This report presents the work done within the framework of my master thesis in the program Infrastructure Engineering at KTH Royal Institute of Technology, Stockholm. This project has been proposed and sponsored by the French company Setec TPI, part of the Setec group, located in Paris. The overall goal of this study is to investigate fluid-structure interaction and particularly sloshing in liquid-containing structures subjected to seismic or other dynamic action. After a brief introduction, the report is composed of three main chapters. The first one presents and explains fluid-structure interaction equations. Fluid-structure interaction problems obey a general flow equation and several boundary conditions, given some basic assumptions. The purpose of the two following chapters is to solve the corresponding system of equations. The first approach proposes an analytical solution: the problem is solved for 2D rectangular tanks. Different models are considered and compared in order to analyze and describe sloshing phenomenon. Liquid can be decomposed in two parts: the lower part that moves in unison with the structure is modeled as an impulsive added mass; the upper part that sloshes is modeled as a convective added mass. Each of these two added mass creates hydrodynamic pressures and simple formulas are given in order to compute them. The second approach proposes a numerical solution: the goal is to be able to solve the problem for any kind of geometry. The differential problem is resolved using a singularity method and Gauss functions. It is stated as a boundary integral equation and solved by means of the Boundary Element Method. The linear system obtained is then implemented on Matlab. Scripts and results are presented. Matlab programs are run to solve fluid-structure interaction problems in the case of rectangular tanks: the results concur with the analytical solution which justifies the numerical solution. This report gives a good introduction to sloshing phenomenon and gathers several analytical solutions found in the literature. Besides, it provides a Matlab program able to model effects of sloshing in any liquid-containing structures.

This thesis focuses on the theoretical investigation of the electronic structure and magnetic interactions present in 3d and 4d/5d transition metal compounds. We use many-body quantum chemistry methods that provide a theoretical frame for the rigorous construction and systematic improvement of correlated N-electron wave-functions. In Chapter 3 we compute d-d transitions fully ab initio and assign excitation peaks of experimental spectra measured in spin-Peierls TiPO4 compound. In this material we find that the d1 ground state is composed of an admixture of dz2 and dxz orbital character, which is related to the large positive ionic charge at P sites in the xz plane (defining the shortest Ti-P links) and of Ti nearest-neighbors along the z axis. In addition, the magnitude of the nearest-neighbors Heisenberg magnetic coupling calculated by quantum chemistry methods compares well with resonant inelastic X-ray scattering (RIXS) experimental data. We further demonstrate that the intersite exchange is very sensitive to the Ti-Ti interatomic distance, which is relevant in the context of spin-Peierls physics in TiPO4. In Chapter 4 we have studied the magnetic anisotropy of Fe ions within the Li3N lattice. The calculated magnetic anisotropy splitting of 26.3 meV for Fe2+ d6 ions in D6h symmetry compares favorably to values measured or computed by similar theoretical methods for Fe1+ d7 species with linear coordination. This substantial spin-reversal energy barrier of the Fe2+ ion is associated with a a^1_{1g}e^3_{2g}e^2_{1g} ground-state electron configuration. Our study therefore puts into the spotlight the linearly coordinated Fe2+ d6 ion as candidate for viable single molecule magnet behavior. In Chapter 5 we address the effect of electron-lattice interactions on the magnetic properties of 4d and 5d TM ions with a formally degenerate t^1_{2g} electron configuration in the double-perovskite materials Ba2YMoO6, Ba2LiOsO6 and Ba2NaOsO6. Our analysis indicates that the sizable magnetic moments and g-factors found experimentally are due to both strong TM d -- ligand p hybridization and dynamic Jahn-Teller effects. Our results also point out that cation charge imbalance in the double-perovskite structure allows a fine tuning of the gap between the t2g and eg levels. The mechanism has not been explored so far experimentally but seems to hold much potential in the context of orbital engineering in transition metal compounds. In Chapter 6 we report a study of magnetic exchange interactions in the S=3/2 orthorhombic perovskite NaOsO3. We mapped the ab initio quantum chemistry results onto model Hamiltonians including both isotropic Heisenberg interactions and anisotropic Dzyaloshinskii-Moriya exchange. We found antiferromagnetic nearest-neighbors Heisenberg exchange interactions of J_ac = 24.4 meV and J_b = 20.9 meV, twice larger than the J extracted from the magnon excitation spectra. The quantum chemistry results motivate further experimental measurements or theoretical analysis to clarify the magnitude of the nearest-neighbors Heisenberg couplings. In Chapter 7 we provide valuable insights on the effective magnetic interactions in 5d and 4d oxides with face-sharing oxygen octahedra, BaIrO3 and BaRhO3, for different bond-angles and bond-lengths. The large antiferromagnetic Heisenberg interactions computed here emphasize the subtle interplay among strong spin-orbit interactions, direct intersite orbital overlap and orbital bonding, and couplings to the lattice degrees of freedom in face-sharing compounds. In Chapter 8 we apply a computational scheme for computing intensities as measured in X-ray absorption and RIXS experiments. We take into account the readjustment of the charge distribution in the vicinity of an excited electron for the modeling of RIXS. For L3-edge spectra of Cu2+ 3d9 ions in KCuF3, we discuss the way to consider orbital ordering effects (alternately occupied d_x2-z2 and d_y2-z2 orbitals). For L3-edge spectra of Ni2+ 3d8 ions in La2NiO4, the computed spectra reproduce trends found experimentally for the incoming-photon incident-angle and polarization dependence.

The properties of RNiSb compounds were studied from various points of view: Magnetism, transport, electronic structure. The compounds with a light rare earth are metallic, while the cubic phases with a heavy rare earth element have the semi-Heusler structure and are narrow gap semiconductors. A giant magnetoresistance effect was found at low temperatures, the larger as the density of charge carriers is weak. It was explained by the polarisation of the impurity levels situated within the band gap of the semiconductor under the field of the magnetic moment of the 4f shell. The crystal field, as well as the magnetic order at low temperatures, were studied by neutron scattering and diffraction. Particular magnetic properties (absence of magnetic order in the Pr compound, antiferromagnetic structure in the second group, orientation of the moments) have been explained, at least qualitatively. CeNiSb is a Kondo-type compound with a Kondo temperature of about 8 K. Photoemission measurements have allowed to analyse the electronic structure in the valence band of these compounds, in agreement with band structure calculations. By resonant photoemission of TbNiSb and GdCu, different resonance channels have been resolved, which depend on the spin configuration of the excited states.

Práce pojednává o vlastnostech plazmonických antén v infračervené a viditelné oblasti. Práce zahrnuje výrobu, měření a numerické modelování optických vlastností antén. Infračervené plazmonické antény na absorbujícím substrátu (SRON) jsou studovány pro jejich rezonanční a absorpční vlastnosti. Byla nalezena geometrie antény, která poskytuje maximální účinnost absorpce ve SRON vrstvě. Dále je studována možnost zesílení daného vibračního módu substrátu (obsahujícího 3-4 materiálové rezonance) pomocí plazmonické rezonance antény. Nakonec jsou prezentována měření katodoluminiscenčních spekter antén ve viditelném spektru.

京都大学 / 0048 / 新制・課程博士 / 博士(理学) / 甲第18067号 / 理博第3945号 / 新制||理||1568(附属図書館) / 30925 / 京都大学大学院理学研究科物理学・宇宙物理学専攻 / (主査)教授 瀬戸 誠, 教授 鶴 剛, 教授 大久保 嘉高 / 学位規則第4条第1項該当 / Doctor of Science / Kyoto University / DGAM

京都大学 / 0048 / 新制・課程博士 / 博士(理学) / 甲第18780号 / 理博第4038号 / 新制||理||1581(附属図書館) / 31731 / 京都大学大学院理学研究科物理学・宇宙物理学専攻 / (主査)准教授 戸塚 圭介, 教授 川上 則雄, 教授 佐々 真一 / 学位規則第4条第1項該当 / Doctor of Science / Kyoto University / DFAM

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In this thesis I have theoretically studied electron recombination processes with small molecular ions. In these kind of processes resonant states are involved. To calculate the potential energy for these states as a function of internuclear distance, structure calculations and scattering calculations have to be performed. So far I have been studying the ion-pair formation with in electron recombination with H3+. The cross section for this process has been calculated using different kind of models, both a time dependent quantum mechanical and a semiclassical. I have also studied the direct process of dissociative recombination of HF+. To calculate the total cross section for this process, we have performed wave packet propagation on thirty resonant states and summed up the individual cross sections for these states. The cross sections for both these processes have a similar appearance to those measured experimentally in the ion storage ring CRYRING in Stockholm. / QC 20101103

Recent resonant inelastic x-ray scattering (RIXS) experiments have detected a significant high-energy spin-excitation anisotropy in the nematic phase of the enigmatic iron-based superconductor FeSe, whose origin remains controversial. We apply an itinerant model previously used to describe the spin-excitation anisotropy as measured by neutron scattering measurements, with magnetic fluctuations included within the RPA approximation. The calculated RIXS cross section exhibits overall agreement with the RIXS data, including the high energy spin-excitation anisotropy

The main focus of this dissertation is to characterize and improve the performance of thin-film piezoelectric-on-substrate (TPoS) lateral-mode resonators and filters. TPoS is a class of piezoelectric MEMS devices which benefits from the high coupling coefficient of the piezoelectric transduction mechanism while taking advantage of superior acoustic properties of a substrate. The use of lateral-mode TPoS designs allows for fabrication of dispersed-frequency filters on a single substrate, thus significantly reducing the size and manufacturing cost of devices. TPoS filters also offer a lower temperature coefficient of frequency, and better power handling capability compared to rival technologies all in a very small footprint. Design and fabrication process of the TPoS devices is discussed. Both silicon and diamond substrates are utilized for fabrication of TPoS devices and results are compared. Specifically, the superior acoustic properties of nanocrystalline diamond in scaling the frequency and energy density of the resonators is highlighted in comparison with silicon. The performance of TPoS devices in a variety of applications is reported. These applications include lateral-mode TPoS filters with record low IL values (as low as 2dB) and fractional bandwidth up to 1%, impedance transformers, very low phase noise oscillators, and passive wireless temperature sensors.