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  • About
  • The Global ETD Search service is a free service for researchers to find electronic theses and dissertations. This service is provided by the Networked Digital Library of Theses and Dissertations.
    Our metadata is collected from universities around the world. If you manage a university/consortium/country archive and want to be added, details can be found on the NDLTD website.
111

Trial design and analysis of endpoints in HIV vaccine trials / Schéma d’étude et analyses des données des essais vaccinaux du VIH

Richert, Laura 28 October 2013 (has links)
Des données complexes sont fréquentes dans les essais cliniques récents et nécessitent des méthodes statistiques adaptées. La recherche vaccinale du VIH est un exemple d’un domaine avec des données complexes et une absence de critères de jugement validés dans les essais précoces. Cette thèse d’Université concerne des recherches méthodologiques sur la conception et les aspects statistiques des essais cliniques vaccinaux du VIH, en particulier sur les critères de jugement d’immunogénicité et les schémas d’essai de phase I-II. A l’aide des données cytokiniques multiplex, nous illustrons les aspects méthodologiques spécifiques à une technique de mesure. Nous proposons ensuite des définitions de critères de jugement et des méthodes statistiques adéquates pour l'analyse des données d'immunogénicité multidimensionnelles. En particulier, nous montrons l’intérêt des scores multivariés non-paramétriques, permettant de résumer l’information à travers différents marqueurs d’immunogénicité et de faire des comparaisons inter- et intra-groupe. Dans l’objectif de contribuer à la conception méthodologique des nouveaux essais vaccinaux, nous présentons la construction d’un schéma d’essai optimisé pour le développement clinique précoce. En imbriquant les phases I et II d’évaluation clinique, ce schéma permet d’accélerer le développement de plusieurs stratégies vaccinales en parallèle. L’intégration d’une règle d’arrêt est proposée dans des perspectives fréquentistes et Bayesiennes. Les méthodes mises en avant dans cette thèse sont transposables à d’autres domaines d’application avec des données complexes, telle que les données d’imagerie ou les essais d’autres immunothérapies. / Complex data are frequently recored in recent clinical trials and require the use of appropriate statistical methods. HIV vaccine research is an example of a domaine with complex data and a lack of validated endpoints for early-stage clinical trials. This thesis concerns methodological research with regards to the design and analysis aspects of HIV vaccine trials, in particular the definition of immunogenicity endpoints and phase I-II trial designs. Using cytokine multiplex data, we illustrate the methodological aspects specific to a given assay technique. We then propose endpoint definitions and statistical methods appropriate for the analysis of multidimensional immunogenicity data. We show in particular the value of non-parametric multivariate scores, which allow for summarizing information across different immunogenicity markers and for making statistical comparisons between and within groups. In the aim of contributing to the design of new vaccine trials, we present the construction of an optimized early-stage HIV vaccine design. Combining phase I and II assessments, the proposed design allows for accelerating the clinical development of several vaccine strategies in parallel. The integration of a stopping rule is proposed from both a frequentist and a Bayesian perspective. The methods advocated in this thesis are transposable to other research domains with complex data, such as imaging data or trials of other immune therapies.
112

Personlighetsanpassad pedagogik? : En intervjustudie om hur sångpedagoger ser på beteendetestet DiSC som redskap i undervisningen / Personality-oriented pedagogy? : A qualitative study of vocal teachers’ views on the behavioral test DiSC as a teaching tool

Reinholdsson, Sofie January 2017 (has links)
Syftet med detta arbete är att undersöka hur användningen av beteendetestet DiSC påverkar sångpedagogers undervisning. Tre sångpedagoger har därför fått göra ett varsitt DiSC-test och utifrån informationen i DiSC Classic Personprofil övat på att anpassa sitt beteende till tre till fyra elever vardera under tre veckor. Detta följdes av kvalitativa intervjuer med varje sångpedagog. Den teoretiska utgångspunkten för arbetet är ett designteoretiskt perspektiv. Resultatet visar att sångpedagogerna fått en ny syn på sina (för studien valda) elever. Sångpedagogerna har utifrån detta anpassat sin design av undervisningen till varje elev, vilket bland annat resulterat i att sångpedagogerna upplevt en ökad förståelse och bättre kommunikation- och personkemi till eleven. De upplever vidare att eleven utvecklats snabbare och att välbefinnandet ökat för både lärare och elev. De upplever även att DiSC i många fall svarat mot de tidigare problemområden de upplevt i undervisningssituationen. Sångpedagogerna har redan innan undersökningen förståelse för att de som lärare behöver bemöta varje enskild elev individuellt, men uttrycker efter detta ett stort behov av konkreta redskap, som DiSC, som beskriver hur de kan göra detta. Sångpedagogerna anser att DiSC har varit utvecklande för deras pedagogiska design. Vidare diskuteras, utifrån ett designteoretiskt perspektiv och utifrån tidigare forskning, bland annat huruvida elevers motivation påverkas av DiSC och om användandet av DiSC i undervisningen underlättar för lärare att nå sina egna- eller elevens mål. / The purpose of this study is to investigate how the use of the DiSC behavior test affects the teaching of vocal teachers. Three vocal teachers have therefore done a DiSC test and based on the information in DiSC Classic personal profile practiced adjusting their behavior to three to four students each over the course of three weeks. This was followed by qualitative interviews with each vocal teacher. The theoretical starting point for the work is a design theoretical perspective. The results show that the voice teachers developed a new view of the students chosen for the study. Based on this, the vocal teachers have adjusted their behavior and their teaching design toward each student, which among other things has resulted in the vocal teachers experiencing an increased understanding and better communication and personal chemistry in relation to the student. Furthermore, they experience that the student has developed faster and that the well-being of both teacher and student has improved. They also experience that DiSC has in many cases provided an answer for previous problem areas they have experienced in teaching situations. Even before the study, the vocal teachers understood that they as teachers needed to treat every individual student individually, but afterwards they expressed a great need for concrete tools, like DiSC, that describe how they can do this. According to the vocal teachers, DiSC has been developmental for their teaching design. Furthermore, the effect of DiSC on students’ motivation, among other topics, is discussed from a design-theoretical perspective and based on previous research. Another question that is discussed is whether the use of DiSC in teaching facilitates teachers reaching their own goals or those of the students.
113

Evaluating of DNP3 protocol over serial eastern operating unit substations and improving SCADA performance

Njova, Dion 14 July 2021 (has links)
A thesis which models the DNP3 and IEC 61850 protocol in OPNET / Supervisory Control and Data Acquisition (SCADA) is a critical part of monitoring and controlling of the electrical substation. The aim of this dissertation is to investigate the performance of the Distributed Network Protocol Version 3.3 (DNP3) protocol and to compare its performance to that of International Electro-technical Commission (IEC) 61850 protocol in an electrical substation communication network environment. Building an electrical substation control room and installing the network equipment was going to be expensive and take a lot of time. The better option was to build a model of the electrical substation communication network and run simulations. Riverbend modeller academic edition known as Optimized Network Engineering Tool (OPNET) was chosen as a software package to model substation communication network, DNP3 protocol and IEC 61850 Protocol stack. Modelling the IEC 61850 protocol stack on OPNET involved building the used Open System Interconnection (OSI) layers of the IEC 61850 protocol stack onto the application definitions of OPNET. The Transmission Control Protocol/Internet Protocol (TCP/IP) configuration settings of DNP3 protocol were also modelled on the OPNET application definitions. The aim is to compare the two protocols and determine which protocol is the best performing one in terms of throughput, data delay and latency. The substation communication model consists of 10 ethernet nodes which simulate protection Intelligent Electronic Devices (IEDs), 13 ethernet switches, a server which simulates the substation Remote Terminal Unit (RTU) and the DNP3 Protocol over TCP/IP simulated on the model. DNP3 is a protocol that can be used in a power utility computer network to provide communication service for the grid components. DNP3 protocol is currently used at Eskom as the communication protocol because it is widely used by equipment vendors in the energy sector. DNP3 protocol will be modelled before being compared to the new recent robust protocol IEC 61850 in the same model and determine which protocol is the best for Eskom on the network of the power grid. The network load and packet delay parameters were sampled when 10%, 50%, 90% and 100% of devices are online. The IEC 61850 protocol model has three scenarios and they are normal operation of a Substation, maintenance in a Substation and Buszone operation at a Substation. In these scenarios packet end to end delay of Generic Object Oriented Substation Event (GOOSE), vi © University of South Africa 2020 Generic Substation Status Event (GSSE), Sampled Values (SV) and Manufacturing Messaging Specification (MMS) messages are monitored. The throughput from the IED under maintenance and the throughput at the Substation RTU end is monitored in the model. Analysis of the results of the DNP3 protocol simulation showed that with an increase in number of nodes there was an increase in packet delay as well as the network load. The load on the network should be taken into consideration when designing a substation communication network that requires a quick response such as a smart gird. GOOSE, GSSE, SV results on the IEC 61850 model met all the requirements of the IEC 61850 standard and the MMS did not meet all the requirements of the IEC standard. The design of the substation communication network using IEC 61850 will assist when trying to predict the behavior of the network with regards to this specific protocol during maintenance and when there are faults in the communication network or IED’s. After the simulation of the DNP3 protocol and the IEC 61850 the throughput of DNP3 protocol was determined to be in the range (20 – 450) kbps and the throughput of IEC61850 protocol was determined to be in the range (1.6 – 16) Mbps. / College of Engineering, Science and Technology / M. Tech. (Electrical Engineering)
114

Designing High Performance Shared-Address-Space and Adaptive Communication Middlewares for Next-Generation HPC Systems

Hashmi, Jahanzeb Maqbool 17 September 2020 (has links)
No description available.
115

Topologieoptimierung im Creo-Umfeld mit ProTopCI

Simmler, Urs 22 July 2016 (has links)
Wikipedia umschreibt die Topologieoptimierung als ein computerbasiertes Berechnungsverfahren, durch welches eine günstige Grundgestalt (Topologie) für Bauteile unter mechanischer Belastung ermittelt werden kann. Durch die Verwendung von 3D-Druck-Verfahren wird die Gestaltung der Komponenten revolutioniert, weil diese nicht mehr abhängig vom Fertigungsverfahren sind. Dabei werden auch optimale Gitterstrukturen innerhalb der Komponenten immer wichtiger. Diese neuen Herausforderungen können im Creo Umfeld mit ProTopCI (Hersteller CAESS, PTC Partner Advantage, Silver) elegant gelöst werden. Im Vortrag (mit Live-Demonstration) werden die neuen Möglichkeiten dieser innovativen Lösung beleuchtet: Modellerzeugung in Creo Simulate (FEM-Mode): - Verschiedene Lastfälle, - Kontakte, - Schraubenverbindungen, - CAD-Geometrie, - zu optimierende Bereiche, ... Technologische Randbedingungen zur Berücksichtigung des Fertigungsverfahren Innovatives Erzeugen/Optimieren der Gitterstrukturen Glätten, Exportieren der optimierten Geometrie
116

Reduced-Order Rotor Performance Modeling for Martian Flight Vehicle Design

Bensignor, Isaac Solomon 26 October 2022 (has links)
No description available.
117

Integrale Planung und Herstellung von ressourceneffizienten Betonbauteilen aus mineralischer Faserverbundbewehrung und gradiertem Beton

Nigl, David, Schmeer, Daniel, Haase, Walter, Schönemann, Benjamin, Lenz, Katrin, Steier, Steffen, Sawodny, Oliver, Leistner, Philip, Blandini, Lucio, Sobek, Werner 21 July 2022 (has links)
Das Ziel des vorliegenden Projektes war es, eine sortenreine und gewichtsoptimierte Betonbauweise unter Einsatz mineralischer und lastpfadgerechter Faserverbundbewehrungen zur vorwettbewerblichen Anwendung weiterzuentwickeln, um damit neue Geschäftsfelder für KMU im Bereich des Bauwesens zu eröffnen sowie längerfristig den Technologiestandort Baden-Württemberg zu stärken. Dabei knüpft das Projekt nahtlos an die Arbeiten aus dem SPP 1542 – Leicht bauen mit Beton – an. Der vorliegende Kurzbericht fasst die Forschungsergebnisse zusammen. Für eine ausführlichere Beschreibung der Arbeiten sowie die Darstellung der Ausgangslage wird auf [1] sowie auf die Homepage [2] verwiesen. / The objective of the current project is to further develop a weight-optimised concrete construction method using mineral and load-path compatible fibre-composite reinforcements for pre-commercial applications. The outcome of the project could open new business opportunities for small- and mid-size enterprises in the construction sector and, in the longer term, strengthen Baden-Württemberg as a technology hub. The project seamlessly ties in with the previous work from SPP 1542, the results of which are summarised in this short report. For a more detailed description of the work readers are referred to [1] as well as to the homepage [2].
118

Optimal design of urban sewer systems

Saldarriaga, Juan 04 March 2024 (has links)
Tesis por compendio / [ES] Los sistemas de drenaje urbano, también conocidos como sistemas de alcantarillado, tienen el propósito de drenar tanto las aguas lluvias como las aguas residuales de nuestras ciudades. Estos sistemas son una de las diferentes infraestructuras civiles que permiten el correcto funcionamiento de las ciudades actuales. Los sistemas de alcantarillados pluviales se encargan de mover las aguas lluvias que caen en la ciudad en forma segura y en un tiempo razonable, sin permitir inundaciones, hacia los cuerpos receptores naturales localizados aguas abajo. Los sistemas de alcantarillado sanitario, por otra parte, tienen el objetivo de recolectar las aguas servidas, de origen domiciliario, industrial y comercial, y trasportarlas en forma segura hacia una planta de tratamiento de aguas residuales antes de enviarlas en forma definitiva hacia un cuerpo receptor o hacia un sistema de reuso, en caso de que este exista. Ambos tipos de alcantarillado, pero particularmente los sanitarios, tienen un profundo impacto sobre la salud pública con implicaciones sobre la viabilidad de una ciudad. La infraestructura de drenaje urbano existente plantea nuevos retos a la ingeniería hidráulica urbana. Por un lado, los sistemas de drenaje de aguas lluvias, además de verse sometidos a problemas de envejecimiento con deterioros de materiales y asentamientos de suelos, se están enfrentando a serios problemas causados por el Cambio Climático. En muchas ciudades este fenómeno está implicando cambios radicales en la hidrología urbana; en muchas ciudades las intensidades y frecuencias de los eventos de lluvia están aumentando con lo cual los sistemas existentes, que fueron diseñados para hidrologías diferentes, se quedan sin capacidad aumentando la frecuencia de las inundaciones urbanas con sus consecuencias sobre la seguridad y salud humana. Por otro lado, los sistemas sanitarios también presentan retos a la ingeniería por problemas de aumento de la densidad poblacional de las ciudades, la falta de resiliencia ante eventos externos como sismos, y a problemas de calidad de agua en los cuerpos receptores al interior de las zonas urbanas, en las aguas freáticas y las corrientes naturales de agua. Estos sistemas también se ven afectados por el deterioro de los materiales y los problemas de asentamiento de los suelos. Ahora, un problema diferente es la no existencia de sistemas de drenaje urbano en muchas ciudades de nuestro mundo, particularmente en aquellas localizadas en países en vías de desarrollo. En la gran mayoría de esos casos, esa falta de alcantarillados es causada por el alto costo de esa infraestructura cuya construcción hace inviable para los gobiernos locales. Además, el crecimiento de las zonas urbanas en esos países agrava el problema. No solamente la infraestructura necesaria se hace más grande y compleja, sino que aumentan los problemas de salud pública asociados con la falta de sanidad ambiental. Por consiguiente, el reto para la ingeniería hidráulica urbana moderna es lograr un mayor acceso a ese servicio esencial. Una de las formas de resolverlo es bajando los costos de construcción y operación de los sistemas de drenaje, haciéndolos financieramente viables a la vez que se mantienen su resiliencia y seguridad. De esta manera se ayudará a cumplir con el Objetivo de Desarrollo Sostenible No. 6 Agua Limpia y Saneamiento. Teniendo en cuenta lo anterior, el objetivo de esta tesis fue proponer una metodología que llevara al diseño de mínimo costo de redes de alcantarillado convencionales, manteniendo su resiliencia y facilidad de operación, a la vez que se cumplieran todas las restricciones hidráulicas, constructivas y de operación que, de acuerdo con la experiencia empírica internacional, son las apropiadas para garantizar un correcto comportamiento del sistema de drenaje. El diseño optimizado de una red de alcantarillado está compuesto por dos partes mutuamente dependientes: la selección del árbol y el diseño hidráulico. En esta tesis se resolvieron / [CA] Els sistemes de drenatge urbà, també coneguts com a sistemes de clavegueram, tenen el propòsit de drenar tant les aigües pluges com les aigües residuals de les nostres ciutats. Aquests sistemes són una de les diferents infraestructures civils que permeten el correcte funcionament de les ciutats actuals. Els sistemes de claveguerams pluvials s'encarreguen de moure les aigües pluges que cauen a la ciutat en forma segura i en un temps raonable, sense permetre inundacions, cap als cossos receptors naturals localitzats aigües avall. Els sistemes de clavegueram sanitari, d'altra banda, tenen l'objectiu de recol·lectar les aigües servides, d'origen domiciliari, industrial i comercial, i transportar-les en forma segura cap a una planta de tractament d'aigües residuals abans d'enviar-les en forma definitiva cap a un cos receptor o cap a un sistema de reuse, en cas que aquest existisca. Tots dos tipus de clavegueram, però particularment els sanitaris, tenen un profund impacte sobre la salut pública amb implicacions sobre la viabilitat d'una ciutat. La infraestructura de drenatge urbà existent planteja nous reptes a l'enginyeria hidràulica urbana. D'una banda, els sistemes de drenatge d'aigües pluges, a més de veure's sotmesos a problemes d'envelliment amb deterioracions de materials i assentaments de sòls, s'estan enfrontant a seriosos problemes causats pel Canvi Climàtic. En moltes ciutats aquest fenomen està implicant canvis radicals en la hidrologia urbana; en moltes ciutats les intensitats i freqüències dels esdeveniments de pluja estan augmentant amb la qual cosa els sistemes existents, que van ser dissenyats per a hidrologies diferents, es queden sense capacitat augmentant la freqüència de les inundacions urbanes amb les seues conseqüències sobre la seguretat i salut humana. D'altra banda, els sistemes sanitaris també presenten reptes a l'enginyeria per problemes d'augment de la densitat poblacional de les ciutats, la falta de resiliència davant esdeveniments externs com a sismes, i a problemes de qualitat d'aigua en els cossos receptors a l'interior de les zones urbanes, en les aigües freàtiques i els corrents naturals d'aigua. Aquests sistemes també es veuen afectats per la deterioració dels materials i els problemes d'assentament dels sòls. Ara, un problema diferent és la no existència de sistemes de drenatge urbà en moltes ciutats del nostre món, particularment en aquelles localitzades en països en vies de desenvolupament. En la gran majoria d'aqueixos casos, aqueixa falta de claveguerams és causada per l'alt cost d'aqueixa infraestructura la construcció de la qual fa inviable per als governs locals. A més, el creixement de les zones urbanes en aqueixos països agreuja el problema. No solament la infraestructura necessària es fa més gran i complexa, sinó que augmenten els problemes de salut pública associats amb la falta de sanitat ambiental. Per consegüent, el repte per a l'enginyeria hidràulica urbana moderna és aconseguir un major accés a aqueix servei essencial. Una de les maneres de resoldre-ho és baixant els costos de construcció i operació dels sistemes de drenatge, fent-los financerament viables alhora que es mantenen la seua resiliència i seguretat. D'aquesta manera s'ajudarà a complir amb l'Objectiu de Desenvolupament Sostenible No. 6 Aigua Neta i Sanejament. Tenint en compte l'anterior, l'objectiu d'aquesta tesi va ser proposar una metodologia que portara al disseny de mínim cost de xarxes de clavegueram convencionals, mantenint la seua resiliència i facilitat d'operació, alhora que es compliren totes les restriccions hidràuliques, constructives i d'operació que, d'acord amb l'experiència empírica internacional, són les apropiades per a garantir un correcte comportament del sistema de drenatge. El disseny optimitzat d'una xarxa de clavegueram està compost per dues parts mútuament dependents: la selecció de l'arbre i el disseny hidràulic. En aquesta tesi es van resoldre els dos problemes en forma separada des del punt / [EN] Urban drainage systems, also known as sewer systems, have the purpose of draining both rainwater and wastewater from our cities. These systems are one of the different civil infrastructures that allow the proper functioning of modern cities. Stormwater systems are responsible for moving the rainwater that falls in the city safely and in a reasonable time, without allowing flooding, to the natural receiving bodies located downstream. On the other hand, wastewater systems are designed to collect sewage from domestic, industrial, and commercial sources and transport it safely to a wastewater treatment plant before sending it definitively to a receiving body or to a reuse system, if available. Both types of sewer systems, but particularly wastewater systems, have an extensive impact on public health with implications for the viability of a city. The existing urban drainage infrastructure presents new challenges to urban hydraulic engineering. On the one hand, stormwater systems, in addition to being subjected to aging problems with deterioration of materials and soil settlement, are facing serious problems caused by climate change. In many cities this phenomenon is implying radical changes in urban hydrology; intensities and frequencies of rainfall events are increasing so that the existing systems, which were designed for different hydrological conditions, are running out of capacity, increasing the frequency of urban flooding with its consequences on safety and human health. On the other hand, wastewater systems also present engineering challenges due to problems of increasing population density in cities, lack of resilience to external events such as earthquakes, and water quality problems in receiving waters within urban areas, in groundwater, and natural water currents. These systems are also affected by the deterioration of materials and soil settlement problems. Now, a different problem is the non-existence of urban drainage systems in many cities of the world, particularly in those located in developing countries. In the vast majority of these cases, the lack of sewers is caused by the high cost of this infrastructure, making its construction unfeasible for local governments. In addition, the growth of urban areas in these countries exacerbates the problem. Not only does the necessary infrastructure become larger and more complex, but the public health problems associated with the lack of environmental sanitation increase. Therefore, the challenge for modern urban water engineering is to achieve greater access to this essential service. One way to solve this is by lowering the construction and operating costs of drainage systems, making them financially viable while maintaining their resilience and safety. This will help meet Sustainable Development Goal No. 6 Clean Water and Sanitation. Considering the above, the aim of this thesis was to propose a methodology that would lead to the minimum cost design of conventional sewer networks, maintaining their resilience and ease of operation, while complying with all the hydraulic, constructive, and operational restrictions that, according to international empirical experience, are appropriate to guarantee a correct behavior of the drainage system. The optimized design of a sewer network is composed of two mutually dependent parts: the layout selection and the hydraulic design. In this thesis, the two problems were solved separately from a mathematical point of view, maintaining their interdependence through an iterative process. For a given layout, which could be random for a first iteration, the hydraulic design problem was solved as a shortest path problem using the Bellman-Ford algorithm that guarantees the global minimum cost for that layout. The problem is model as a directed graph in which the nodes represent the combination of diameters and invert elevations at every manhole, and the arcs represent the diameter and upstream and downstream invert elevation of a specific pi / Saldarriaga, J. (2024). Optimal design of urban sewer systems [Tesis doctoral]. Universitat Politècnica de València. https://doi.org/10.4995/Thesis/10251/202962 / Compendio
119

Exact nonadiabatic many-body dynamics

Flick, Johannes 23 August 2016 (has links)
Chemische Reaktionen in der Natur sowie Prozesse in synthetischen Materialien werden oft erst durch die Wechselwirkung von Licht mit Materie ausgelöst. Üblicherweise werden diese komplexen Prozesse mit Hilfe von Näherungen beschrieben. Im ersten Teil der Arbeit wird die Gültigkeit der Born-Oppenheimer Näherung in einem vibronischen Modellsystem (Trans-Polyacetylene) unter Photoelektronenspektroskopie im Gleichgewicht sowie zeitaufgelöster Photoelektronenspektroskopie im Nichtgleichgewicht überprüft. Die vibronische Spektralfunktion zeigt aufgrund des faktorisierten Anfangs- und Endzustandes in der Born-Oppenheimer Näherung zusätzliche Peaks, die in der exakten Spektralfunktion nicht auftreten. Im Nichtgleichgewicht zeigen wir für eine Franck-Condon Anregung und eine Anregung mit Pump-Probe Puls, wie die Bewegung des vibronischen Wellenpaktes im zeitabhängigen Photoelektronenspektrum verfolgt werden kann. Im zweiten Teil der Arbeit werden sowohl die Materie als auch das Licht quantisiert behandelt. Für eine volle quantenmechanische Beschreibung des Elektron-Licht Systems, verwenden wir die kürzlich entwickelte quantenelektrodynamische Dichtefunktionaltheorie (QEDFT) für gekoppelte Elektron-Photon Systeme. Wir zeigen erste numerische QEDFT-Berechnungen voll quantisierter Atome und Moleküle in optischen Kavitäten, die an das quantisierte elektromagnetische Feld gekoppelt sind. Mit Hilfe von Fixpunktiterationen berechnen wir das exakte Kohn-Sham Potential im diskreten Ortsraum, wobei unser Hauptaugenmerk auf dem Austausch-Korrelations-Potential liegt. Wir zeigen die erste Näherung des Austausch-Korrelations-Potentials mit Hilfe eines optimierten effektiven Potential Ansatzes angewandt auf einen Jaynes-Cummings-Dimer. Die dieser Arbeit zugrunde liegenden Erkenntnisse und Näherungen ermöglichen es neuartige Phänomene an der Schnittstelle zwischen den Materialwissenschaften und der Quantenoptik zu beschreiben. / Many natural and synthetic processes are triggered by the interaction of light and matter. All these complex processes are routinely explained by employing various approximations. In the first part of this work, we assess the validity of the Born-Oppenheimer approximation in the case of equilibrium and time-resolved nonequilibrium photoelectron spectra for a vibronic model system of Trans-Polyacetylene. We show that spurious peaks appear for the vibronic spectral function in the Born-Oppenheimer approximation, which are not present in the exact spectral function of the system. This effect can be traced back to the factorized nature of the Born-Oppenheimer initial and final photoemission states. In the nonequilibrium case, we illustrate for an initial Franck-Condon excitation and an explicit pump-pulse excitation how the vibronic wave packet motion can be traced in the time-resolved photoelectron spectra as function of the pump-probe delay. In the second part of this work, we aim at treating both, matter and light, on an equal quantized footing. We apply the recently developed quantum electrodynamical density-functional theory, (QEDFT), which allows to describe electron-photon systems fully quantum mechanically. We present the first numerical calculations in the framework of QEDFT. We focus on the electron-photon exchange-correlation contribution by calculating exact Kohn-Sham potentials in real space using fixed-point inversions and present the performance of the first approximate exchange-correlation potential based on an optimized effective potential approach for a Jaynes-Cummings-Hubbard dimer. This work opens new research lines at the interface between materials science and quantum optics.
120

Optimization of steam/solvent injection methods: Application of hybrid techniques with improved algorithm configuration

Algosayir, Muhammad M Unknown Date
No description available.

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