3,515 research outputs found

    Undergraduate Catalog of Studies, 2023-2024

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    Graduate Catalog of Studies, 2023-2024

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    Graduate Catalog of Studies, 2023-2024

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    Collective motion in active matter

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    Active matter is the study of collective motion of systems of particles that are able to consume energy in order to perform systematic motion. Such systems are abundant in nature and come on a large range of scales: from animal herds and bird flocks, to bacterial colonies, to active polymer suspensions. In this Thesis, we focus on the so-called wet active matter, where interactions between an active particle and its environment (usually a surrounding fluid, as in bacterial or active polymer suspensions) conserve momentum. Dilute suspensions of motile bacteria are one of the best-studied examples of wet active matter. When the density of the suspension is sufficiently high enough, it exhibits a phenomenon often referred to as bacterial turbulence. When it occurs, the suspension exhibits strong orientational and velocity and correlations on large length scales, enhanced diffusion and mixing of the suspending fluid, and reduced apparent viscosity that vanishes at the onset of collective motion. While the transition to bacterial turbulence is reasonably well-understood, the properties of the turbulent phase are largely unknown. The purpose of this Thesis is to study theoretically aspects of collective motion of self-propelled particles in the presence of hydrodynamic interaction. Motivated by previous work on the onset of bacterial turbulence, first we develop and study a lattice model of the collective phase. Since the transition to bacterial turbulence was previously shown to be driven by the orientational degrees of freedom alone, we confine model microswimmers to a regular lattice and fix their positions. The dynamics of each microswimmer then comprise re-orientations in the velocity fields created by other microswimmers and random orientational changes representing bacterial tumble event. We observe that in the absence of tumbling, all dynamics cease after some initial time, yielding a frozen configuration. For sufficiently strong tumbling, these configurations melt, and we discuss the implications of this scenario for bacterial turbulence. As the next step, we study partially filled lattices of microswimmer. In addition to the dynamical rules presented above, each swimmer can now hop on the lattice with a hopping rate dependent on the surrounding velocity field. This hopping simultaneously represents self-propulsion, advection, and spatial diffusion exhibited by real microswimmers. The model also incorporates excluded volume interactions as only a single microswimmer is allowed to occupy a single lattice site. In the absence of hydrodynamic interactions, the model exhibits a motility-induced phase separation, typical of dry active systems. In the presence of hydrodynamic interactions, the system exhibits microphase separation instead, leading to a total disappearance of clusters. The latter state is shown to be hyperuniform and we discuss how hydrodynamic interactions affect the phase diagram of such systems. Finally, we study another example of collective motion in active fluids. We consider the active liquid crystalline model that is often referred to as active gel or active nematic model, that is widely used in studying mechanics of biological tissues, bacterial colonies, cell mechanics, etc. Previous work on these systems mostly focussed on the case of a highly packed suspension with a constant density of active agents. Here, motivated by our work above, we introduce an analogous model that allows for local density variations. We study the onset of spontaneous flows in this model and discuss how our observations differ from their constant-density counterparts

    Exploiting the potential of chemical looping processes for industrial decarbonization and waste to energy conversion. Process design and experimental evaluations

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    The impact of anthropogenic activities on the environment is leading to climate changes and exceptional meteorological phenomena all over the world. To address this negative trend, the scientific community agrees that the environmental impact from fossil fuels-based power production must be mitigated by the integration with alternative and sustainable technologies, such as renewable energy. However, the time required for the complete development and diffusion of such technology poses the urgency of finding a midterm solution to significantly reduce CO2 emissions. Carbon capture, utilization, and storage (CCUS) technologies represent an interesting option to mitigate CO2 emissions. CCUS involves (among other possible applications) the separation of the CO2 content from industrial off-gases, its transport and storage or its reconversion to a chemical/fuel. Chemical looping can be considered as an oxyfuel combustion where the oxygen supply comes from the lattice oxygen atoms of a solid. It is based on gas-solid reactions where a solid also known as oxygen carrier, generally a metal oxide, undergoes successive reduction and oxidation steps. In the reduction step, normally occurring at high temperatures (700-1000 °C), the oxygen carrier interacts with a reducing agent, such as coal, natural gas, syngas etc. and loses part of its oxygen atoms. By controlling the degree of reduction of the oxygen carrier is thus possible to achieve a complete oxidation of the reducing agent (the fuel) to CO2 and H2O (chemical looping combustion) or a partial oxidation to a syngas (chemical looping reforming and gasification). In these latter case, the introduction of external CO2 and H2O can be of help to support the reforming or gasification processes. The oxygen carrier in the reduced phase is then sent to an air reactor, where it reacquires the oxygen atoms by an exothermic reaction with air. This process presents several advantages according to the specific application. In chemical looping combustion, intrinsic separation of N2 and CO2 is achieved, because the two streams are involved in two different reaction steps. This largely simplifies the CO2 separation effort for storage or utilization purposes. On the other hand, in chemical looping reforming it is possible to achieve autothermal operation thanks to the exothermicity of the oxidation step in the air reactor, as well as high reforming efficiencies. Similarly, in chemical looping gasification the resulting syngas is characterized by no N2 dilution, lower tar release and possibility of autothermal operation. These benefits enhance the energy efficiency of the process, leading to a better energy utilisation. In this work, strategies for the decarbonisation and circularity of the industrial and power sector are proposed based on the synthesis of hydrogen and hydrogen-derived fuels. In particular, the potential of chemical looping technology is deeply studied aiming at exploiting its ability to reconvert or valorise CO2 or waste streams to a syngas and then to a liquid fuel/chemical, such as methanol or ammonia. This task is carried out through modelling and experimental evaluations. The modelling activities mainly concern design of process schemes involving the chemical looping section for waste or CO2 reconversion and the liquid fuel synthesis section. The experimental evaluations are focused on two crucial that have been limitedly discussed in the literature: the thermochemical syngas production step by oxidation with CO2 and H2O streams, the effect of high-pressure operation on the redox abilities of a typical iron and nickel-based oxygen carrier. In Chapter 1, a general overview on the main research developments on chemical looping technology is provided. A section is reserved for each chemical looping variant, i.e. combustion, reforming and gasification, and a general description of each process is provided along with the summary of the main research achievements. Subsequently, the technology is divided by application in power production and chemicals production. Main findings from techno-economic assessment and process designs are discussed in comparison with benchmark technologies and other clean pathways. In Chapter 2 steel mills are taken as an example of the hard-to-abate industry. A H2-based decarbonization strategy is proposed and assessed by Aspen Plus simulation. The strategy starts from an initial configuration that is characterized by a typical blast furnace-basic oxygen furnace steel mill and consider the introduction of direct reduction – electric arc furnace lines, that are more efficient and involve natural gas as reducing agent rather than coke. Sensitivity analyses are carried out to assess the effect of the introduction of H2/CH4 blendings in the direct reduction plant and of the utilization of scrap material in the electric arc furnace. The impact of each configuration on the CO2 emissions and the energy flows of the plant is assessed by mass and energy balances. The results indicate a promising decarbonization potential of the introduced technologies but require large investments to increase the renewable sources penetration in the energy mix and large availability of H2. Therefore, alternative pathways for an earlier decarbonization of hard-to-abate industries and for large scale syngas/H2 production need to be considered. In Chapter 3, a novel process scheme is proposed involving chemical looping for syngas production. The CO2 content in blast furnace gases is separated with a calcium looping cycle and subsequently injected with H2O into the oxidation reactor of a chemical looping cycle. Assuming an inlet stream of pure CO2, mass balances on the chemical looping plant are carried out to compare the performance of nickel ferrites and iron oxides in terms of required oxygen carrier flow rate to process 1 t/h of CO2. Computational fluid dynamics simulations with integrated reaction kinetics are then carried out to validate the assumptions on the oxygen carrier conversion and syngas compositions. In Chapter 4 and 5, experimental evaluations are carried out on two crucial aspects for the successful operation of a chemical looping plant aiming at syngas production. In Chapter 4, the syngas productivity by CO2 and H2O splitting over a Fe bed is investigated. This is a very important step, and the effect of various parameters was considered. Firstly, the CO2 splitting is analysed for different temperatures with an inlet flow rate of 1 NL/min to ensure a substantial dissociation of the CO2. Subsequently, combined streams of CO2 and H2O are evolved in the reactor. The effect of the total flow rate, reactants molar ratio and bed height is investigated and from the results, the optimal syngas composition is identified. SEM and XRD are used to assess the morphological evolution and the phase changes of the material during the test. On the contrary, in Chapter 5 the effect of high-pressure operation on the redox abilities of two NiFe aluminates is assessed. The aluminates present similar Fe loadings, but different Ni loadings. High pressure operation is crucial for the development of this technology because it facilitates downstream processing of the syngas to liquid fuels. For a comparative analysis, preliminary tests at low pressure are carried out at three temperatures. Subsequently, the effect of reactants flow rate, temperature, total pressure, gas composition is analysed at high pressure conditions. Finally, long term tests are performed both at ambient and high-pressure conditions. Material characterization by SEM, XRD and H2-TPR is used to support the comparative analysis. In Chapter 6, a techno-economic analysis on a process scheme encompassing methanol and ammonia production from chemical looping gases is carried out. Chemical looping hydrogen production is a very versatile technology and allows for the combined production of power and H2 or syngas. With proper calibration of the flow rates, a stream of high purity N2 can also be obtained at the air reactor outlet and used for ammonia synthesis. Back up with an alkaline electrolyser is considered for the supply of the required amount of hydrogen. Sensitivity analyses are carried out on the chemical looping plant to evaluate the effect of fuel flow rate, steam flow rate, and oxygen carrier inlet temperature to the fuel reactor. Subsequently, a techno-economic analysis is carried out evaluating several parameters among which: the specific CO2 emissions, the energy intensity, and the levelized cost of methanol and ammonia. Finally, a comparison with benchmark technologies and other clean alternatives is presented. In this way, the benefits as well as the drawbacks of chemical looping in terms of environmental and economic parameters are assessed and the missing elements to reach industrial competitivity are clarified

    Data-assisted modeling of complex chemical and biological systems

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    Complex systems are abundant in chemistry and biology; they can be multiscale, possibly high-dimensional or stochastic, with nonlinear dynamics and interacting components. It is often nontrivial (and sometimes impossible), to determine and study the macroscopic quantities of interest and the equations they obey. One can only (judiciously or randomly) probe the system, gather observations and study trends. In this thesis, Machine Learning is used as a complement to traditional modeling and numerical methods to enable data-assisted (or data-driven) dynamical systems. As case studies, three complex systems are sourced from diverse fields: The first one is a high-dimensional computational neuroscience model of the Suprachiasmatic Nucleus of the human brain, where bifurcation analysis is performed by simply probing the system. Then, manifold learning is employed to discover a latent space of neuronal heterogeneity. Second, Machine Learning surrogate models are used to optimize dynamically operated catalytic reactors. An algorithmic pipeline is presented through which it is possible to program catalysts with active learning. Third, Machine Learning is employed to extract laws of Partial Differential Equations describing bacterial Chemotaxis. It is demonstrated how Machine Learning manages to capture the rules of bacterial motility in the macroscopic level, starting from diverse data sources (including real-world experimental data). More importantly, a framework is constructed though which already existing, partial knowledge of the system can be exploited. These applications showcase how Machine Learning can be used synergistically with traditional simulations in different scenarios: (i) Equations are available but the overall system is so high-dimensional that efficiency and explainability suffer, (ii) Equations are available but lead to highly nonlinear black-box responses, (iii) Only data are available (of varying source and quality) and equations need to be discovered. For such data-assisted dynamical systems, we can perform fundamental tasks, such as integration, steady-state location, continuation and optimization. This work aims to unify traditional scientific computing and Machine Learning, in an efficient, data-economical, generalizable way, where both the physical system and the algorithm matter

    Proceedings of SIRM 2023 - The 15th European Conference on Rotordynamics

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    It was our great honor and pleasure to host the SIRM Conference after 2003 and 2011 for the third time in Darmstadt. Rotordynamics covers a huge variety of different applications and challenges which are all in the scope of this conference. The conference was opened with a keynote lecture given by Rainer Nordmann, one of the three founders of SIRM “Schwingungen in rotierenden Maschinen”. In total 53 papers passed our strict review process and were presented. This impressively shows that rotordynamics is relevant as ever. These contributions cover a very wide spectrum of session topics: fluid bearings and seals; air foil bearings; magnetic bearings; rotor blade interaction; rotor fluid interactions; unbalance and balancing; vibrations in turbomachines; vibration control; instability; electrical machines; monitoring, identification and diagnosis; advanced numerical tools and nonlinearities as well as general rotordynamics. The international character of the conference has been significantly enhanced by the Scientific Board since the 14th SIRM resulting on one hand in an expanded Scientific Committee which meanwhile consists of 31 members from 13 different European countries and on the other hand in the new name “European Conference on Rotordynamics”. This new international profile has also been emphasized by participants of the 15th SIRM coming from 17 different countries out of three continents. We experienced a vital discussion and dialogue between industry and academia at the conference where roughly one third of the papers were presented by industry and two thirds by academia being an excellent basis to follow a bidirectional transfer what we call xchange at Technical University of Darmstadt. At this point we also want to give our special thanks to the eleven industry sponsors for their great support of the conference. On behalf of the Darmstadt Local Committee I welcome you to read the papers of the 15th SIRM giving you further insight into the topics and presentations

    Undergraduate Catalog of Studies, 2022-2023

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    Using Computational Fluid Dynamics for Predicting Hydraulic Performance of Arced Labyrinth Weirs

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    Our world is dynamic and as hydrologic research continues, the magnitude of flood estimates used in hydraulic design for reservoirs has increased. Consequently, many existing spillways are now undersized and unable to meet discharge requirements. These spillways often have a fixed footprint, so nonlinear weirs (e.g., labyrinth weirs) are often a viable solution. For reservoir applications, arcing labyrinth weirs in plan view increases hydraulic efficiency because of better cycle orientation to the approaching flow from the reservoir. This study supplements available physical arced labyrinth weir hydraulic data by observing flow characteristics of two numerical models (α=16°; θ=10° and α=20°; θ=30°). Both numerical models were developed using two commercially available CFD software. The purpose of the CFD analysis was to assess the appropriateness of default settings in a CFD model and to better understand CFD as a design tool for arced labyrinth weir rating curve development. Results determined that default settings are not always appropriate for a rating curve. For arced labyrinth weirs, CFD can be a useful tool for implementing site-specific conditions; however, CFD models should be calibrated to reliable laboratory or field data. This study’s data may be used, with sound engineering judgement, to aid in the design of arced labyrinth weirs

    Interaction of elastomechanics and fluid dynamics in the human heart : Opportunities and challenges of light coupling strategies

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    Das menschliche Herz ist das hochkomplexe Herzstück des kardiovaskulären Systems, das permanent, zuverlässig und autonom den Blutfluss im Körper aufrechterhält. In Computermodellen wird die Funktionalität des Herzens nachgebildet, um Simulationsstudien durchzuführen, die tiefere Einblicke in die zugrundeliegenden Phänomene ermöglichen oder die Möglichkeit bieten, relevante Parameter unter vollständig kontrollierten Bedingungen zu variieren. Angesichts der Tatsache, dass Herz-Kreislauf-Erkrankungen die häufigste Todesursache in den Ländern der westlichen Hemisphäre sind, ist ein Beitrag zur frühzeit- igen Diagnose derselben von großer klinischer Bedeutung. In diesem Zusammenhang können computergestützte Strömungssimulationen wertvolle Einblicke in die Blutflussdynamik liefern und bieten somit die Möglichkeit, einen zentralen Bereich der Physik dieses multiphysikalischen Organs zu untersuchen. Da die Verformung der Endokardoberfläche den Blutfluss antreibt, müssen die Effekte der Elastomechanik als Randbedingungen für solche Strömungssimulationen berücksichtigt werden. Um im klinischen Kontext relevant zu sein, muss jedoch ein Mittelweg zwischen dem Rechenaufwand und der erforderlichen Genauigkeit gefunden werden, und die Modelle müssen sowohl robust als auch zuverlässig sein. Daher werden in dieser Arbeit die Möglichkeiten und Herausforderungen leichter und daher weniger komplexer Kopplungsstrategien mit Schwerpunkt auf drei Schlüsselaspekten bewertet: Erstens wird ein auf dem Immersed Boundary-Ansatz basierender Fluiddynamik-Löser implementiert, da diese Methode mit einer sehr robusten Darstellung von bewegten Netzen besticht. Die grundlegende Funktionalität wurde für verschiedene vereinfachte Geometrien verifiziert und zeigte eine hohe Übereinstimmung mit der jeweiligen analytischen Lösung. Vergleicht man die 3D-Simulation einer realistischen Geometrie des linken Teils des Herzens mit einem körperangepassten Netzbeschreibung, so wurden grundlegende globale Größen korrekt reproduziert. Allerdings zeigten Variationen der Randbedingungen einen großen Einfluss auf die Simulationsergebnisse. Die Anwendung des Lösers zur Simulation des Einflusses von Pathologien auf die Blutströmungsmuster ergab Ergebnisse in guter Übereinstimmung mit Literaturwerten. Bei Simulationen der Mitralklappeninsuffizienz wurde der rückströmende Anteil mit Hilfe einer Partikelverfolgungsmethode visualisiert. Bei hypertropher Kardiomyopathie wurden die Strömungsmuster im linken Ventrikel mit Hilfe eines passiven Skalartransports bewertet, um die lokale Konzentration des ursprünglichen Blutvolumens zu visualisieren. Da in den vorgenannten Studien nur ein unidirektionaler Informationsfluss vom elas- tomechanischen Modell zum Strömungslöser berücksichtigt wurde, wird die Rückwirkung des räumlich aufgelösten Druckfeldes aus den Strömungssimulationen auf die Elastomechanik quantifiziert. Es wird ein sequenzieller Kopplungsansatz eingeführt, um fluiddynamische Einflüsse in einer Schlag-für-Schlag-Kopplungsstruktur zu berücksichtigen. Die geringen Abweichungen im mechanischen Solver von 2 mm verschwanden bereits nach einer Iteration, was darauf schließen lässt, dass die Rückwirkungen der Fluiddynamik im gesunden Herzen begrenzt ist. Zusammenfassend lässt sich sagen, dass insbesondere bei Strömungsdynamiksimula- tionen die Randbedingungen mit Vorsicht gewählt werden müssen, da sie aufgrund ihres großen Einflusses die Anfälligkeit der Modelle erhöhen. Nichtsdestotrotz zeigten verein- fachte Kopplungsstrategien vielversprechende Ergebnisse bei der Reproduktion globaler fluiddynamischer Größen, während die Abhängigkeit zwischen den Lösern reduziert und Rechenaufwand eingespart wird
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