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Smart thermal management by which ultra-high heat fluxes (i.e., q''> 100 W/cm²) are dissipated efficiently, is increasingly desirable for many applications in aerospace, electronic packaging, metallurgy, as the existing cooling solutions are highly constrained. For example, the cooling strategy for aircraft must be executed in such a way that will operate independently of orientation while also screen out external heat loads coming from the neighboring electronic boxes and/or external sources. Therefore, it is crucial to develop heat transfer devices which could effectively dump heat away while additionally shield against external heat loads. Thermal diodes, by definition, accomplish this desirable unidirectional heat transfer functionality. Nonetheless, the existing thermal diodes are currently constrained by either a low diodicity (i.e., heat transfer ratio), gravitational dependence, a one-dimensional configuration, or poor durability. Further example for the necessity of smart thermal management would be in firefighting and nuclear reactor safety. Above a critical temperature referred to as the ``Leidenfrost temperature'', the highly effective nucleate boiling is completely replaced by insulating film boiling, causing a dramatic decrease in the essential cooling rate of water pool boiling and spray quenching. In chapter 2, after noting the mechanism and shortcomings of each existing solid-state and phase-change thermal diode, we develop a unique thermal diode, called bridging-droplet thermal diode, which operates independent of orientation, is planar and durable. Our diode is comprised of two opposing copper plates separated by an insulating gasket of micrometric thickness; one plate contains a superhydrophilic wick structure while the other is smooth and hydrophobic. In the forward mode of operation, water evaporates from the heated wicked plate and condenses on the opposing hydrophobic plate. The large contact angle of the dropwise condensate enables bridging across the gap to replenish the wicked evaporator, providing sustained phase-change heat transfer. Conversely, in the reverse mode the heat source is now on the hydrophobic plate, resulting in dryout and excellent thermal insulation across the gap. An orientation-independent heat transfer ratio (i.e. diodicity (η)) of approximately 85 was experimentally measured. In chapter 3, after highlighting that our experimental proof-of-concept discussed in chapter 2, was limited to only a narrow parameter space, we develop a comprehensive thermal circuit model for both the forward and reverse modes of operation to theoretically characterize the bridging-droplet thermal diode over a broad parameter space. Parameters that are varied include the gap height, input heat flux, effective thermal conductivity of the wetted wick structure, height of the wicking micropillars, wettability of the opposing smooth surface, and heat sink temperature. Our findings show that a vapor space height of Hᵥ≈ 250 μm, short and densely packed micropillars, a higher applied heat flux in the forward mode, and a hotter heat sink temperature result in optimal diodicities of η~ 100. In chapter 4, we discuss that the Leidenfrost effect has been a two-phase phenomenon thus far: either an evaporating liquid or a sublimating solid levitates on its vapor. Here, we demonstrate that an ice disk placed on a sufficiently hot surface exhibits a three-phase Leidenfrost effect, where both liquid and vapor films emanate from under the levitating ice. Curiously, the critical Leidenfrost temperature was over three times hotter for ice than for a water drop. As a result, the effective heat flux was an order of magnitude larger when quenching aluminum with ice rather than water over a wide temperature range of 150--550 °C. An analytical model reveals the mechanism for the delayed film boiling: the majority of the surface's heat is conducted across the levitating meltwater film due to its 100 °C temperature differential, leaving little heat for evaporation. In chapter 5, we note that nucleate boiling achieves dissipative heat fluxes as high as q''~ 100 W/cm² and is widely used for power plants, spray quenching metal alloys, desalination, and electronics cooling. However, above a Leidenfrost temperature of about 150 °C for water, an insulating vapor film massively degrades the heat flux by two orders of magnitude. Here, we demonstrate that robust nucleate boiling can be maintained even at temperatures as high as 400 °C by using ice particles in place of water droplets. Ice pellets are periodically released onto a superheated stage and compared to spray quenching at an equivalent mass flow rate. Ice quenching was twice as fast as spray quenching at low superheats, and at large superheats, only ice quenching is successful. Our results demonstrate that ice quenching can maintain groundbreaking heat fluxes of q''~ 100--1,000,W/cm² over a broad range of superheats, far superior than classical spray quenching. / Doctor of Philosophy / Smart thermal management by which enormous heat generated in avionics, electronic packaging, wildfire, etc are removed efficiently, is increasingly desirable as the current cooling solutions are highly constrained. For example, in the context of aircraft, equipment must be cooled down independent of aircraft orientation while also they are shielded from neighboring and/or external heat sources. In firefighting where the temperature of wildfire flames could get beyond 500 °C, dumping large volume of water from aircraft may not be adequate to quench the fire over a reasonable time frame as the liquid water loses its cooling effectiveness above a critical temperature. In chapter 2, after a brief review of existing cooling devices and their corresponding shortcomings commonly used in aircraft and electronic packaging, we develop a unique device for cooling of aircraft which operates independent of aircraft orientation, is durable over time, and can cool down surfaces irrespective of their dimensions. In chapter 3, after highlighting that our proof-of-concept of a new cooling device in chapter 2, was limited to only a finite number of experiments, we theoretically model the operating mechanism of our device to check for the criteria where our device works most efficient. In chapter 4, we discover that by placing an ice disk on a sufficiently hot surface, effective boiling where large amount of heat can be dumped away from the surface to the coolant, is extended to a very large surface temperature. To be specific, liquid water on smooth aluminum loses its cooling efficiency around 150 °C, while cooling the same surface with ice is still effective up to 550 °C. In chapter 5, we report that quenching with ice is twice as fast as quenching with liquid water at low surface temperatures (i.e., 150--300 °C), and at larger surface temperatures (i.e., beyond 300 °C), only ice quenching is successful. Comparing our ice quenching results against current cooling technologies, we note that ice quenching is superior.

Spontaneous expulsion of various forms and types of matter from their solid substrates has always been an integral part of interfacial physics problems. A thorough understanding of such interactions between a solid surface and different soft materials not only expands our theoretical knowledge, but also has applications in self-cleaning, omniphobic surfaces and phase-change heat transfer. Although there is a renewed interest in the design of robust functional surfaces which can passively remove highly viscous liquids or dew, or retard ice accretion or frost formation, the physics of several dewetting and/or deicing mechanisms are yet to be fully understood. Even though we know how jumping-droplet condensation offers significantly better heat transfer performance than regular dropwise condensation and can liberate foreign particles, fundamental questions on the effect of surface orientation on jumping-droplet condensation or how it helps in large-scale fungal disease epidemic in plants are still unanswered. Thus, we first try to fill the knowledge gap in jumping-droplet condensation by characterizing their orientation-dependence and their role in a large-scale pathogenic rust disease dissemination among wheat. Unfortunately, understanding of such dewetting mechanisms does not necessarily translates to prevention or removal of ice and frost on subzero surfaces. Use of superhydrophobic structures or hygroscopic materials to retard the growth of frost was found to be limiting. Therefore the search for an efficient, inexpensive, and environmentally favorable anti-icing or de-icing mechanism is still underway. Here we give a framework for making a novel de-icing construct by analyzing a peculiar jumping frost phenomena where frost particles spontaneously jump off the surface when a polar liquid is brought above. Lastly, we demonstrate a simple and cost-effective technique to design a slippery liquid-infused surface from low-density hydrocarbon-based polymers, which is able to effectively remove a wide variety of soft materials. The main all-encompassing theme of this dissertation is to enhance our understanding of several dewetting phenomena, which might enable better design and/or mitigation strategies to control the expulsion of various forms of matter from a wide variety of surfaces. / Doctor of Philosophy / A few years back, a laundry detergent company in India came up with a famous ad campaign; it showed kids coming home from school with dirt all over their clothes to face the wrath of their parents. Rather than casually disparaging their mischievousness, the ad would make us think with their tagline: "Agar daag (Lit. stain, Fig. mess) lagne se kuch achha hota hain, toh daag achhe hain na? (Fig. If something good comes out of a mess, is it a mess?)". While this presents to us an excellent philosophical conundrum, in reality, we always find ways to get rid of foreign materials from surfaces of everyday use. Using water or dirt-repellent coatings on our shoes/clothes/car windshields or in worst case, spending hours trying to clean frost off our cars is something we are all familiar with. Finding innovative ways to remove unwanted materials from surfaces is not limited to humans, but also exhibited by various natural organisms. The excellent water repellency of lotus leaves, antifogging abilities of mosquito eyes or cicada wings, and slipperiness of pitcher plants are just few examples of natural self-cleaning surfaces designed to keep foreign materials or dew droplets off the surface. Sometimes we take a leaf or two out of these natural designs to help our cause. Surfaces with extreme water repellency are called superhydrophobic (hydro: water, phobos: fear). For a long time, gravity was considered to be the only passive droplet removal mechanism on these surfaces. About ten years ago, researchers found out that when two or more small dew droplets come together on these surfaces, they jump off the surface. Compared to the gravity removal, much smaller droplets can be removed via this method resulting in better anti-fogging qualities and heat transfer performance on the surface. As the jumping droplet event itself is independent of gravity, it was long assumed that the performance of these surfaces would not be dependent on their orientation. These jumped droplets can also take off with contaminating particles by partially or fully engulfing them. A recent study has brilliantly showed how rust spores are liberated from the superhydrophobic wheat leaves via jumping dew droplets. This fundamentally new mode of pathogen transport is yet to be fully understood at the same scale as we know wind or rain-induced fungal spore transport. In this work, we try to fill the knowledge gap by answering questions such as whether the surfaces with the abilities of gravity-independent jumping-induced droplet removal ironically fail to gravity and how far can spore(s) travel engulfed in a jumped droplet. But it is not just water droplets (or particles collected by water droplets) on a surface that we want to get rid off. The solid phase of water, i.e., ice or frost, when formed on regular surfaces, is actually harder to remove. The common ice-preventing surfaces are generally unable to stop complete frost formation and forces us to use salt or other moisture attracting chemicals to remove ice from a surface, knowing very well what is the economic and environmental cost of these chemicals. Here, we have introduced a novel de-icing mechanism by holding only a drop of water over a sheet of frost. The simplicity of our experimental setup may remind you the home physics experiments we all did in our childhood. We finish our discussion by designing a slippery surface from regular polymer films used in food packaging. Although the idea behind these slippery surfaces has been around since 2011, polyethylene films have never been used to make such surfaces before. Here, we show through extensive characterization that by choosing a suitable lubricating oil and a polyethylene-based film, we can finally get all of our ketchup to slide out of their packets, without struggle. If the future design of superhydrophobic condensers, de-icing constructs, or slippery surfaces benefit from the work reported here, may be I can finally say with certainty, "Daag Achhe Hain (Dirt is good.)."

The dependency on fossil fuels faces resource limitations and sustainability concerns. This situation requires new strategies for greenhouse gas emission management and the development of new sources of energy. This thesis explores fundamental concepts related to carbon geological storage, including CO2-CH4 replacement in hydrate-bearing sediments. In particular it addresses the following phenomena: - Interfacial tension and contact angle in CO2-water-mineral and CH4-water-mineral systems. These data are needed to upscale pore phenomena through the sediment porous network, to define multiphase flow characteristics in enhanced gas recovery operations, and to optimize the injection and storage CO2 in geological formations. - Coupled processes and potential geomechanical implications associated to CH4-CO2 replacement in hydrate bearing sediments. Results include physical monitoring data gathered for CH4 hydrate-bearing sediments during and after CO2 injection. - Performance of cap rocks as trapping structures for CO2 injection sites. This study focuses on clay-CO2-water systems and CO2 breakthrough through highly compacted fine-grained sediments. Long term experiments help evaluate different sediments according to their vulnerability to CO2, predict the likelihood and time-scale of breakthrough, and estimate consequent CO2 leaks.

<p>  </p> <p>Cavitation, liquid slosh, and splashes are ubiquitous in science and engineering. However, these phenomena are not fully understood. Yet to date, we do not understand when or why sometimes the splash seals, and other times does not. Regarding cavitation, a high temporal resolution method is needed to characterize this phenomenon. The low temporal resolution of experimental data suggests a model-based analysis of this problem. However, high-fidelity models are not always available, and even for these models, the sensitivity of the model outputs to the initial input parameters makes this method less reliable since some initial inputs are not experimentally measurable. As for sloshing, the air-liquid interface area and hydrodynamic stress for the liquid slosh inside a confined accelerating cylinder have not been experimentally measured due to the challenges for direct measurement.</p>

Die Ladungsinjektion (-extraktion) an einer Schnittstelle spielt in der organischen Elektronik eine entscheidende Rolle, da sie die Leistung des Bauelements stark beeinflusst. Eine der effizientesten Methoden zur Optimierung der Energiebarrieren für die Injektion ist die Modifikation der Austrittsarbeit der Elektroden. In dieser Dissertation untersuchen wir die Modifikation der Austrittsarbeit von Au(111) durch dithiol-terminiertes Polyethylenglykol (PEG(thiol)) sowie deren Abhängigkeit von der Anzahl der PEG-Wiederholungseinheiten. In beiden Fällen beobachten wir, dass die Austrittsarbeit des Au(111) durch eine Monoschicht PEG(thiol)-Moleküle reduziert wird. Unsere Berechnungen zeigen, dass diese Änderung der Austrittsarbeit hauptsächlich durch (i) die Ladungsumlagerung aufgrund der Chemisorption und (ii) das intrinsische Dipolmoment der PEG(thiol)-Monoschicht verursacht wird. Die Größe des letzteren Beitrags hängt spürbar von der Anzahl der Wiederholungseinheiten ab und bewirkt somit eine Variation in der Reduktion der Austrittsarbeit. Das oszillatorische Verhalten spiegelt einen ausgeprägten Odd-Even-Effekt wider. Dadurch kann die Austrittsarbeit der Metallelektrode unter Berücksichtigung des Odd-Even-Effekts gesteuert werden. Die Konvergenz der selbstkonsistenten Felditeration für unsere Systeme ist nicht garantiert. Um die Konvergenz zu verbessern, schlagen wir die Verwendung eines speziell auf die FP-LAPW-Methode zugeschnittenen Mischalgorithmus vor. In einem auf Ag(111) basierenden System zeigt sich, dass eine Struktur mit drei Leerstellen in der Substratschicht besonders stabil ist. Dabei ist eine kontinuierliche Abnahme der Austrittsarbeit des Ag(111) feststellbar. Ähnlich wie beim Au(111) manifestiert sich der Odd-Even-Effekt, der auf das Dipolmoment der Molekularschicht zurückzuführen ist. / Charge injection (extraction) at an interface plays a crucial role to organic electronics because this injection (extraction) heavily affects the device performance. One of the most efficient way to optimize energy barriers of the injection (extraction) is modifying the work function of electrodes. In this dissertation, we investigate the modification of work function of Au(111) and Ag(111) induced by the dithiol-terminated polyethylene glycol (PEG(thiol)) as well as a dependence of the work function change on different numbers of PEG repeat units. We find that the work function of the Au(111) is reduced by a monolayer of PEG(thiol) molecules. Overall, our calculations indicate that the work function change is mainly induced by (i) the charge rearrangement due to chemisorption and (ii) the intrinsic dipole moment of the PEG(thiol) monolayer. The magnitude of the latter contribution noticeably depends on the number of repeat units and, thus, causes a variation in the reduction of the work function. The oscillatory behavior reflects a pronounced odd-even effect. As a result, the work function of the metal electrode would be controlled by considering the odd-even effect. Unfortunately, the convergence of the self-consistent field iteration is not guaranteed for our investigated systems. To make the smooth convergence, a mixing algorithm, which is applicable to FP-LAPW method, is devised. We add the Kerker preconditioner as well as further improvements to Pulay’s direct inversion in the iterative subspace. Using this method, one can avoid charge sloshing and noise in the exchange-correlation potential. This method is also implemented in the exciting code. We find the decrease of the work function of the Ag(111) surface is always presented. Similar to the Au(111) case, the odd-even effect is revealed, arising from the dipole moment of the molecular layer.

In verfahrenstechnischen Anlagen der Flüssig-Flüssig-Stoffübertragung kommt es an der Phasengrenze zwischen den nicht mischbaren Flüssigphasen häufig zur Ausbildung hydrodynamischer Instabilitäten. Sie sind mit komplexen Geschwindigkeitsfeldern in den Flüssigphasen, insbesondere in den grenzschichtnahen Regionen verbunden und führen zu einem starken Anstieg der pro Zeiteinheit übertragenen Stoffmenge. Die Lösung der Diffusionsgleichung reicht in diesem Fall zur Vorausberechnung des für Auslegungszwecke bedeutsamen Stoffdurchgangskoeffizienten nicht mehr aus. Chemische Reaktionen stellen Quellen oder Senken von Wärme und Stoff dar, die das Auftreten von Instabilitäten begünstigen und die mathematische Beschreibung zusätzlich erschweren. Im Rahmen der vorliegenden Arbeit wurden experimentelle und numerische Untersuchungen zum Flüssig-Flüssig-Stoffübergang in einem vertikalen Kapillarspalt durchgeführt. Reaktionsfreie Stoffübergänge und solche mit einer exothermen chemischen Reaktion an der Phasengrenze zeigten eine große Vielfalt von Konvektionsstrukturen, wie Rollzellen, Thermiken und das doppeldiffusive Fingerregime. Die Visualisierung der Transportvorgänge erfolgte durch das Schattenschlierenverfahren. Die Beobachtungen wurden hinsichtlich geometrischer Eigenschaften von Konvektionsstrukturen sowie deren zeitlicher Änderung ausgewertet. Dazu zählten insbesondere das Längenwachstum von Thermiken und horizontale Wellenlängen von Fingerstrukturen. Zur mathematischen Beschreibung der Phänomene im Kapillarspalt wurde ein Modell entwickelt, welches auf den gekoppelten, zweidimensionalen Transportgleichungen von Impuls, Wärme und Stoff beruht. Es berücksichtigt dichte- und grenzflächenspannungsgetriebene Instabilitätsmechanismen sowie die besonderen Durchströmungseigenschaften des Kapillarspalts. Die Phasengrenze wurde als eben angenommen. Die Lösung der Modellgleichungen erfolgt auf numerischem Wege durch ein Computerprogramm. Das Modell ist in der Lage, die beobachteten Instabilitätsphänomene qualitativ richtig wiederzugeben. Mit Hilfe von Simulationsrechnungen konnte der Mechanismus aufgeklärt werden, der zum schnelleren Rückgang des Stoffdurchgangskoeffizienten im Rollzellenregime der rein grenzflächenspannungsgetrieben Instabilität im Vergleich zum Vorgang mit überlagerter Dichtekonvektion führt. Des Weiteren gelang der Nachweis des doppeldiffusiven Fingerregimes beim Stoffübergang mit exothermer Grenzflächenreaktion. Die berechnete Erhöhung des Stoffdurchgangskoeffizienten stimmt mit Angaben in experimentellen Arbeiten anderer Autoren überein.

L'objectif de cette thèse est de mettre en œuvre une description multi-échelle adaptée aux écoulements de fluides dans des micro-/nano-conduites. Cette approche doit permettre de décrire, aussi bien les petites échelles relatives aux interactions du fluide avec les atomes du mur, que les grandes échelles de l’écoulement engendrées par les conditions aux limites d'entrée/sortie du canal. Pour cela, nous avons développé une méthode qui couple une modélisation continue des écoulements et des transferts de chaleur dans le cœur du canal avec une modélisation discrète proche des parois, basée sur une représentation atomistique du fluide et du mur.Les équations de Navier-Stokes et de l’énergie, couplées à une équation d’état, sont approximées par une méthode de volumes finis dans le cœur de l’écoulement alors que des simulations de dynamique moléculaire sont utilisées pour représenter finement les interactions entre le fluide et la paroi. Cette approche hybride nécessite la transmission d’informations entre les modélisations : les grandeurs moyennées moléculaires sont imposées comme conditions aux limites pour le modèle continu, et la dynamique sous contrainte, couplée à un thermostat de Langevin, est utilisée pour piloter l’échelle moléculaire. Une représentation par des plots moléculaires locaux de petite taille, intelligemment répartis le long de l’interface entre le fluide et le mur, permet de traiter des écoulements et des transferts dans des canaux de très grands allongements, pour des coûts de calcul raisonnables.Après une partie de validation, des simulations hybrides multi-échelles d’écoulements dans des canaux constitués de parois en platine ont été menées pour de l’argon en phase liquide (incompressible) ou gazeuse (compressible), en tenant compte éventuellement du changement de phase au voisinage de la paroi / The main objective of this thesis is to model the multi-scale heat and fluid flows in micro-/nano channels. This method must be able of capturing at the same time the fluid/solid interaction at the small scale but also the flows induced by the inlet/outlet boundary conditions at the large scale. To this aim, we have adopted an approach coupling the continuum model in the bulks of the channel and the discrete model at the vicinity of the wall, based on an atomistic representation of the fluid and the solid.The Navier-Stokes and energy equations, coupled with an equation of state, are approximated by a finite volume method and the molecular dynamics simulations are used to finely represent the interaction between the fluid and the solid. This hybrid method requires information transmission between the former two regions: averaged quantity in molecular dynamics simulations are imposed as boundary conditions for the continuous model and constrained dynamics, coupled with a thermostat Langevin, is used to control in the molecular level. A set of small molecular dynamics blocks, smartly distributed all along the wall/fluid interface, allows to treat flow and heat transfers in a long micro/nano-channel with a reasonable computational cost.After a validation step, the hybrid multi-scale simulations of complex fluid flows in the channel composed of the platinum wall have been conducted for argon in incompressible liquid or compressible gaseous phase with and without phase change in the vicinity of the wall

In verfahrenstechnischen Anlagen der Flüssig-Flüssig-Stoffübertragung kommt es an der Phasengrenze zwischen den nicht mischbaren Flüssigphasen häufig zur Ausbildung hydrodynamischer Instabilitäten. Sie sind mit komplexen Geschwindigkeitsfeldern in den Flüssigphasen, insbesondere in den grenzschichtnahen Regionen verbunden und führen zu einem starken Anstieg der pro Zeiteinheit übertragenen Stoffmenge. Die Lösung der Diffusionsgleichung reicht in diesem Fall zur Vorausberechnung des für Auslegungszwecke bedeutsamen Stoffdurchgangskoeffizienten nicht mehr aus. Chemische Reaktionen stellen Quellen oder Senken von Wärme und Stoff dar, die das Auftreten von Instabilitäten begünstigen und die mathematische Beschreibung zusätzlich erschweren. Im Rahmen der vorliegenden Arbeit wurden experimentelle und numerische Untersuchungen zum Flüssig-Flüssig-Stoffübergang in einem vertikalen Kapillarspalt durchgeführt. Reaktionsfreie Stoffübergänge und solche mit einer exothermen chemischen Reaktion an der Phasengrenze zeigten eine große Vielfalt von Konvektionsstrukturen, wie Rollzellen, Thermiken und das doppeldiffusive Fingerregime. Die Visualisierung der Transportvorgänge erfolgte durch das Schattenschlierenverfahren. Die Beobachtungen wurden hinsichtlich geometrischer Eigenschaften von Konvektionsstrukturen sowie deren zeitlicher Änderung ausgewertet. Dazu zählten insbesondere das Längenwachstum von Thermiken und horizontale Wellenlängen von Fingerstrukturen. Zur mathematischen Beschreibung der Phänomene im Kapillarspalt wurde ein Modell entwickelt, welches auf den gekoppelten, zweidimensionalen Transportgleichungen von Impuls, Wärme und Stoff beruht. Es berücksichtigt dichte- und grenzflächenspannungsgetriebene Instabilitätsmechanismen sowie die besonderen Durchströmungseigenschaften des Kapillarspalts. Die Phasengrenze wurde als eben angenommen. Die Lösung der Modellgleichungen erfolgt auf numerischem Wege durch ein Computerprogramm. Das Modell ist in der Lage, die beobachteten Instabilitätsphänomene qualitativ richtig wiederzugeben. Mit Hilfe von Simulationsrechnungen konnte der Mechanismus aufgeklärt werden, der zum schnelleren Rückgang des Stoffdurchgangskoeffizienten im Rollzellenregime der rein grenzflächenspannungsgetrieben Instabilität im Vergleich zum Vorgang mit überlagerter Dichtekonvektion führt. Des Weiteren gelang der Nachweis des doppeldiffusiven Fingerregimes beim Stoffübergang mit exothermer Grenzflächenreaktion. Die berechnete Erhöhung des Stoffdurchgangskoeffizienten stimmt mit Angaben in experimentellen Arbeiten anderer Autoren überein.

No description available.