This master´s thesis deals with synchronous motor model creation in MATLAB – Simulink program, with purpose of usage in AC Drives class. Models are created for motor with permanent magnets and for motor with wound rotor. The models are designed to enable simulation with both different longitudinal and transverse inductance, thus with salient rotor and non-salient rotor. The models can also be powered directly from three-phase sinusoidal source or a simple vector control can be used for their acceleration. All models are aligned so that their parameters can be set in only one m-file. Furthermore, automatic generation of phasor diagrams for steady-state motor, which serves as an interactive tool in class, is also created.

The capability to probe the dispersion of elementary spin, charge, orbital, and lattice excitations has positioned resonant inelastic x-ray scattering (RIXS) at the forefront of photon science. In this work, we will investigate how RIXS can contribute to a deeper understanding of the orbital properties and of the pairing mechanism in unconventional high-temperature superconductors. In particular, we will show how direct RIXS spectra of magnetic excitations can reveal long-range orbital correlations in transition metal compounds, by discriminating different kind of orbital order in magnetic and antiferromagnetic systems. Moreover, we will show how RIXS spectra of quasiparticle excitations in superconductors can measure the superconducting gap magnitude, and reveal the presence of nodal points and phase differences of the superconducting order parameter on the Fermi surface. This can reveal the properties of the underlying pairing mechanism in unconventional superconductors, in particular cuprates and iron pnictides, discriminating between different superconducting order parameter symmetries, such as s, d (singlet pairing) and p wave (triplet pairing).

Die vorliegende Promotionsarbeit “Density functional study of the electronic and magnetic properties of selected transition metal complexes” beschäftigt sich mit dem Zusammenhang zwischen strukturellen Merkmalen sowie elektronischen und magnetischen Eigenschaften von Einzelmolekül-Magneten. Im Wesentlichen konnte dabei gezeigt werden, dass die magnetischen Eigenschaften sowohl von strukturellen Merkmalen als auch von den elektronischen Eigenschaften bestimmt werden. Des Weiteren ergab sich, dass verschiedene Kenngrößen der magnetischen Eigenschaften (im speziellen der magnetische Grundzustand S sowie die magnetische Anisotropie D) miteinander korreliert sind. Dies ist im Besonderen für eine mögliche Anwendung von Einzelmolekül-Magneten im Bereich der Datenspeicherung von Bedeutung.

Die 17 Elemente der Seltenen Erden sind Bestandteil vieler Hochtechnologieprodukte, wie Elektromotoren, Spezialgläsern oder Katalysatoren, dennoch liegt die Recyclingrate aus End-of-Life-Produkten derzeit unter 1 %. Mit der Feststoffchlorierung wurde im Rahmen dieser Arbeit eine chemikalien- und kostensparende Methode für den Aufschluss Seltener Erden aus Leuchtstoff- und Magnetabfällen untersucht. Dabei wurden die gemahlenen Edukte mit NH4Cl vermischt und anschließend im Drehrohrofen erhitzt. Durch thermische Zersetzung des NH4Cl wird HCl- und NH3-Gas freigesetzt. Ersteres überführt die Seltenen Erden in die wasserlöslichen Metallchloride, während der NH3 im Prozess als Lösung in 5N-Reinheit anfiel. Die Seltenerdausbeuten lagen je nach Ausgangsstoff zwischen 83,9 und 99,9 %. Die Optimierung der Feststoffchlorierung erfolgte anhand statistischer Versuchspläne, wodurch neue, überraschende Erkenntnisse im Hinblick auf Reaktionsverläufe, Selektivitäten und Prozessführung gewonnen werden konnten.:Danksagung iii Publikationsliste iv Inhaltsverzeichnis vii Abkürzungsverzeichnis ix 1. Einleitung 1 2. Seltene Erden 4 2.1 Wirtschaftliche Bedeutung 4 2.2 Primärrohstoffe 9 2.3 Sekundärrohstoffe 16 2.3.1 Recycling von Altmagneten 24 2.3.2 Recycling von Leuchtstoffabfällen 27 3. Feststoffchlorierung 33 3.1 Leuchtstoffe 33 3.1.1 Ausgangsstoff und Eingangsanalytik 33 3.1.2 Zersetzung des NH4Cl 36 3.1.3 Reaktordesign 41 3.1.4 Orientierungsversuche 46 3.1.5 Optimierung 51 3.1.6 Recyclingprozess 66 3.1.7 Fazit 70 3.2 Fe14Nd2B-Magneten 71 3.2.1 Ausgangsstoff und Eingangsanalytik 71 3.2.2 Orientierungsversuche 75 3.2.3 Optimierung nach 33-Box-Behnken 79 3.2.4 Aufklärung des fehlenden NH4Cl-Einflusses 81 3.2.5 Optimierung nach 43-Box-Behnken 88 3.2.6 Einfluss der Partikelgrößen 99 3.2.7 Zusammensetzung der Gasphase 104 3.2.8 Reinheit der NH3-Lösung 106 3.2.9 Fällung der Seltenen Erden 109 3.2.10 Recyclingprozess 112 3.2.11 Fazit 120 3.3 SmCo5-Magneten 121 3.3.1 Ausgangsstoff und Eingangsanalytik 121 3.3.2 Orientierungsversuche 126 3.3.3 Optimierung nach 43-Box-Behnken 128 3.3.4 Nachweis der Teilselektivität 133 3.3.5 Fazit 140 4. Zusammenfassung und Ausblick 142 5. Experimenteller Teil 145 5.1 Materialien und Chemikalien 145 5.2 Geräte 146 5.3 Analytische Methoden 146 5.4 Versuchsvorschriften 151 Literatur 156 Anhang 163

This work has been devoted to the study of phase transformations involving chemical ordering and magnetic properties evolution in bulk Fe-Pt alloys composed of nanometer-sized grains. A comprehensive study of phase transformations and ordering in Fe-Pt alloys is performed by a combination of in-situ neutron powder diffraction and thermal analysis. The dependence of ordering processes on the alloy composition and initial microstructure (homogeneous A1 phase or multilayer-type) is established. Through the use of mechanical alloying and subsequent heat treatment it has been possible to achieve the formation of chemically highly ordered L10 FePt and, in the case of the Fe-rich and Pt-rich compositions, L12 Fe3Pt and FePt3 phases, respectively. Whereas in Pt-rich alloys the decoupling effect of the FePt3 phase leads to coercivity improvement, in Fe-rich nanocomposites a peculiar nanometer scale multilayer structure gives rise to remanence enhancement due to large effects of exchange interactions between the crystallites of the phases. The structure, magnetic properties and magnetisation reversal processes of these alloys are investigated. Experimentally observed phenomena are understood on the basis of a simple two-particle interaction model. Neutron diffraction has also been used for the investigation of the magnetic structure of ordered and partially ordered nanocrystalline Fe-Pt alloys. It has been shown that the magnetic moment of Fe atoms in L10-type Fe Pt alloys is sensitive to the compositional order. The results are compared to density functional calculations.

In this work a numerical approach for the determination of the energy spectra and the calculation of thermodynamic properties of magnetic molecules is presented. The work is focused on the treatment of spin systems which exhibit point-group symmetries. Ring-like and archimedean-type structures are discussed as prominent examples. In each case the underlying spin quantum system is modeled by an isotropic Heisenberg Hamiltonian. Its energy spectrum is calculated either by numerical exact diagonalization or by an approximate diagonalization method introduced here. In order to implement full spin-rotational symmetry the numerical approach at hand is based on the use of irreducible tensor operators. Furthermore, it is shown how an unrestricted use of point-group symmetries in combination with the use of irreducible tensor operators leads to a reduction of the dimensionalities as well as to additional information about the physics of the systems. By exemplarily demonstrating how the theoretical foundations of the irreducible tensor operator technique can be realized within small spin systems the technical aspect of this work is covered. These considerations form the basis of the computational realization that was implemented and used in order to get insight into the investigated systems.

The details of the interplay between the electronic structure and the magnetic properties of matter represent a state of the art challenge. In the present work spectroscopic investigations on the electronic structure of some interesting materials are presented. The achieved information has been used in order to answer specific questions related to the magnetic behavior of the investigated materials. For the transition metal dicyanamide compounds it is shown that the electronic states arising from carbon and nitrogen remain roughly unchanged for all compositions. A model for the magnetic superexchange interaction was proposed. In this model the geometry of the crystallographic structure accounts for a particular interaction pattern while the occupancy of the 3d transition metal band is the factor which triggers the changeover from antiferromagnetic to ferromagnetic interaction. In the case of six-membered ferric-wheel molecules the comparison between experimental and theoretical data issued estimations for the magnitude of magnetic exchange interactions. The information on the electronic structure of the LaNi5-xMex (Me=Cu, Al) allowed a better understanding of their magnetic behavior. The changes induced in the electronic structure of the parent compound by partial substitutions of nickel by copper or aluminum are discussed.

Durant la phase de conception, les différentes équipes d’ingénierie procèdent à de multiples simulations par éléments finis traitant les comportements physiques variés afin d’assurer la vérification et la validation.Cependant, les résultats insatisfaisants engendrent des changements tardifs et par conséquent de longues itérations et des coûts croissants.Pour répondre à cette problématique, il est essentiel de prendre en considération les contraintes géométriques et multi-physiques dès la phase de préconception.En effet, un processus appelé SAMOS est développé visant à sélectionner l’architecture multi-physique 3D la plus adéquate tout en garantissant une collaboration efficace entre les équipes d’ingénieurs. D’ailleurs, il est basé sur deux extensions en SysML permettant l’enrichissement de l’architecture par des informations géométriques et multi-physiques.D’autre part, cette thèse se focalise sur l’étude des contraintes magnétiques et du couplage magnétique-thermique.Comme cette phase ne supporte pas les simulations par éléments finis, les modèles analytiques basés sur des géométries simplifiées sont suffisants pour fournir des résultats approximatifs satisfaisants.Dans ce contexte, différents modèles analytiques sont étudiés et validés à travers des simulations par éléments finis et des mesures pour plusieurs cas tels que les aimants permanents en Néodyme. En fait, l’augmentation de température ne fait pas seulement diminuer la densité du flux magnétique rémanente mais il est capable de causer des pertes irréversibles. En effet, lorsqu’on revient à la température initiale, les caractéristiques de l’aimant sont modifiées. Les différents facteurs affectant le processus de démagnétisation sont examinés.De plus, l’impact de la température sur les performances d’un moteur sans balais est étudié étant donné que ce dispositif représente un système mécatronique complexe. / During the design phase, the different engineering teams make multiple FE simulations dealing with various physical behaviours in order to ensure both verification and validation.However, the unsatisfactory results lead to late changes and hence to long iterations and increasing costs.In order to tackle this problem, it is essential to take into account the geometrical and multi-physical constraints in the complex system architecture since the conceptual design phase.In fact, a process called SAMOS is developed aiming at selecting the most adequate 3D multi-physical architecture while ensuring an efficient collaboration between the engineering teams. Moreover, this framework is based on two SysML extensions which allow the enrichment of the architecture with geometrical and multi-physical data.Furthermore, this thesis focuses on magnetic constraints and magnetic-thermal coupling.Since this phase does not support long FE simulations, the analytical models based on simplified geometries are sufficient to provide satisfactory approximate results.In this context, different analytical models are studied and validated through FE simulations and measures for several cases such as NdFeB permanent magnets. Indeed, the temperature rise does not only decrease the remanent flux density but is able also to cause irreversible losses. In fact, once we go back to the initial temperature, the characteristics of the magnet are modified. The different factors impacting the demagnetization process are discussed.Besides, the temperature impact on brushless motors’ performances is studied since this device represents a complex mechatronic system.

A small-scale wave energy converter was designed and built for teaching and academic purposes to be used at The Division for Electricity, in the Ångström Laboratory at Uppsala University. The design of the power take-off (PTO) makes use of magnets passing through a copper coil for electricity generation. The magnets are attached by a string to the floating buoy in the small-scale wave tank which leads to a joint oscillation. Design parameters are executed using COMSOL Multiphysics which illustrates the total voltage output generated as well as the total magnetic field. Simulations and calculations in MATLAB were performed to extract the expected damping coefficient and plots of the buoy position compared to the wave amplitude. Lastly, a PTO prototype were built and compared with the simulations. The PTO shows electricity generation with the aid of a voltmeter showcasing the voltage. Additional information on future improvements to further aid teaching and academic understanding of wave energy converter are mentioned in the final section of this study.

Der Einfluss von Nichtlinearitäten höherer Ordnung der Magnetfelder auf die Leistung des Large Hadron Collider (LHC) und dessen geplante High-Luminosity-Aufrüstung, dem HL-LHC, wurde umfangreich untersucht. Insbesondere hat sich gezeigt, dass das Vorhandensein solcher Fehler in den Insertion Regions (IR) erhebliche Auswirkungen hat, bedingt durch hohe Beta-Funktionen und Feed-Down auf niedrigere Ordnungen aufgrund der Kreuzungsschemata. Augenmerk dieser Arbeit ist auf die Erforschung diverser Methoden zur effektiven Behandlung dieser Nichtlinearitäten höherer Ordnung gerichtet, mit dem Ziel, sie zu identifizieren und korrigieren, um die Strahloptik zu optimieren und die Maschinenleistung zu verbessern. Simulationsstudien werden eingesetzt, in denen mit verschiedenen Fehlerquellen assoziierte Resonanzantreibende Terme (RDTs) gezielt angegangen werden. Besondere Aufmerksamkeit gilt Dekapol- und Dodekapolfehlern, die in früheren Messungen im LHC schädliche Auswirkungen durch Feed-Down auf Amplituden-Detuning gezeigt haben. Die erwartete Erhöhung der Sensitivität der Optik gegenüber Fehlern in den IRs des HL-LHC unterstreicht weiter die Bedeutung der Behandlung dieser Fehler. Des Weitern werden Korrekturoptionen mit Hilfe der nichtlinearen Korrektorpaketen entwickelt. Experimentelle Studien werden durchgeführt, um die Ergebnisse zu validieren. Erhebliche Anstrengungen wurden unternommen, um die Feed-Down Effekte von Dekapol- und Dodekapol-Feldfehlern zu mindern. Um diese Herausforderung anzugehen, wurden neuartige Korrekturalgorithmen eingeführt, die erstmals die Dodekapol-Korrektoren in den IRs im operationellen Betrieb ansteuern. Die Ergebnisse dieser Experimente liefern wertvolle Erkenntnisse zur Minderung von Fehlern höherer Ordnung und tragen zum besseren Verständnis der Strahldynamik in modernen und zukünftigen Teilchenbeschleunigern bei. / The impact of high-order nonlinear magnetic field errors on the performance of the Large Hadron Collider (LHC) and its planned High-Luminosity upgrade, the HL-LHC, has been extensively studied. Particularly, the presence of such errors in the Insertion Regions (IR) has shown significant repercussions due to the high beta-functions and feed-down to lower orders caused by crossing schemes. This thesis aims to explore different methods for effectively addressing these high-order errors, with the ultimate goal of identifying and correcting them to optimize beam optics and enhance machine performance. Simulation studies are employed, using a novel and flexible correction algorithm developed during the course of this PhD research. Various strategies are investigated to improve corrections by targeting Resonance Driving Terms (RDTs) associated with diverse error sources. Special attention is devoted to decapole and dodecapole errors, which have demonstrated detrimental effects on amplitude detuning due to feed-down based on previous measurements in the LHC. The anticipated increase in optics sensitivity to errors in the IRs of the HL-LHC further underscores the importance of addressing these errors. Correction options are evaluated, focusing on the utilization of the nonlinear corrector packages to address errors in the new separation and recombination dipoles in the HL-LHC, where increased decapole errors had been expected. Experimental studies are conducted to validate the findings. Significant efforts are dedicated to mitigating the feed-down effects arising from decapole and dodecapole field errors. To address this challenge, novel corrections involving the operational implementation of dodecapole correctors in the IRs have been introduced for the first time. The results of these experiments provide valuable insights into the mitigation of high-order errors and contribute to the overall understanding of beam dynamics in advanced particle accelerators.