Electronic Supplementary Material 3 : IPA fitness App III-86 Electronic Supplementary Material 4 : Partial objective functions App III-87 Electronic Supplementary Material 5 : Model verification App III-93

多様化する樹脂材料の射出成形において，目的に応じた溶融状態を得るための高度な可塑化技術が求められている．本研究では，流動シミュレーションを用いて可塑化現象を定量化し，所望の溶融状態に対する影響因子を明らかにすることでスクリュ形状を最適化し，実験検証により検討の妥当性を確認した．また，スクリュ形状を3Dプリンタによりプロトタイピングし，疑似流体を用いた可視化モデル実験を提案し，新規スクリュの開発手法としての有効性を示した． / In injection molding of diversified resins, it has been required advancement of plasticizing technology in order to realize a melting condition according to purpose. This study investigated quantifying phenomena by flow simulation, and optimizing the screw design by clarifying the influence factors for the desired melting condition. The effects of optimized screw were confirmed the validity of results by experimental validations. Also, models experiments of visualizing test that utilized simulated fluid and prototyped screw by 3D printer were proposed, there were indicated efficacy for the development approach of new screw design. / 博士(工学) / Doctor of Philosophy in Engineering / 同志社大学 / Doshisha University

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In der Intralogistik führen technologieabhängig gekoppelte, drehzahlvariable Mehrmotorensysteme zu hohen Schwankungen im elektrischen Leistungsbedarf, der u.a. von der transportierten Gütermenge abhängt. Aufgrund der Überlappung der Lastanforderungen einzelner Verbraucher entstehen beträchtliche Lastmaxima, die das Versorgungsnetz belasten und eine Überdimensionierung der Infrastruktur erfordern. Ein räumlich ausgedehnter Gleichspannungsverbund in Kombination mit einem Energiespeichersystem sowie die Anpassung der Steuerung bieten Lösungen zur Verringerung der Netzanschlussleistung und des Energiebedarfs. Darüber hinaus ermöglichen solche Systeme eine effektive Rückgewinnung von potentieller und Bremsenergie. Am Beispiel eines Lagersystems mit Regalbediengeräten wird ermittelt, welche Reduktion des Netzleistungsbedarfs und Energieverbrauchs erreicht werden kann. Dabei werden ebenfalls die Auswirkungen auf die Durchsatzleistung des Systems untersucht. Dazu kommen Modelle des Bewegungsablaufes, der Komponenten der Antriebsstränge mit Abbildung von Mechanik, Getriebe, Motoren, Umrichter und der Speicher in einem Materialflussmodell zum Einsatz. Die Materialflusssimulationsumgebung wird dazu um die kontinuierlichen Modelle zu einem kombinierten Systemmodell erweitert und leistungsbegrenzende Steuerungsansätze im Zusammenwirken mit dem erweiterten Gleichspannungsverbund sowie den elektrischen Speichersystemen analysiert. Abschließend erfolgt die Ermittlung der Wirtschaftlichkeit der einzelnen Lösungen. Das Ergebnis ist ein Verfahren zur effizienten Betriebsweise von Intralogistiksystemen sowie eine Methode zur Dimensionierung eines räumlich ausgedehnten Gleichspannungsverbunds mit elektrischem Speicher. Zusammenfassend werden wirtschaftliche Maßnahmen identifiziert, die elektrische Lastmaxima reduzieren, die Schwankungen in der externen Energieversorgung verringern und die Energieeffizienz von Intralogistiksystemen verbessern. / In intralogistics, technologically linked, variable-speed multi-motor systems cause high fluctuations in electrical power demand due to variations in the amount of transported goods. These fluctuations often result in overlapping load demands by various consumers, which strain the supply network and require overdimensioning of infrastructure. To address this issue, a physically extended DC link, in combination with an energy storage system as well as adapted control, can reduce both grid power demand and energy consumption while allowing for the recovery of potential and braking energy. To evaluate the achievable reduction of grid power and energy demand, models were developed for individual components such as drive trains with motor, inverter, storage, axis coordination and material flow simulation with sequence control. An example of a warehouse system with storage and retrieval machines was used to determine the effects on throughput performance. To achieve this, the material flow simulation environment was extended to a combined system model, and performance-limiting control approaches were analyzed in interaction with the extended DC link and storage. Subsequently, economic feasibility of the individual solutions was determined. The result is a procedure for efficient operation of intralogistics systems and a methodology for dimensioning a physically extended DC link with electrical storage. The overall objective was to identify economic solutions that reduce electrical load peaks, balance external energy supply, and make intralogistics systems more energy-efficient. In conclusion, this study identifies economically viable solutions that can reduce electrical load peaks, balance external energy supply, and improve energy efficiency of intralogistics systems.