1,397 research outputs found

    Review of next generation hydrogen production from offshore wind using water electrolysis

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    \ua9 2023 The Author(s)Hydrogen produced using renewable energy from offshore wind provides a versatile method of energy storage and power-to-gas concepts. However, few dedicated floating offshore electrolyser facilities currently exist and therefore conditions of the offshore environment on hydrogen production cost and efficiency remain uncertain. Therefore, this review focuses on the conversion of electrical energy to hydrogen, using water electrolysis located in offshore areas. The challenges associated with the remote locations, fluctuating power and harsh conditions are highlighted and recommendations for future electrolysis system designs are suggested. The latest research in polymer electrolyte membrane, alkaline and membraneless electrolysis are evaluated in order to understand their capital costs, efficiency and current research status for achieving scaled manufacturing to the GW scale required in the next three decades. Operating fundamentals that govern the performance of each device are investigated and future recommendations of research specifically for the integration of water electrolysers with offshore wind turbines is presented

    Optimal boundary control of the isothermal semilinear Euler equation for gas dynamics on a network

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    The analysis and boundary optimal control of the nonlinear transport of gas on a network of pipelines is considered. The evolution of the gas distribution on a given pipe is modeled by an isothermal semilinear compressible Euler system in one space dimension. On the network, solutions satisfying (at nodes) the Kirchhoff flux continuity conditions are shown to exist in a neighborhood of an equilibrium state. The associated nonlinear optimization problem then aims at steering such dynamics to a given target distribution by means of suitable (network) boundary controls while keeping the distribution within given (state) constraints. The existence of local optimal controls is established and a corresponding Karush--Kuhn--Tucker (KKT) stationarity system with an almost surely non--singular Lagrange multiplier is derived

    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

    Swift: A modern highly-parallel gravity and smoothed particle hydrodynamics solver for astrophysical and cosmological applications

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    Numerical simulations have become one of the key tools used by theorists in all the fields of astrophysics and cosmology. The development of modern tools that target the largest existing computing systems and exploit state-of-the-art numerical methods and algorithms is thus crucial. In this paper, we introduce the fully open-source highly-parallel, versatile, and modular coupled hydrodynamics, gravity, cosmology, and galaxy-formation code Swift. The software package exploits hybrid task-based parallelism, asynchronous communications, and domain-decomposition algorithms based on balancing the workload, rather than the data, to efficiently exploit modern high-performance computing cluster architectures. Gravity is solved for using a fast-multipole-method, optionally coupled to a particle mesh solver in Fourier space to handle periodic volumes. For gas evolution, multiple modern flavours of Smoothed Particle Hydrodynamics are implemented. Swift also evolves neutrinos using a state-of-the-art particle-based method. Two complementary networks of sub-grid models for galaxy formation as well as extensions to simulate planetary physics are also released as part of the code. An extensive set of output options, including snapshots, light-cones, power spectra, and a coupling to structure finders are also included. We describe the overall code architecture, summarize the consistency and accuracy tests that were performed, and demonstrate the excellent weak-scaling performance of the code using a representative cosmological hydrodynamical problem with \approx300300 billion particles. The code is released to the community alongside extensive documentation for both users and developers, a large selection of example test problems, and a suite of tools to aid in the analysis of large simulations run with Swift.Comment: 39 pages, 18 figures, submitted to MNRAS. Code, documentation, and examples available at www.swiftsim.co

    Historical Burdens on Physics

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    When learning physics, one follows a track very similar to the historical path of the evolution of this science: one takes detours, overcomes superfluous obstacles and repeats mistakes, one learns inappropriate concepts and uses outdated methods. In the book, more than 200 articles present and analyze such obsolete concepts methods. All articles have the same structure: 1. subject, 2. deficiencies, 3. origin, 4. disposal. The articles had originally appeared as columns in various magazines. Accordingly, we had tried to write them in an easily understandable way

    Exoteric effects at nanoscopic interfaces - Uncommon negative compressibility of nanoporous materials and unexpected cavitation at liquid/liquid interfaces

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    This PhD thesis is devoted to the investigation of some peculiar effects happening at nanoscopic interfaces between immiscible liquids or liquids and solids via molecular dynamics simulations. The study of the properties of interfaces at a nanoscopic scale is driven by the promise of many interesting technological applications, including: a novel technology for developing both eco-friendly energy storage devices in the form of mechanical batteries, as well as energy dissipation systems and, in particular, shock absorbers for the automotive market; biomedical applications related to cavitation, such as High-Intensity Focused Ultrasound (HIFU) ablation of cancer tissues and localised drug delivery, and many more. The kinetics of phenomena taking places at these scales is typically determined by large free-energy barriers separating the initial and final states, and even intermediate metastable states, when they are present. Because of such barriers, the phenomena we are interested in are "rare events", i.e. the system attempts the crossing of the barrier(s) many times before finally succeeding when an energy fluctuation makes it possible. At the same time, the magnitude of the barrier is determined by the energetics and dynamics of atoms, which forces us to model the system by taking into account both the femtosecond atomistic timescale and the timescale of the relevant phenomena, typically exceeding the former by several orders of magnitude. These longer timescales are inaccessible to standard molecular dynamics, so, in order to tackle this issue, advanced MD techniques need to be employed. The thesis is divided into two parts, corresponding to the main lines of research investigated, which are (I) the interfaces between water and complex nanoporous solids, and (II) planar solid-liquid and liquid-liquid interfaces. Anticipating some results, atomistic simulations helped uncovering the microscopic mechanism behind the (incredibly rare!) giant negative compressibility exhibited by the ZIF-8 metal organic framework (MOF) upon water intrusion. Molecular dynamics simulations also supported experimental results showing how it is possible to change the intermediate intrusion-extrusion performance of ZIF-8 by changing its grain morphology and arrangement, from a fine powder to compact monolith. Free-energy MD calculations allowed to explain the exceptional stability of surface nanobubbles in water, at undersaturated conditions, on a surprisingly wide variety of substrates, characterized by disparate hydrophobicities and gas affinities; and yet, how they catastrophically destabilize in organic solvents. Finally, through simulations, some light was shed upon the working mechanism behind the novelly discovered phenomenon of how the interface between two immiscible liquids can act as a nucleation site for cavitation

    Forested Watersheds and Water Supply: Exploring Effects of Wildfires, Silviculture, and Climate Change on Downstream Waters

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    Drinking water supplies for much of society originate in forests. To preserve the capability of these forests to produce clean and easily treatable water, source water supply and protection strategies focus in particular on potential disturbances to the landscape, which include prescribed forest harvesting and wildfires of varying intensity. While decades of work have revealed relationships between forest harvesting and stream flow response, there is a considerable lack of synthesis disentangling the interactions of climate, wildfires, stream flow, and water quality. Revealing the mechanisms for impacts on downstream waters after disturbances of harvesting and wildfire will greatly improve land and water management. In this dissertation, I combined synthesis of previously published or available data, novel mathematical analyses, and deterministic modeling to disentangle various disturbance effects and further our understanding of processes in forested watersheds. I broadly sought to explore how streamflow and water quality change after forest disturbances, and how new methods and analyses can provide insight into the biogeochemical and ecohydrologic processes changing during disturbances. First, I examined the effect of wildfire on hydrology, and developed a novel Budyko decomposition method to separate climatic and disturbance effects on streamflow. Using a set of 17 watersheds in southern California, I showed that while traditional metrics like changes in flow or runoff ratio might not detect a disturbance effect from wildfire due to confounding climate signals, the Budyko framework can be used successfully for statistical change detection. The method was used to estimate hydrologic recovery timescales that varied between 5 and 45 years, with an increase of about 4 years of recovery time per 10% of the watershed burned. Next, in Chapter 3 I used a meta-analysis approach to examine the effect of wildfire on water quality, using data from 121 catchments around the world. Analyzing the changes in concentrations of stream water nutrients, including carbon, nitrogen, and phosphorus, I showed that concentrations generally increased after fire. While a large amount of variability existed in the data, we found concurrent increases in the constituents after fire highlighting tight coupling of the biogeochemical cycles. Most interestingly, we found fire to increase the concentrations of biologically active nutrients like nitrate and phosphate at a greater rate than total nitrogen and phosphorus, with median increases of 40-60% in the nitrate to TN, and SRP to TP ratios. Next, I conducted an analysis of both water quality and hydrology together after fire in Chapter 4, using a set of 29 wildfire-impacted watersheds in the United States. Concentration-discharge relationships can be used to reveal pathways and sources of elements exported from watersheds, and my overall hypothesis was that these relationships change in post-fire landscapes. I developed a new methodology, using k-means clustering, to classify watersheds as chemostatic, dilution, mobilization and chemodynamic, and explored how their position within the cluster changed in post-fire landscapes. I found that the behavior of nitrate and ammonium was increasingly chemostatic after fire, while behavior of total nitrogen, phosphorus, and organic phosphorus was increasingly mobilizing after fire. Finally, I developed a coupled hydrology-vegetation-biogeochemistry model to simulate and elucidate processes controlling the impact of harvesting on downstream waters. I focused on the Turkey Lakes watershed where a significant amount of data has been collected on vegetation and soil nutrient dynamics, in addition to traditional streamflow and water quality metrics, and developed a novel multi-part calibration process that used measured data on stream, forest, and soil characteristics and dynamics. Future work would involve using the model to explore the data driven relationships that have been developed in the earlier chapters of the paper. The work presented in this dissertation highlights new small and large-scale relationships between disturbances in forested watersheds and effects on downstream waters. With more threats predicted to escalate and overlap in the coming years, the novel results and methodologies that I have presented here should contribute to improving land and water management

    The interactions between gold nanoparticles and their self-assembly

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    Gold nanoparticles (AuNPs) are one of the most promising building blocks to fabricate versatile nanostructures. Such nanostructures have the great potential to enable new gold-based nanomaterials or nanocomposites with specific properties by precisely controlling the interactions (potential energies and/or forces) between them. In other words, the interactions between AuNPs are therefore regarded as one of the key factors governing particles’ self-assembly process that can drive multiple AuNPs to form ordered structures as required. Quantifying the interactions between them and understanding of their self-assembly process are of great importance and yet still challenging. In this study, molecular dynamics (MD) simulations are performed to calculate the interactions (e.g., potential energies) between AuNPs. The MD results reveal that a more effective force model between AuNPs can be developed as a function of their surface separation compared with the conventional Hamaker equation. In addition, MD simulations examine several effects (i.e., particle size, shape, rotation, surface patch, surfactant, as well as configuration) on their interactions. The results demonstrate that the different impacts of these factors (e.g., the hindrance of surfactant). Apart from spherical gold nanoparticles, interactions between gold nanorods (AuNRs) are also be quantified by MD simulations. The interparticle forces of AuNRs can be expressed as a function of their surface separation and the rotation angle since the rotational movement is applied on AuNR. Further, the MD-derived interparticle force models of gold nanospheres are integrated into discrete element method (DEM) to explore their self-assembly process. To the best of our knowledge, this might be the first time that the MD-based interparticle force models are integrated into DEM to explore the self-assembly process of gold nanoparticles. The results show that ordered nanostructures are ultimately constructed. Specifically, the mean coordination number (CN) of AuNPs (3 nm in size) is up to 5.99 and two major large clusters is observed under the simulation conditions at the equilibrated state. The completion of this study not only allows us to evaluate the interactions between AuNPs by MD simulation, but profoundly, the MD-DEM coupling approach opens a new window to unfold the self-assembly process of AuNPs

    Band structure renormalization at finite temperatures from first principles

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    In dieser Doktorarbeit untersuchen wir den Einfluss von Elektron-Phonon-Wechselwirkungen (EPW) auf die Bandlueckenrenormierung in kristallinen Festkoerpern bei endlichen Temperaturen. Das Hauptziel besteht darin, den Einfluss der Kernbewegung und der thermischen Ausdehnung des Gitters auf die Bandstruktur in einer Vielzahl von Materialien zu quantifizieren. Zu diesem Zweck wird der Temperatureinfluss auf das EPW in harmonischen Naeherungen unter Verwendung der stochastischen Abtastmethode und vollstaendig anharmonisch durch Durchführung von ab initio Molekulardynamiksimulationen (aiMD). Die Bandluecke bei endlichen Temperaturen wird aus der thermodynamisch gemittelten Spektralfunktion extrahiert, die unter Verwendung der Bandentfaltungstechnik berechnet wird. Waehrend die Verwendung von aiMD bereits fuer Berechnungen von EPW verwendet wurde, wurde die Kombination von aiMD und Bandentfaltung zur Behandlung der Bandluecken renormalisierung erst kuerzlich verwendet. In dieser Doktorarbeit haben wir eine verbesserte Bandentfaltungstechnik verwendet, um die Berechnung effektiv zu verwalten. Diese verbesserte Methode enthaelt mehrere methodische Neuerungen, die dazu dienen, den Rechenaufwand zu verringern und das statistische Rauschen in den Endergebnissen zu minimieren. Die aktualisierte Methode wurde gruendlich bewertet, dokumentiert und mit einer benutzerfreundlichen Oberflaeche gestaltet. Wir praesentieren eine umfassende Untersuchung der numerischen Aspekte der thermodynamischen Mittelung, der Schaetzung von Fehlerbalken und der Bewertung der Konvergenz in Bezug auf die Groesse der Simulationssuperzelle. Unser etabliertes Protokoll ermoeglicht die Berechnung der Bandlückenrenormierung bei endlichen Temperaturen, was in guter Uebereinstimmung mit frueheren theoretischen Studien und experimentellen Daten steht.In this thesis, we investigate the influence of electron-phonon interactions (EPI) on the band gap renormalization in crystalline solids at finite temperatures. The main goal is to identify the impact of the nuclear motion and the lattice thermal expansion on the band structure in a wide range of materials. For this purpose, the temperature influence on the EPI is calculated in the harmonic approximations by utilizing the stochastic sampling methodology and fully anharmonically, by performing ab initio molecular dynamics simulations (aiMD). The band gap at finite temperatures is extracted from the thermodynamically averaged spectral function, which is calculated using band-unfolding technique. While utilization of aiMD was already used for calculations of EPI the combination of aiMD and band-unfolding to treat the band gap renormalization was used only recently. In this thesis, we employed an improved band unfolding technique in order to effectively manage the calculations. This improved method incorporates several methodological innovations that serve to mitigate computational cost and minimize statistical noise in the final results. The updated method was thoroughly benchmarked, documented, and designed with a user-friendly interface. We present a comprehensive examination of the numerical aspects of thermodynamic averaging, the estimation of error bars, and the evaluation of convergence with respect to the size of the simulation supercell. Our established protocol enables the calculation of band gap renormalization at finite temperatures, which is in good agreement with prior theoretical studies and experimental data

    Models of polymer solutions in electrified jets and solution blowing

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    Fluid flows hosting electrical phenomena make the subject of a fascinating and highly interdisciplinary scientific field. In recent years, the extraordinary success of electrospinning and solution blowing technologies for the generation of polymer nanofibers has motivated vibrant research aiming at rationalizing the behavior of viscoelastic jets under applied electric fields or other stretching fields including gas streams. Theoretical models unveiled many original aspects in the underpinning physics of polymer solutions in jets, and provided useful information to improve experimental platforms. This article reviews advances in the theoretical description and numerical simulation of polymer solution jets in electrospinning and solution blowing. Instability phenomena of electrical and hydrodynamic origin are highlighted, which play a crucial role in the relevant flow physics. Specifications leading to accurate and computationally viable models are formulated. Electrohydrodynamic modeling, theories for the jet bending instability, recent advances in Lagrangian approaches to describe the jet flow, including strategies for dynamic refinement of simulations, and effects of strong elongational flow on polymer networks are reviewed. Finally, the current challenges and future perspectives of the field are outlined and discussed, including the task of correlating the physics of the jet flows with the properties of realized materials, as well as the development of multiscale techniques for modelling viscoelastic jets.Comment: 135 pages, 42 figure
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