Variations of the optical detection path-length in image correlation based flow-field measurements result in strong errors in position allocation and thus lead to a strong enhancement of the measurement uncertainty of the velocity. In this contribution we use digital holography to measure the wavefront distortion induced by fluctuating phase boundary, employing spatially extended guide stars. The measured phase information is used to correct the influence of the phase boundary in the detection path employing a spatial light modulator. We analyze the potential of guide stars that are reflected by the phase boundary, i.e. the Fresnel reflex, and transmitted. Our results show, that the usage of wavefront shaping enables to strongly reduce the measurement uncertainty and to strongly improve the quality of image correlation based flow-field measurements. The approaches presented here are not limited to application in flow measurement, but could be useful for a variety of applications.

The prime objectives of contrast agents in Magnetic Resonance Imaging(MRI) is to accelerate the relaxation rate of the solvent water protons in the surrounding tissue. Paramagnetic relaxation originates from dipole-dipole interactions between the nuclear spins and the fluctuating magnetic field induced by unpaired electrons. Currently Gadolinium(III) chelates are the most widely used contrast agents in MRI, and therefore it is incumbent to extend the fundamental theoretical understanding of parameters that drive the relaxation mechanism in these complexes. Traditionally the Solomon-Bloembergen-Morgan equations have been utilized to describe relaxation times in terms, primarily of the Zeeman interaction, which is the splitting of degenerate energy levels due to an applied magnetic field. However, in compounds such as Gadolinium(III) complexes with total electron spins higher than 1 (in this case S=7/2) other interactions such as the Zero-Field Splitting(ZFS) play a significant role. ZFS is the splitting of degenerate energy levels in the absence of an external magnetic field. For this purpose, the current research delves into an understanding of the relaxation process, focusing on ZFS in various complexes of interest, using quantum chemical methods as well as molecular dynamic simulations.

Als Aerosol bezeichnet man ein Ensemble aus festen oder flüssigen Partikeln, getragen von einem gasförmigen Medium. Zur Untersuchung von einzelnen über längere Zeit berührungsfrei gespeicherten Modellaerosolpartikeln wurde ein Experiment aufgebaut und charakterisiert. Eine elektrodynamische Falle nach Paul dient zur berührungsfreien Speicherung. In verschiedenen Rezipienten können Umweltparameter, wie die Temperatur, der Druck und die Gaszusammensetzung kontrolliert werden. Mit Hilfe der elastischen Mie-Streung und der inelastischen Raman-Streuung monochromatischen Lichts wird auf die Zusammensetzung, die Größe und den Brechungsindex in situ rückgeschlossen. Eine Computer-basierte Mess- und Regelungstechnik ermöglicht Prozessstudien mit Messdauern von einigen Sekunden bis zu mehreren Tagen, in denen die Änderung oben genannter Partikeleigenschaften unter Vorgabe bestimmter Umweltparameter beobachtet werden können. Zur Abschätzung der Größe von sphärischen und kristallinen Partikeln wurde eine Methode entwickelt, die die Musteranalyse des Streulichtfernfelds mit Hilfe der räumlichen Fourier-Transformation als Grundlage hat.Schnelle Prozesse, wie z.B. die Bewegung des Teilchens in der Falle oder Phasenübergänge von gespeicherten Partikeln, können mit einer Hochgeschwindigkeitskamera aufgenommen und mit Musteranalyseverfahren charakterisiert werden.Schließlich wird die chemische Totalanalyse von einzelnen Partikeln unter Anwendung eines time-of-flight-Massenspektrometers beschrieben. Einzelne Partikel werden dazu mit Hilfe eines Transfersystems aus der Speicherumgebung in das Massenspektrometer überführt und anschließend ex situ analysiert.

The application of different analytical techniques is fundamental in forensic drug analysis. In the wake of the occurrence of large numbers of new psychoactive substances possessing similar chemical structures as already known ones, focus has been placed on applied criteria for their univocal identification. These criteria vary, obviously, depending on the applied technique and analytical approach. However, when two or more substances are proven to have similar analytical properties, these criteria no longer apply, which imply that complementary techniques have to be used in their differentiation. This work describes the synthesis of some structural analogues to synthetic cannabinoids and cathinones based on the evolving patterns in the illicit drug market. Six synthetic cannabinoids and six synthetic cathinones were synthesized, that, at the time for this study, were not as yet found in drug seizures. Further, a selection of their spectroscopic data is compared to those of already existing analogues; mainly isomers and homologues. The applied techniques were mass spectrometry (MS), Fourier transformed infrared (FTIR, gas phase) spectroscopy and nuclear magnetic resonance (NMR) spectroscopy. In total, 59 different compounds were analyzed with the  selected techniques. The results from comparison of spectroscopic data showed that isomeric substances may in some cases be difficult to unambiguously identify based only on their GC-MS EI spectra. On the other hand, GC-FTIR demonstrated more distinguishable spectra. The spectra for the homologous compounds showed however, that the GC-FTIR technique was less successful compared to GC-MS. Also a pronounced fragmentation pattern for some of the cathinones was found. In conclusion, this thesis highlights the importance of using complementary techniques for the univocal identification of synthetic cannabinoids and cathinones. By increasing the number of analogues investigated, the more may be learnt about the capabilities of different techniques for structural differentiations, and thereby providing important identification criteria leading to trustworthy forensic evidence.

A fully functioning Comprehensive nuclear-Test-Ban Treaty (CTBT) is essential for a world free of nuclear weapons. To measure radionuclides in the atmosphere in accordance with the CTBT, facilities such as SAUNA uses double coincidence techniques to discriminate between interesting Xenon isotopes. In this paper, a Monte-Carlo code (open source) based on first principles simulating a radionuclide detector has been built to investigate the viability of triple coincidence methods for measurements of $^{131m}$Xe, $^{133m}$Xe, $^{133}$Xe and $^{135}$Xe and found that by measuring $\beta - $ Ce $-$ X-ray coincides in $^{133}$Xe and $^{135}$Xe one could seperate the 30 keV photon energy region of interest by as much as $42.9 \pm 26.8$ keV and $214 \pm 50.8$ keV away from the original electron $-$ photon energy axes measured in SAUNA, using concentrations of Xenon isotopes typical for a nuclear weapons test one day after testing. The conclusion is that triple  coincidence  is  a  viable  method  for  nuclear weapons detection in light of double coincidence methods,  if only considering this  theoretical  approach.   No  conclusions  on  the  practicality  of  triple  coincidence methods in a CTBT could be drawn from these results.

The ejecta following the collision and merging of two neutron stars (kilonova) are currently considered promising sites for nucleosynthesis of r-process elements. Since the observed kilonova in 2017, GW2017817, astrophysicists have been working to analyze the collected electromagnetic spectra, trying to identify r-process elements. However, a lack of fundamental atomic data has been holding the efforts back. Motivated by spectral modelling of kilonovae out of equilibrium, this project aims to create a tool that uses line lists of spectroscopic accuracy from the Vienna Atomic Line Database (VALD) to generate energy level lists automatically for any ion. VALD in particular is used because it has wavelengths accurate enough for line identification purposes. The resulting level lists are compared to equivalent level lists from the database managed by the National Institute for Standards and Technology (NIST), in order to both ensure that the tool worked, and identify discrepancies between the databases. A number of problems with the VALD data were identified, mostly resulting in duplicate and missing energy levels. Finally, we also test the data in computations of kilonova expansion opacities in a complete solar r-process abundance mixture. Further work is needed to evaluate how damaging these problems are when modelling kilonovae, and when necessary remedy said problems. / Ejektat från en kollision och sammanslagning av två neutronstjärnor (kilonova) betraktas som lovande platser för nukleosyntes av r-processämnena. Sedan den observerade kilonovan år 2017, GW2017817, har astrofysiker försökt analysera de insamlade elektromagnetiska spektrumen för att försöka identifiera r-processämnen. Denna analys har dock hindrats på grund av en brist på fundamental atomisk data. Motiverat av spektralmodellering av kilonovor utanför ekvilibrium, syftar detta projekt på att utveckla ett verktyg för att utifrån spektroskopiskt noggranna linjelistor från Vienna Atomic Line Database (VALD) gererera listor över energinivåer automatiskt för godtycklig jon. VALD används på grund av att den har våglänger som är noggranna nog för linjeidentifiering. De resulterande nivålistorna jämförs med motsvarande nivålistor från databasen som sköts av National Institute for Standards and Technology (NIST), detta för att dels säkerställa att verktyget fungerade, dels identifiera skillnader mellan databaserna. Ett antal problem med VALD identifierades, vilka oftast resulterade i dubbletter eller avsaknad av energinivåer. Slutligen testades datan i beräkningar av kilonova-expansionsopaciteter i en komplett solär r-process-ämnesblandning. Vidare arbete krävs för att evaluera hur skadliga dessa problem är för modellering av kilonovor, och vid behov åtgärda problemen.

Coherent detection employing multilevel modulation format has become one of the most promising technologies for next generation high speed transmission system due to the high power and spectral efficiencies. With the powerful digital signal processing (DSP), coherent optical receivers allow the significant equalization of chromatic dispersion (CD), polarization mode dispersion (PMD), phase noise (PN) and nonlinear effects in the electrical domain. Recently, the realizations of these DSP algorithms for mitigating the channel distortions in the transmission system are the most attractive investigations.  The CD equalization can be performed by the digital filters developed in the time and the frequency domain, which can suppress the fiber dispersion effectively. The PMD compensation is usually performed in the time domain with the adaptive least mean square (LMS) and constant modulus algorithms (CMA) equalization. Feed-forward and feed-back carrier phase estimation algorithms are employed to mitigate the phase noise from the transmitter and local oscillator lasers. The fiber nonlinearities are compensated by using the digital backward propagation methods based on solving the nolinear Schrodinger (NLS) equation and the Manakov equation.  In this dissertation, we present a comparative analysis of three digital filters for chromatic dispersion compensation, an analytical evaluation of carrier phase estimation with digital equalization enhanced phase noise and a brief discussion for PMD adaptive equalization. To implement these investigations, a 112-Gbit/s non-return-to-zero polarization division multiplexed quadrature phase shift keying (NRZ-PDM-QPSK) coherent transmission system is realized in the VPI simulation platform. With the coherent transmission system, these CD equalizers have been compared by evaluating their applicability for different fiber lengths, their usability for dispersion perturbations and their computational complexity. Meanwhile, the bit-error-rate (BER) floor in carrier phase estimation using a one-tap normalized LMS filter is evaluated analytically, and the numerical results are compared to a differential QPSK detection system. / QC 20110629

Renewed enthusiasm for space exploration brings more ambitious missions to light butthe constraints of chemical rockets put imposing limits on what is feasible. Nuclearthermal rockets provide an attractive and efficient alternative to shorten travel timesand increase payload. In this thesis, a dynamic model of a Nuclear thermal rocketengine is derived in order to simulate the resulting performance of the engine. Thework is inspired by a similar model on the Space Shuttle Main Engine (SSME).

Utilizing density functional theory (DFT) the Vienna Ab initio Simulation Package (VASP) was used to calculate the Raman spectra for five single-walled carbon nanotubes (SWCNTs) with chiralities (4,4), (6,6), (8,0), (12,0) and (7,1). The radial breathing mode (RBM), when compared with experimental frequencies, shows good correlation. When compared to RBM:s calculated with tight binding the frequencies calculated with DFT displayed higher accuracy. The precision of G-band frequencies were inconclusive due to lack of experimental data. The frequencies did not agree well with the results from tight-binding theory. The correctness of the Raman activity estimations using results from DFT calculations was found to be questionable. An unknown mode, which was found to be highly Raman active in the calculated spectra of (4,4), (6,6), and possibly (8,0), and (12,0), is also discussed. It was concluded that further calculations on larger tubes, especially armchair tubes are relevant for future studies. Further verification of the determination of Raman activity is also needed. / F7042T - Project in Engineering Physics

The objectives of the present project were to set up, optimise and characterise a digitalholographic microscopy (DHM) laboratory set-up designed for the study of eyetissue and to implement and optimise digital data processing and noise reductionroutines. This work is part of a collaborative project aiming to provide quantitativemethods for the in vitro and in vivo characterisation of human corneal transparency.The laboratory set-up is based on a commercial laboratory microscope with zoomfunction (a “macroscope”). In continuation of previous work, we completed and optimised,and extended a software for holographic signal processing and numericalpropagation of the wavefront.To characterise the set-up and quantify its performances for standard operationand in its DHM configuration, we compare the magnification and resolution to theoreticalvalues for a given set of parameters. We determined the magnification factorand the rotation angle between the object and camera planes. With a laser wavelengthof 532 nm, a x1 objective and a zoom setting of x2.9 (which corresponds to aplane sample wavefront), we measured a magnification of 1.68. With the same parameters,we measure a holographic resolution of about 11 m. The wavefront phasecould be determined with a precision of a fraction of the wavelength.We subsequently performed analysis of the relative contribution of coherent noiseand implemented and evaluated several noise reduction routines. While the impactof coherent noise remained visible in the amplitude image, interferometric precisionwas obtained for the phase of the wavefront and the set-up was considered qualifiedfor its intended use for corneal characterisation.A first test measurement was performed on primate cornea.Subsequent work will address the further quantitative characterisation of the setupfor the full set of parameters (objectives, zoom positions, wavelengths), test measurementson samples with known transmission and light scattering properties (e.g.solutions of PMMA beads) and the comparison of the results with the predictions ofa theoretical model, and measurements on animal and human tissue.