L’évaporation de gouttes de liquides contenant des particules non volatiles représente un phénomène largement présent dans la vie quotidienne, à l’image des traces laissées par le marc de café après séchage. L’étude de la morphologie des dépôts de particules présente un grand intérêt dans les domaines de la biologie et trouve de nombreuses applications dans l’industrie. De ce fait, elle a fait l’objet de nombreuses recherches durant les dernières décennies. Malgré les nombreuses récentes recherches sur les morphologies des dépôts de particules, les mécanismes les contrôlant restent encore non complétement expliqués. Certains facteurs influençant les morphologies des dépôts sont nombreux (température de substrats…) mais restent encore peu documentés dans la littérature. Cette étude expérimentale s’intéresse à l’influence de la température du substrat sur la morphologie des dépôts de nanoparticules après séchage de gouttes sessiles de liquides. L’augmentation de la température du substrat accélère le processus d’évaporation et entraine des morphologies de dépôts très différentes de celles obtenues sur des substrats à température ambiante. Dans cette étude, la microscopie combinée à la thermographie infrarouge et à l’interférométrie ont permis d’expliquer la dynamique de formation de dépôts. De plus, l’étude a permis d’analyser les effets d’autres paramètres sur la morphologie des dépôts, tel que la composition chimique du liquide composant les gouttes. / Evaporation of liquid droplets containing non-volatile solutes is an omnipresent phenomenon in daily life, e.g., coffee stains on solid surfaces. The study of pattern formation of the particles left after the evaporation of a sessile droplet has attracted the attention of many researchers during the past two decades due to the wide range of biological and industrial applications. Despite the significance of controlling the deposition morphology of droplets, the underlying mechanisms involved in pattern formation are not yet fully understood. There is a varied range of factors that affect the final deposition patterns and some, e.g., substrate temperature, are poorly studied in the literature. This experimental study investigates the effect of a wide range of substrate temperatures on the deposition patterns of nanoparticles from drying sessile droplets. Increasing substrate temperature and accelerating the drying process lead to the formation of the patterns not observed on non-heated substrates. This research elucidates the formation mechanisms of these patterns by optical microscopy, infrared thermography, and white light interferometry techniques. Furthermore, the combined effects of substrate temperature and other factors such as chemical composition of base fluid and particle size on the dried patterns are studied. The underlying mechanisms involved in the formation of the patterns influenced by the combined factors are also discussed and presented.

Convection in a layer of fluid with a free surface due to a combination of thermocapillary stresses and buoyancy is a classic problem of fluid mechanics. It has attracted increasing attentions recently due to its relevance for two-phase cooling. Many of the modern thermal management technologies exploit the large latent heats associated with phase change at the interface of volatile liquids, allowing compact devices to handle very high heat fluxes. To enhance phase change, such cooling devices usually employ a sealed cavity from which almost all noncondensable gases, such as air, have been evacuated. Heating one end of the cavity, and cooling the other, establishes a horizontal temperature gradient that drives the flow of the coolant. Although such flows have been studied extensively at atmospheric conditions, our fundamental understanding of the heat and mass transport for volatile fluids at reduced pressures remains limited. A comprehensive and quantitative numerical model of two-phase buoyancy-thermocapillary convection of confined volatile fluids subject to a horizontal temperature gradient has been developed, implemented, and validated against experiments as a part of this thesis research. Unlike previous simplified models used in the field, this new model incorporates a complete description of the momentum, mass, and heat transport in both the liquid and the gas phase, as well as phase change across the entire liquid-gas interface. Numerical simulations were used to improve our fundamental understanding of the importance of various physical effects (buoyancy, thermocapillary stresses, wetting properties of the liquid, etc.) on confined two-phase flows. In particular, the effect of noncondensables (air) was investigated by varying their average concentration from that corresponding to ambient conditions to zero, in which case the gas phase becomes a pure vapor. It was found that the composition of the gas phase has a crucial impact on heat and mass transport as well as on the flow stability. A simplified theoretical description of the flow and its stability was developed and used to explain many features of the numerical solutions and experimental observations that were not well understood previously. In particular, an analytical solution for the base return flow in the liquid layer was extended to the gas phase, justifying the previous ad-hoc assumption of the linear interfacial temperature profile. Linear stability analysis of this two-layer solution was also performed. It was found that as the concentration of noncondensables decreases, the instability responsible for the emergence of a convective pattern is delayed, which is mainly due to the enhancement of phase change. Finally, a simplified transport model was developed for heat pipes with wicks or microchannels that gives a closed-form analytical prediction for the heat transfer coefficient and the optimal size of the pores of the wick (or the width of the microchannels).

Plusieurs études tant numériques qu’expérimentales font état de la présence d’instabilités thermiques dans des films liquides chauffés uniformément par le bas pour des conditions aux limites et d’écoulements particuliers. La présence de ces instabilités modifiera les transferts thermiques associés. Le sujet de ce travail de thèse consiste à étudier numériquement les instabilités thermoconvectives d’un écoulement laminaire tridimensionnel de convection mixte dans un canal horizontal à surface libre. Les variations de la tension de surface avec la température (effet Marangoni ou effet thermocapillaire) sont prises en compte. Bien que d’un intérêt certain pour de nombreuses applications industrielles, cette situation a été très peu étudiée d’un point de vue académique dans la configuration considérée ici. Dans cette de configuration plusieurs types de structures thermoconvectives sont susceptibles d’apparaître. Lorsque les forces induites par les courants de convection naturelle, forcée et thermocapillaire sont du même ordre de grandeur, les premiers résultats montrent un développement des instabilités sous forme de rouleaux convectifs longitudinaux stationnaires semblables à ceux rencontrés pour des écoulements de type Poiseuille-Rayleigh-Bénard. A notre connaissance, c’est la première fois que l’écoulement de convection de type Poiseuille-Rayleigh-Bénard associé aux effets Marangoni est étudié. Le nombre et la distribution spatiale des rouleaux convectifs le long du canal dépendent des conditions de l’écoulement. Nous proposons une étude numérique pour ces conditions particulières d’écoulement pouvant conduire à des instabilités avec une évaluation de leur effet sur les transferts de chaleur. Les équations de Navier-Stokes et de l’énergie sont résolues numériquement par la méthode de volumes finis en prenant en compte les effets thermocapillaires. Les résultats présentés concernent l’influence des paramètres contrôlant l’écoulement (nombres de Reynolds, de Rayleigh, de Biot, de Marangoni et le rapport de forme) sur les motifs de l’écoulement et les échanges thermiques. Dans une seconde partie du travail, complémentaire à la première, une analyse de stabilité linéaire de l’écoulement dans un canal ouvert à surface libre d’extension latérale infinie est réalisée en utilisant la méthode spectrale de type collocation Chebyshev pour résoudre un système aux valeurs propres. Les diagrammes de stabilité déterminant les seuils des paramètres conduisant à l’instabilité thermoconvective ont été obtenus et analysés, ainsi que les structures spatiales associées. / Several studies both numerical and experimental have reported the presence of thermal instabilities in liquid films uniformly heated from below for specific boundary conditions and flows. The presence of these instabilities modifies the associated heat transfer. The subject of this PhD thesis is to study numerically the instability of three-dimensional laminar mixed convection within a liquid flowing on a horizontal channel heated uniformly from below. The upper surface is free and assumed to be flat. The variations of the surface tension with the temperature (Marangoni effect or thermocapillary effect) are taken into account. Although of great interest for many industrial applications, this problem has received little attention from an academic point of view. In this configuration, several types of thermoconvective structures may appear. When the strength of the buoyancy, thermocapillary effects and forced convective currents are comparable, the results show the development of instabilities in the form of steady longitudinal convective rolls similar to those encountered in the Poiseuille-Rayleigh-Bénard flow. To our knowledge, this is the first time that the Poiseuille-Rayleigh-Bénard flow associated to the Marangoni effects has been investigated. The number and spatial distribution of the convective rolls along the channel depend on the flow conditions. We propose a numerical study on the flow conditions that could lead to thermal instabilities with an evaluation of their effect on the heat transfer. The coupled Navier-Stokes and energy equations are solved numerically by the finite volume method taking into account the thermocapillary effects. The results presented concern the influence of several control parameters (the Reynolds, Rayleigh, Biot and Marangoni numbers and the aspect ratio of the channel) on the flow patterns and heat transfer characteristics. In the second part of this work, complimentary to the first, a linear stability analysis of a horizontal liquid film flowing in an open channel, with infinite lateral extension and uniform heating from below, is carried out. An eigenvalue problem is obtained in the course of this analysis which is solved numerically using the Chebyshev collocation spectral method. The stability diagrams determining the threshold parameters leading to thermoconvective instabilities were obtained and analyzed as well as the associated spatial patterns.

Cette thèse présente une étude expérimentale sur l'évaporation de gouttes reposant sur un substrat solide. Dans une première partie, nous nous sommes intéressés à la description de l'évaporation d'une goutte liquide en regardant notamment l'influence du substrat. Le problème est approché sous un angle nouveau : en contrôlant avec précision les différentes propriétés du substrat que sont sa rugosité, son énergie de surface et ses propriétés thermiques. Cette méthode a permis de découpler les différentes influences du substrat et d'étudier l'évaporation pour différentes dynamiques de ligne triple et une large gamme d'angles de contact, de conductivités thermiques et de températures de substrat. Les résultats expérimentaux sont comparés au modèle classique d'évaporation. Ce modèle considère l'évaporation comme un processus contrôlé par la diffusion de la vapeur dans l'atmosphère. L'étude révèle les domaines de validité de ce modèle et met en évidence les différents mécanismes additionnels pouvant se développer ainsi que leur contribution. L'utilisation d'une caméra infrarouge dévoile le développement d'un motif hydrodynamique complexe non-axisymétrique. L'origine de cette instabilité, ces dynamiques spatiales et temporelles sont également explorées. Dans une seconde partie, l'étude a été étendue à l'évaporation d'une goutte de suspension biologique : le sang. Le séchage de ce fluide conduit à la formation d'un motif complexe dépendant de la mouillabilité du substrat. Alors qu'une situation mouillante met en évidence un dépôt de type annulaire accompagné de fractures radiales, une situation non-mouillante révèle une forme complexe composée de fractures et de plis. / This thesis presents an experimental study on the evaporation of droplets on a solid substrate. In the first part we describe the evaporation of a liquid droplet, taking a particular interest in the influence of the substrate. The problem is approached from a new angle by ensuring that the various properties of the substrate, such as its roughness, surface energy and thermal properties, are controlled precisely. Thanks to this method it is possible to decouple the different influences of the substrate and to study evaporation in relation to various dynamics of triple lines and a wide range of contact angles, thermal conductivities and temperatures of the substrate. Experimental results are compared with the classic evaporation model, which considers evaporation as a process determined by the diffusion of vapor into the atmosphere. The study reveals the range of validity of this model and highlights the different additional mechanisms which may develop as well as their contribution. The use of an infrared camera reveals the development of a complex hydrodynamic non-axisymmetric pattern. The origin of this instability and its spatial and temporal dynamics are also explored. In the second part, the study is extended to the evaporation of a dropl of a biological suspension: human blood. As this fluid dries a complex pattern is formed which is dependent on the wettability of the substrate. Whereas a wetting situation leads to a ring-like deposit with radial cracks, a non-wetting situation reveals a complex shape composed of cracks and folds. The study focuses on the understanding of the physical mechanisms leading to these patterns and of the role of biology.

A numerical code for solving the time-dependent incompressible 3D Navier-Stokes equations with finite volumes on overlapping staggered grids in cylindrical and rectangular geometry is developed. In the code, written in FORTRAN, the momentum equation for the velocity is solved by projection method and Poisson equation for the pressure is solved by ADI implicit method in two directions combined with discrete fast Fourier transform in the third direction. A special technique for overcoming the singularity on the cylinder's axis is developed. This code, taking into account dependence upon temperature of the viscosity, density and surface tension of the liquid, is used to study the fluid motion in a cylinder with free cylindrical surface (under normal and zero-gravity conditions); and in a rectangular closed cell with a source of thermocapillary convection (bubble inside attached to one of the cell's faces). They are significant problems in crystal growth and in general experiments in fluid dynamics respectively. Nevertheless, the main study is dedicated to the liquid bridge problem.<p><p>The development of thermocapillary convection inside a cylindrical liquid bridge is investigated by using a direct numerical simulation of the 3D, time-dependent problem for a wide range of Prandtl numbers, Pr = 0.01 - 108. For Pr > 0.08 (e.g. silicon oils), above the critical value of temperature difference between the supporting disks, two counter propagating hydrothermal waves bifurcate from the 2D steady state. The existence of standing and traveling waves is discussed. The dependence of viscosity upon temperature is taken into account. For Pr = 4, 0-g conditions, and for Pr = 18.8, 1-g case with unit aspect ratio an investigation of the onset of chaos was numerically carried out. <p><p>For a Pr = 108 liquid bridge under terrestrial conditions ,the appearance and the development of thermoconvective oscillatory flows were investigated for different ambient conditions around the free surface.<p><p>Transition from 2D thermoconvective steady flow to a 3D flow is considered for low-Prandtl fluids (Pr = 0.01) in a liquid bridge with a non-cylindrical free surface. For Pr < 0.08 (e.g. liquid metals), in supercritical region of parameters 3D but non-oscillatory convective flow is observed. The computer program developed for this simulation transforms the original non-rectangular physical domain into a rectangular computational domain.<p><p>A study of how presence of a bubble in experimental rectangular cell influences the convective flow when carrying out microgravity experiments. As a model, a real experiment called TRAMP is numerically simulated. The obtained results were very different from what was expected. First, because of residual gravity taking place on board any spacecraft; second, due to presence of a bubble having appeared on the experimental cell's wall. Real data obtained from experimental observations were taken for the calculations.<p> / Doctorat en sciences appliquées / info:eu-repo/semantics/nonPublished

In this study, thermocapillary-driven convection around a gas bubble under a horizontal heated wall is experimentally investigated under gravitational conditions. The thermocapillary convective flow under conditions beyond the laminar steady state towards turbulent flow is explored in detail. Generally, Marangoni convection is more critical and important under microgravity conditions rather than on earth. Under low gravity, this surface tension induced flow can dictate both heat and mass transfer processes. Thus, thermocapillary convection should be considered by manufacturers during material production processes in space. Moreover, temperature gradients can be purposefully used to eliminate or move bubbles or drops suspended in liquid materials. In addition to that, thermocapillary convective flow appears in many other applications like manufacturing of single-walled carbon nanotubes and mono crystal production, to mention only few examples. Researchers have always seen Marangoni convection as an interesting topic for both numerical and experimental studies. Regarding the configuration of the injected gas bubble under a horizontal heated wall, this physical problem is mainly characterized by a dimensionless number that represents the ratio of convective heat flow induced by capillary convection to the heat transfer due to conduction which is termed Marangoni number (Mg). The past decade has seen different approaches to describe the flow behaviour at high Marangoni numbers. The thermocapillary flow has been mainly investigated and categorized regarding a stable laminar behaviour and a non-laminar one, which is characterized by periodic or non-periodic oscillations. Through previous studies, the point of the transition of the thermocapillary flow from the periodic oscillatory zone to the non-periodic one has been well investigated. However, there is a lack of information about this non-periodic behaviour at very high temperature gradients. Therefore, in the current study, our experimental investigations focus mainly on exploring different factors affecting the non-periodicity of the Marangoni convection and on explaining how this flow behaves under conditions above the transitional Marangoni number (Mg tran ). The experimental work was launched using a PIV technique and shadowgraphy. In addition to that, temperature measurements at different locations in the matrix fluid around the air bubble were conducted to determine the undisturbed temperature gradients at different boundary conditions. The transient observation of both velocity and temperature measurements at locations near the bubble allowed deeper insight in the behaviour of the thermocapillary bubbleconvection. Moreover, through shadowgraphy, a qualitative evaluation of the fluid flow periodicity around the gas bubble was achieved. The implementation of experiments inside a pressure chamber under gauge pressure conditions formed a novel methodology to enable us conducting experiments under higher temperature gradients in order to reach high Marangoni numbers. The thermocapillary bubble convection was categorized into laminar, periodic oscillatory, and non-periodic oscillatory flow. The periodic fluid flow oscillations were categorized in symmetric and asymmetric ones depending on the different applied boundary conditions. The non-periodic fluid flow oscillations around the gas bubble were also achieved at high temperature gradients for different bubble aspect ratios. We proved that for every bubble size, the non-periodic oscillatory state of the fluid flow around the gas bubble undergoes four different modes (A-D). The last one (phase D) is a developed turbulent state starting at Mg- numbers of 75000 for the smallest bubble aspect ratio of 1.2 up to the maximal measured Mg- number of 140000 for a bubble aspect ratio of 2.3. Hence, turbulent thermocapillary bubble convection was realized and studied in our experimental configuration. Moreover, the thermocapillary flow driving velocities at the bubble periphery were measured at different boundary conditions. This study clearly demonstrates that it is the high magnitude of the driving velocity that initiates the interactions between thermocapillary flow vortices leading finally to a highly developed oscillation mode (turbulent state) and that buoyancy plays a secondary role in the described flow configuration.:1 INTRODUCTION 2 LITERATURE REVIEW 3 EXPERIMENTAL SETUP AND METHODOLOGY 4 RESULTS AND DISCUSSION 5 CONCLUSIONS AND RECOMMENDATIONS / In dieser Arbeit wird die thermokapillare Konvektion um eine Gasblase unter einer horizontal beheizten Wand unter Gravitationsbedingungen experimentell untersucht. Diese thermokapillare konvektive Strömung jenseits des laminaren stationären Zustands in Richtung turbulenter Strömung steht in dieser Arbeit im Fokus. Im Allgemeinen ist die Marangoni-Konvektion unter Schwerelosigkeitsbedingungen kritischer und wichtiger als auf der Erde. Unter geringen Schwerkraftkräften kann diese durch Oberflächenspannung induzierte Strömung sowohl Wärme- als auch Stoffübergangsprozesse maßgeblich bestimmen. Daher sollte die thermokapillare Konvektion bei Materialproduktionsprozessen im Weltraum berücksichtigt werden. Darüber hinaus können Temperaturgradienten gezielt angewendet werden, um in flüssigen Materialien suspendierte Blasen oder Tropfen zu entfernen oder zu bewegen. Außerdem tritt thermokapillare Strömung in vielen anderen Anwendungen auf, beispielsweise bei der Herstellung von einwandigen Kohlenstoffnanoröhren oder der Herstellung von Einkristallen, um nur einige Beispiele zu nennen. Forscher haben die Marangoni-Konvektion immer als ein wichtiges und interessantes Thema für numerische und experimentelle Studien betrachtet. In Bezug auf die Konfiguration der injizierten Blase unter einer horizontal beheizten Wand wird dieses physikalische Problem hauptsächlich durch eine dimensionslose Kennzahl, die das Verhältnis des durch Kapillarkonvektion induzierten konvektiven Wärmeübertragungs zur Wärmeübertragung durch Leitung darstellt und als Marangoni-Zahl (Mg) bezeichnet wird, definiert. In den letzten Jahrzehnten wurden verschiedene Ansätze zur Beschreibung des Strömungs-Verhaltens bei höheren Marangoni-Zahlen verfolgt. Dabei wurde die Thermokapillarströmung grundsätzlich in ein stabiles laminares und ein nicht laminares (oszillierendes) Verhalten, das durch periodische oder nicht periodische Geschwindigkeit- und Temperatur-Fluktuationen gekennzeichnet ist, eingeteilt. Durch frühere Studien wurde das Regime des Übergangs des thermokapillaren Verhaltens von der periodischen Schwingungszone zur nichtperiodischen gut untersucht. Es fehlen jedoch immer noch detaillierte Informationen über das nichtperiodische Verhalten bei sehr hohen Temperaturgradienten. Daher konzentrieren sich unsere experimentellen Untersuchungen in der vorliegenden Studie hauptsächlich auf die Untersuchung verschiedener Faktoren, die die Nichtperiodizität der konvektiven Thermokapillarströmung beeinflussen, und auf eine Klärung, wie sich diese Strömung unter verschiedenen Randbedingungen über der kritischen Marangoni-Zahl (Mg c ) verhält.Die experimentelle Arbeit wurde sowohl mit einer PIV-Technik als auch mit der Shadowgraph- Technik durchgeführt. Darüber hinaus waren Temperaturmessungen auf Sensorbasis an verschiedenen Stellen in der verwendeten Flüssigkeit um die Luftblase geeignet, um die ungestörten Temperaturgradienten bei verschiedenen Randbedingungen zu bestimmen. Die zeitabhängige Messung sowohl von Geschwindigkeiten als auch von Temperaturen an Orten in der Nähe der Blase lieferte Informationen über das Verhalten der Konvektion der thermokapillaren Strömung. Darüber hinaus wurde durch die Shadowgraph-Technik eine qualitative Bewertung der Fluidströmungsperiodizität um die Blase ermöglicht. Die Durchführung von Experimenten in einer Druckkammer unter Überdruck-Bedingungen bildet eine neuartige Methode, um solche Experimente unter höheren Temperaturgradienten durchzuführen und höhere Marangoni-Zahlen zu erreichen. Die thermokapillare Blasenkonvektion wurde in dieser Arbeit in laminaren stetigen Flüssigkeitsströmungen, periodischen und nichtperiodischen oszillierenden Flüssigkeitsströmungen eingeteilt. Die periodischen Fluidströmungsschwingungen wurden in Abhängigkeit von unterschiedlichen Randbedingungen in symmetrische und asymmetrische eingeteilt. Die nichtperiodischen Strömungsoszillationen um die Gasblase wurden auch bei hohen Temperaturgradienten für verschiedene Blasenaspektverhältnisse erreicht. Wir konnten zeigen, dass für jede Blasengröße der nichtperiodische Schwingungszustand der Strömung um die Gasblase vier verschiedene Modi (A-D) besitzen kann. Die letzte (Phase D) ist ein hoch entwickelter turbulenter Zustand, der bei Mg-Zahlen von 75000 für das kleinste Blasenaspektverhältnis von 1,2 bis zur maximal gemessenen Mg-Zahl von 140000 für das Blasenaspektverhältnis von 2,3 beginnt. Der ausgebildete turbulente Zustand der thermokapillaren Strömung konnte mit unserer experimentellen Konfiguration erstmalig erreicht werden. Darüber hinaus konnten die Antriebsgeschwindigkeiten der thermokapillaren Strömung an der Peripherie der Blase bei verschiedenen Randbedingungen gemessen werden. Diese Studie zeigt deutlich, dass es die Höhe der Antriebsgeschwindigkeit ist, welche die Wechselwirkungen zwischen thermokapillaren Strömungswirbeln unterschiedlicher Größe antreibt, die schließlich zu chaotischen Schwingungen der im Folgenden beschriebenen Grenzlinie führen. Diese Studie zeigt auch, dass die Auftriebskonvektion in der beschriebenen Strömungskonfiguration eine untergeordnete Rolle spielt.:1 INTRODUCTION 2 LITERATURE REVIEW 3 EXPERIMENTAL SETUP AND METHODOLOGY 4 RESULTS AND DISCUSSION 5 CONCLUSIONS AND RECOMMENDATIONS

In this work, the mesh-free smoothed particle hydrodynamics (SPH) method is applied in the modelling of the direct laser interference patterning (DLIP) of metal surfaces. The DLIP technique allows the fabrication of periodic microstructures on technical surfaces using nanosecond laser pulses. Here, the interference of two coherent partial beams with a sinusoidal energy density distribution of the interference pattern is concerned, which is employed to generate line-like surface structures. However, the mechanisms effective during nanosecond pulsed DLIP of metals are not yet fully understood. The physical phenomena occurring due to the interaction of laser radiation with metallic materials are first considered and the governing differential equations are stated. The fundamentals of the SPH method and the approaches to the numerical treatment of the conservation equations are presented. Physical processes relevant to the modelling of laser material processing are solved by suitable SPH techniques, i.e. the approximations are verified with respect to test problems with analytical or known numerical solutions. Consequently, the SPH method is used to devise a thermal model of the DLIP process, considering the absorption of the laser radiation, the heat conduction into the workpiece and the latent heat of involved phase changes. This model is extended to compute the melt pool convection during DLIP, which is driven by surface tension gradients due to temperature gradients. For this purpose, an incompressible SPH (ISPH) method is used, representing a novel approach to the modelling of the laser-induced melt pool flow. The numerical model is employed to perform simulations of DLIP on metal substrates. Firstly, the thermal simulation of the single pulse patterning of stainless steel is in good agreement with experimental results. The application of DLIP to stainless steel and aluminium is then simulated by the comprehensive model including the melt pool flow. Moreover, this model is further extended to consider the non-linear temperature dependence of surface tension, as in liquid steel in the presence of a surface active element. The simulation results reveal a distinct behaviour of stainless steel and aluminium substrates. A markedly deeper melt pool and considerable velocity magnitudes of the thermocapillary convection at the melt surface are computed for DLIP of aluminium. In contrast, the melt pool flow is less pronounced during DLIP of stainless steel, whereas higher surface temperatures are predicted. Hence the Marangoni convection is a conceivable effective mechanism during the structuring of aluminium at moderate energy density. The different character of the melt pool convection during DLIP of stainless steel and aluminium is corroborated by experimental observations. Furthermore, the simulations for stainless steel with different sulphur content indicate distinct melt pool flow patterns and support the explanation of the microstructures found after DLIP experiments. The role of vapourisation and the induced recoil pressure in the microstructure evolution due to DLIP on metal substrates at elevated fluences could be prospectively investigated. In this regard, the consideration of the melt pool surface deformation in the ISPH algorithm, and particularly a suitable pressure boundary condition, is required.:I The research problem 1 Motivation 2 Modelling of laser material processing 2.1 Interaction of laser radiation with materials 2.1.1 Absorption of laser radiation 2.1.2 Heat conduction and phase change 2.1.3 Molten pool convection 2.1.4 Vapourisation regime 2.2 Mathematical modelling of laser material interaction 2.2.1 Conservation equations in Lagrangian formulation 2.2.2 Influence of surface tension 3 State of the art in laser microprocessing and the SPH method 3.1 Laser microprocessing 3.2 Simulation of direct laser interference patterning 3.3 The mesh-free smoothed particle hydrodynamics method 3.3.1 Fundamental approximations and kernel function 3.3.2 Particle distribution and interaction length 3.3.3 Approximation of derivatives 3.3.4 Treatment of boundaries 3.3.5 Neighbourhood search 3.4 Numerical modelling of laser material processing by SPH II SPH model development for direct laser interference patterning 4 SPH modelling of heat transfer and fluid flow 4.1 Solution of the heat diffusion equation 4.2 Formulation of equations governing fluid flow 4.2.1 Equation of continuity 4.2.2 Approximation of pressure gradient term 4.2.3 Treatment of viscosity 4.3 Weakly compressible SPH method for solving fluid flow 4.3.1 Particle motion 4.3.2 Time integration 4.3.3 Time step criteria 4.4 Incompressible SPH method for solving fluid flow 4.4.1 Time integration 4.4.2 Discrete incompressible SPH algorithm 4.4.3 Time step criteria 4.5 Simulation of thermal fluid flow using ISPH 4.5.1 Semi-implicit time integration 4.5.2 Solution of the pressure Poisson equation 5 Verification of the SPH implementation 5.1 Transient heat conduction in laser-irradiated plate 5.1.1 Problem description 5.1.2 Dimensionless formulation 5.1.3 Numerical solution and results 5.2 Viscous flow 5.2.1 Couette flow 5.2.2 Poiseuille flow 5.3 Thermal convection 5.3.1 Natural convection in a square cavity 5.3.2 Rayleigh--Marangoni--Bénard convection in liquid aluminium 6 SPH model of direct laser interference patterning 6.1 Characteristics of the process 6.2 Thermal model 6.2.1 Non-dimensionalisation 6.2.2 Numerical solution of governing equation 6.2.3 Verification of the computation 6.2.4 Numerical test 6.3 Thermofluiddynamic model 6.3.1 Non-dimensionalisation 6.3.2 Numerical solution of governing equations 6.3.3 Discretisation 6.3.4 Resolution independence study 7 SPH simulation of direct laser interference patterning 7.1 Thermal model 7.1.1 DLIP experiments on stainless steel substrates 7.1.2 Thermal simulation of DLIP on steel substrate 7.2 Thermofluiddynamic model 7.2.1 Material properties and simulation parameters 7.2.2 Numerical results for steel substrate 7.2.3 Numerical results for aluminium substrate 7.2.4 Discussion and comparison with experiments 7.3 Extended thermofluiddynamic model 7.3.1 Model parameters 7.3.2 Influence of sulphur content on DLIP of stainless steel 8 Conclusions and outlook Bibliography / In dieser Arbeit wird die direkte Laserinterferenzstrukturierung (Direct Laser Interference Patterning, DLIP) von Metallen mit der netzfreien Smoothed Particle Hydrodynamics (SPH) Methode modelliert. Das DLIP-Verfahren ermöglicht die Fertigung periodischer Mikrostrukturen auf technischen Oberflächen mit Nanosekunden-Laserpulsen. Hier wird die Zweistrahlinterferenz mit einer sinusförmigen Energiedichteverteilung des Interferenzmusters behandelt, die linienförmige Oberflächenstrukturen erzeugt. Die bei der direkten Interferenzstrukturierung von Metallen mit Nanosekunden-Laserpuls wirksamen Mechanismen sind jedoch noch nicht verstanden. Die aufgrund der Wechselwirkung von Laserstrahlung mit metallischen Werkstoffen auftretenden physikalischen Phänomene werden zuerst betrachtet und die sie bestimmenden Differentialgleichungen angegeben. Die Grundlagen der SPH-Methode sowie deren Herangehensweisen an die numerische Behandlung der Erhaltungsgleichungen werden vorgestellt. Für die Modellierung der Lasermaterialbearbeitung relevante physikalische Vorgänge werden mittels geeigneter SPH-Ansätze gelöst, d. h. anhand von Testproblemen mit bekannter Lösung verifiziert. Das mit SPH zunächst erstellte thermische Modell des DLIP-Prozesses berücksichtigt die Absorption der Laserstrahlung, die Wärmeleitung im Werkstück und die Enthalpien der Phasenübergänge. Das Modell wird zur Berechnung der Schmelzbadströmung bei der DLIP-Anwendung, angetrieben von Oberflächenspannungsgradienten verursacht durch Temperaturgradienten, erweitert. Hierbei wird eine inkompressible SPH (ISPH) Methode eingesetzt, in der Simulation laserinduzierter Schmelzbäder ein neuartiger Ansatz. Mit dem numerischen Modell werden Simulationen des DLIP-Verfahrens für metallische Substrate durchgeführt. Die thermische Simulation der Strukturierung von Edelstahl stimmt gut mit einem Experiment überein. Weiterhin wird die Anwendung von DLIP auf Edelstahl und Aluminium mit dem thermofluiddynamischen Modell simuliert. Außerdem wird das Modell um eine nichtlinear temperaturabhängige Oberflächenspannung, wie sie für Stahlschmelze in Anwesenheit eines oberflächenaktiven Elements vorliegt, ergänzt. Die Simulationen zeigen ein verschiedenes Verhalten von Edelstahl und Aluminium. Bei der Strukturierung von Aluminium treten ein deutlich tieferes Schmelzbad und erhebliche Geschwindigkeitsbeträge der thermokapillaren Konvektion an der Schmelzeoberfläche auf. Hingegen ist die Strömung bei der DLIP-Anwendung auf Edelstahl schwächer ausgeprägt und höhere Oberflächentemperaturen werden erreicht. Die Marangoni-Konvektion ist daher ein wirksamer Schmelzeverdrängungsmechanismus bei der Strukturierung von Aluminium mit moderater Energiedichte. Die unterschiedliche Schmelzbadströmung für die beiden Werkstoffe wird durch experimentelle Beobachtungen bestätigt. In Abhängigkeit des Schwefelgehalts von Edelstahl zeigen Simulationen verschiedene Strömungsmuster im Schmelzbad und unterstützen die Erklärung experimentell festgestellter Mikrostrukturen. Die Untersuchung der Wirkung der Verdampfung und des induzierten Rückstoßdruckes auf die Strukturausbildung bei höheren Fluenzen erfordert die Berücksichtigung der Oberflächendeformation sowie eine geeignete Druckrandbedingung im ISPH-Algorithmus.:I The research problem 1 Motivation 2 Modelling of laser material processing 2.1 Interaction of laser radiation with materials 2.1.1 Absorption of laser radiation 2.1.2 Heat conduction and phase change 2.1.3 Molten pool convection 2.1.4 Vapourisation regime 2.2 Mathematical modelling of laser material interaction 2.2.1 Conservation equations in Lagrangian formulation 2.2.2 Influence of surface tension 3 State of the art in laser microprocessing and the SPH method 3.1 Laser microprocessing 3.2 Simulation of direct laser interference patterning 3.3 The mesh-free smoothed particle hydrodynamics method 3.3.1 Fundamental approximations and kernel function 3.3.2 Particle distribution and interaction length 3.3.3 Approximation of derivatives 3.3.4 Treatment of boundaries 3.3.5 Neighbourhood search 3.4 Numerical modelling of laser material processing by SPH II SPH model development for direct laser interference patterning 4 SPH modelling of heat transfer and fluid flow 4.1 Solution of the heat diffusion equation 4.2 Formulation of equations governing fluid flow 4.2.1 Equation of continuity 4.2.2 Approximation of pressure gradient term 4.2.3 Treatment of viscosity 4.3 Weakly compressible SPH method for solving fluid flow 4.3.1 Particle motion 4.3.2 Time integration 4.3.3 Time step criteria 4.4 Incompressible SPH method for solving fluid flow 4.4.1 Time integration 4.4.2 Discrete incompressible SPH algorithm 4.4.3 Time step criteria 4.5 Simulation of thermal fluid flow using ISPH 4.5.1 Semi-implicit time integration 4.5.2 Solution of the pressure Poisson equation 5 Verification of the SPH implementation 5.1 Transient heat conduction in laser-irradiated plate 5.1.1 Problem description 5.1.2 Dimensionless formulation 5.1.3 Numerical solution and results 5.2 Viscous flow 5.2.1 Couette flow 5.2.2 Poiseuille flow 5.3 Thermal convection 5.3.1 Natural convection in a square cavity 5.3.2 Rayleigh--Marangoni--Bénard convection in liquid aluminium 6 SPH model of direct laser interference patterning 6.1 Characteristics of the process 6.2 Thermal model 6.2.1 Non-dimensionalisation 6.2.2 Numerical solution of governing equation 6.2.3 Verification of the computation 6.2.4 Numerical test 6.3 Thermofluiddynamic model 6.3.1 Non-dimensionalisation 6.3.2 Numerical solution of governing equations 6.3.3 Discretisation 6.3.4 Resolution independence study 7 SPH simulation of direct laser interference patterning 7.1 Thermal model 7.1.1 DLIP experiments on stainless steel substrates 7.1.2 Thermal simulation of DLIP on steel substrate 7.2 Thermofluiddynamic model 7.2.1 Material properties and simulation parameters 7.2.2 Numerical results for steel substrate 7.2.3 Numerical results for aluminium substrate 7.2.4 Discussion and comparison with experiments 7.3 Extended thermofluiddynamic model 7.3.1 Model parameters 7.3.2 Influence of sulphur content on DLIP of stainless steel 8 Conclusions and outlook Bibliography

Two and three-phase flow processes involving gas, liquid and solid, are common in nature and industry, and include some of the most complex and poorly-understood transport problems. In this research hydrodynamics, heat and mass transfer processes in complex two and three-phase flows were investigated. The interfacial surface area concentration in a short vertical column subject to the through flow of fiber-liquid-gas slurry was experimentally measured using the gas absorption technique. The experimental data were statistically analyzed for parametric effects, and were empirically correlated. The absorption of a gaseous species by a slurry droplet with internal circulation and containing reactive micro-particles was simulated, and parametrically studied. The micro-particles were found to enhance the absorption rate. The absorption rate was sensitive to droplet recirculation, and shrinkage of particles with time resulted in declining absorption rates. The transport of soot particles, suspended in laminar hot gas flowing in a tube, was modeled and parametrically studied. Due to coupled thermal radiation and thermophoresis, a radially-nonuniform temperature profile develops, leading to sharp, non-uniform radial soot-concentration profiles. The assumption of monodisperse particles leads to over-prediction of thermophoresis. The transport and removal of particles suspended in bubbles rising in a stagnant liquid pool were modeled based on a Eulerian – Monte Carlo method. The bubble hydrodynamics were treated in Eulerian frame, using the Volume-of-Fluid (VOF) technique, while particle equations of motion were numerically solved in Lagrangian frame. The bubbles undergo shape change, and have complex internal circulation, all of which influence the particle removal. Model predictions were also compared with experimental data. Using a resemblance between two-phase flow in microchannels, and in large channels at microgravity, a simple Weber number-based two-phase flow regime map was developed for microchannels. Based on the available air-water experimental data, a criterion for the prediction of conditions that lead to flow regime transition out of the stratified-wavy flow pattern in horizontal annular channels was proposed. The thermocapillary effects on liquid-vapor interface shape during heterogeneous bubble ebullition in microchannels were analytically studied.