Processos de fragmentação são ferramentas fundamentais no estudo de íons por espectrometria de massas, pois permitem a obtenção de informação sobre a estrutura e termoquímica destes íons . Desenvolvemos uma técnica de dissociação de íons baseada na ativação destes através da absorção multifotônica sequencial de radiação infravermelha de um filamento incandescente. Nesta técnica, íons aprisionados na cela de um espectrômetro de massas por transformada de Fourier são submetidos a radiação do filamento por intervalos de tempo relativamente longos (da ordem de segundos), e passam por um processo de multíplos eventos de absorção e emissão de radiação, até a energia interna dos íons atingir um nível suficiente para a fragmentação. A partir deste modelo para o processo foram implementados métodos computacionais que permitem a simulação da dissociação. A realização destas simulações exige o conhecimento do espectro vibracional do íon, que normalmente tem que ser obtido por algum método teórico de cálculo, como foi feito neste trabalho paro o caso de alguns dos íons estudados. O método de dissociação unimolecular induzida por absorção de radiação infravermelha foi aplicado na determinação das energias de ativação e de dissociação dos íons moleculares de acetofenona, p-cimeno e cumeno. Este método também mostrou-se capaz de diferenciar diferentes estruturas isomericas, e foi com esta finalidade aplicado no estudo da isomerização ceto-enol do íon molecular de acetofenona. Demonstrou-se também a capacidade do método dissociar os íons moleculares de n-butilbenzeno e brometo de alila. / Fragmentation processes are fundamental tools for the mass spectrometric study of ions because they provide information on structure and termochemistry of these ions. We have developed a dissociation technique that is based on the multiphoton activation of trapped ions by infrared radiation emitted by an incandescent filament. In this technique, ions trapped in the cell of a Fourier Transform mass spectrometer are exposed to the filament radiation for long time periods (seconds), and a process of multiple absorption and emition events occurs, until the internal energy of the ions is high enough for fragmentation. Computational methods have been implemented from this model allowing for simulation of the dissociation process. For this simulation the ion vibrational spectra, that normally must be obtained from theoretical calculations, is also required, as has been done in this work for some of the studied ions. The method of unimolecular dissociation induced by infrared radiation was applied to the determination of activation and dissociation energies of the molecular ions of acetophenone, p-cymene and cumene. This method also proved to be capable in the differentiation of isomeric structures, and was so applied in the study for the keto-enol isomerization of the acetophenone molecular ion. It was also shown that the method can dissociate the molecular ions of n-butylbenzene an allyl bromide.

One of the key issues of our society is to decrease energy demand. About 40 % of energy consumption in Europe is related to building operation, mostly for heating. The required thermal comfort is related mainly to temperature of air and temperature of surrounding surfaces. Especially in older buildings with low level of thermal insulation the inner surface of perimeter wall can be several degrees colder than air. In such case the perception of thermal comfort will be lowered also depending on the layout of the room. Other issue can be related to thermal radiation asymmetry. The amount of energy that is eradiated from a surface is driven by material property called emissivity. A surface with sufficiently low emissivity will became “thermal mirror”. It is possible to elaborate about intelligent thermal management of the internal space with usage of low-emissive surfaces; where thermal radiation can be suppressed or can be enhanced. This depends on the surface emissivity and its real temperature. Recently, growing interest about the low-emissive surfaces can be seen. They can represent reasonable complement to conventional insulation, but they have certain limits. Potentially, even higher energy savings can be reached with so called retro reflection. If the thermal radiation of an object is reflected back, its thermal loss will be lower. In such case it can be expected that equivalent thermal comfort can be reached even with lower overall temperature of the room. The aim of the work is study of material combinations with potential for utilization as low-emissive interior surfaces. Research has been conducted on low-emissive paints and low-emissive foils. Another part of the work is related to retro reflection of thermal radiation as a potential way to influence thermal comfort. The work shows, that energy saving up to 20% can be obtained.

No description available.

<p>Among computational electromagnetic methods, Integral Equation (IE) solvers have a great capability in solving open-region problems such as scattering and radiation, due to no truncation boundary condition required. Volume Integral Equation (VIE) solvers are especially capable of handling arbitrarily shaped geometries and inhomogeneous materials. However, the numerical system resulting from a VIE analysis is a dense system, having $N^2$ nonzero elements for a problem of $ N $ unknowns. The dense numerical system in conjunction with the large number of unknowns resulting from a volume discretization prevents a practical use of the VIE for solving large-scale problems.</p> <p>In this work, two fast algorithms of $ O(N \log N) $ complexity to generate an rank-minimized $ H^2 $-representation for electrically large VIEs are developed. The algorithms systematically compress the off-diagonal admissible blocks of full VIE matrix into low-rank forms of total storage of $O(N)$. Both algorithms are based on nested cross approximation, which are purely algebraic. The first one is a two-stage algorithm. The second one is optimized to only use one-stage, and has a significant speedup. Numerical experiments on electrically large examples with over 33 million unknowns demonstrate the efficiency and accuracy of the proposed algorithms. </p> <p>Important applications of VIEs in thermal and quantum engineering have also been explored in this work. Creating spin(circularly)-polarized infrared thermal radiation source without an external magnetic field is important in science and engineering. Here we study two materials, magnetic Weyl semimetals and manganese-bismuth(MnBi), which both have permittivity tensors of large gyrotropy, and can emit circularly-polarized thermal radiations without an external magnetic field. We also design symmetry-broken metasurfaces, which show strong circularly-polarized radiations in simulations and experiments. In spin qubit quantum computing systems, metallic gates and antennas are necessary for quantum gate operations. But their existence greatly enhances evanescent wave Johnson noise (EWJN), which induces the decay of spin qubits and limits the quantum gate operation fidelity. Here we first use VIE to accurately simulate realistic quantum gate designs and quantify the influence on gate fidelity due to this noise.</p>

Die vorliegende Arbeit beschreibt einen semi-analytischen Ansatz zur Modellierung der Dichteverteilung von DM im Galaktischen Halo. Aus den verschiedenen Substrukturmodellen wird die γ-Strahlungsintensität, welche die Erde erreicht, berechnet. Eine Spannbreite plausibler γ-Strahlungsintensitäten aufgrund der Paarvernichtung Galaktischer DM wird vorgeschlagen, welche die Vorhersagen verschiedener früherer Studien umfasst, und es werden die durchschnittlichen Massen, Abstände und ausgedehnten Strahlungsprofile der γ-strahlungsintensivsten DM-Verdichtungen berechnet. Schließlich werden die DM-Modelle für eine umfassende Berechnung der Nachweismöglichkeit Galaktischer Substrukturen mit CTA verwendet. Die instrumentelle Sensitivität zum Nachweis der γ-strahlungsintensivsten DM-Substruktur wird für eine mit CTA geplanten großflächigen Himmelsdurchmusterung außerhalb der Galaktischen Ebene berechnet. Die Berechnung wird mit CTA Analyse- Software und einer Methode durchgeführt, welche auf einer Likelihood beruht. Eine alternative, ebenfalls Likelihood-basierte Analysemethode wird entwickelt, mit welcher DM-Substrukturen als äumliche Anisotropien im Multipolspektrum des Datensatzes einer Himmelsdurchmusterung nachgewiesen werden können. Die Analysen ergeben, dass eine Himmelsdurchmusterung mit CTA und eine anschließende Suche nach γ-Strahlung von DM-Substrukturen Wirkungsquerschnitte für eine Paarvernichtung in der Größenordnung von (σv) > 1 × 10−24 cm3 s−1 für eine DM-Teilchenmasse von mχ ∼ 500 GeV auf einem Vertrauensniveau von 95% ausschließen kann. Diese Sensitivität ist vergleichbar mit Langzeitbeobachtungen einzelner Zwerggalaxien mit CTA. Eine modellunabhängige Analyse ergibt, dass eine Himmelsdurchmusterung mit CTA Anisotropien im diffusen γ-Strahlungshintergrund oberhalb von 100 GeV für relative Schwankungen von CPF > 10−2 nachweisen kann. / In the current understanding of structure formation in the Universe, the Milky Way is embedded in a clumpy halo of dark matter (DM). Regions of high DM density are expected to emit enhanced γ-radiation from the DM relic annihilation. This γ-radiation can possibly be detected by γ-ray observatories on Earth, like the forthcoming Cherenkov Telescope Array (CTA). This dissertation presents a semi-analytical density modeling of the subclustered Milky Way DM halo, and the γ-ray intensity at Earth from DM annihilation in Galactic subclumps is calculated for various substructure models. It is shown that the modeling approach is able to reproduce the γ-ray intensities obtained from extensive dynamical DM simulations, and that it is consistent with the DM properties derived from optical observations of dwarf spheroidal galaxies. A systematic confidence margin of plausible γ-ray intensities from Galactic DM annihilation is estimated, encompassing a variety of previous findings. The average distances, masses, and extended emission profiles of the γ-ray-brightest DM clumps are calculated. The DM substructure models are then used to draw reliable predictions for detecting Galactic DM density clumps with CTA, using the most recent benchmark calculations for the performance of the instrument. A Likelihood-based calculation with CTA analysis software is applied to find the instrumental sensitivity to detect the γ-ray-brightest DM clump in the projected CTA extragalactic survey. An alternative Likelihood-based analysis method is developed, to detect DM substructures as anisotropies in the angular power spectrum of the extragalactic survey data. The analyses predict that the CTA extragalactic survey will be able to probe annihilation cross sections of ⟨σv⟩ > 1 × 10−24 cm3 s−1 at the 95% confidence level for a DM particle mass of mχ ∼ 500 GeV from DM annihilation in substructures. This sensitivity is compatible with long-term observations of single dwarf spheroidal galaxies with CTA. Independent of a particular source model, it is found that the CTA extragalactic survey will be able to detect anisotropies in the diffuse γ-ray background above 100 GeV at a relative amplitude of CP_F > 10−2.

Recently, remarkable advances have been made in the understanding of micro/nanoscale energy transport, opening new opportunities in various areas such as thermal management, data storage, and energy conversion. This dissertation focuses on thermally-sensed nanotopography using a heated silicon microcantilever and near-field thermophotovoltaic (TPV) energy conversion system. A heated microcantilever is a functionalized atomic force microscope (AFM) cantilever that has a small resistive heater integrated at the free end. Besides its capability of increasing the heater temperature over 1,000 K, the resistance of a heated cantilever is a very sensitive function of temperature, suggesting that the heated cantilever can be used as a highly sensitive thermal metrology tool. The first part of the dissertation discusses the thermal characterization of the heated microcantilever for its usage as a thermal sensor in various conditions. Particularly, the use of heated cantilevers for tapping-mode topography imaging will be presented, along with the recent experimental results on the thermal interaction between the cantilever and substrate. In the second part of the dissertation, the so-called near-field TPV device is introduced. This new type of energy conversion system utilizes the significant enhancement of radiative energy transport due to photon tunneling and surface polaritons. Investigation of surface and bulk polaritons in a multilayered structure reveals that radiative properties are significantly affected by polariton excitations. The dissertation then addresses the rigorous performance analysis of the near-field TPV system and a novel design of a near-field TPV device.

Gamma-ray binaries are systems that comprise a young, massive star and a compact object that can be either a young pulsar or a black hole. They emit radiation from radio up to tens of TeV and show flux variability along the whole electromagnetic spectrum. For three of the four detected gamma-ray binaries, the nature of the compact object is unknown. In this thesis we present a study of gamma-ray binaries through three approaches that involve the simultaneous study of these sources in X-rays and very high energy (VHE) gamma-rays. We present the discovery of correlated X-ray and VHE gamma-ray emission from LS I +61 303. The correlations indicates that the emission from these two bands could be originated in the same parent particle population, and we explore this idea through the calculation of a radiative model. This model allows us to significantly constrain the physical properties of the non-thermal emitter in LS I +61 303. For those systems where the compact object is a young pulsar, the interaction between the stellar and pulsar winds will give rise to strong shocks. The shocked pulsar wind is the candidate location for non-thermal emission from these systems. The shocked stellar wind should give rise to a thermal X-ray spectrum, but no such features have been detected in the X-ray spectrum of gamma-ray binaries. We present a model of the thermal emission of the shocked stellar wind and use it to constrain the pulsar properties. We have applied this method to two X-ray observations of LS 5039 and have successfully constrained the pulsar spin-down luminosity. Finally, we present a search for VHE emission from Scorpius X-1 through a simultaneous X-ray and VHE gamma-ray campaign. The X-ray observations allowed us to select black-hole states where non-thermal X-ray emission has been detected. We did not find significant VHE emission in any of the black hole states, but the upper limits derived will prove useful in future modelling of the non-thermal emitter in the source. / Les binàries de raigs gamma són sistemes binaries formats per una estrella jove i massiva i un objecte compacte, que pot ser un púlsar jove o un forat negre, que emeten radiació fins a desenes de TeV i mostren variabilitat orbital en totes les bandes d'emissió, des de radio fins a raigs gamma. En el cas de tres de les quatre binàries de raigs gamma detectades avui dia, se'n desconeix la natura de l'objecte compacte. En aquesta tesi presentem un estudi de les binàries de raigs gamma mitjançant tres treballs complementaris que involucren l'estudi simultani d'aquestes fonts en raigs X i raigs gamma de molt alta energia. En primer lloc presentem el descobriment d'emissió en raigs X i raigs gamma de molt alta energia correlades en el temps al sistema LS I +61 303. Aquesta correlació ens indica que l'emissió en les dues bandes pot provenir d'una única població d'electrons, i ho confirmem mitjançant la realització d'un model teòric de radiació que ens permet restringir significativament les propietats físiques de l'emissor no tèrmic de la font. En cas que la font energètica dels sistemes sigui un púlsar, la interacció entre els vents de l'estrella i el púlsar dona lloc a una regió d'interacció on el vent xocat del púlsar accelera partícules i emet des de radio fins a raigs gamma. A l'espectre de raigs X, però, no es detecta l'emissió tèrmica del vent xocat de l'estrella, que s'escalfa fins a desenes de milers de graus. Això ens ha permès estudiar la forma de la regió d'interacció, determinada principalment per la potència del púlsar, i fer un càlcul teòric de l'emissió en raigs X tèrmics. Hem aplicat aquest model al sistema LS 5039 i hem pogut determinar la potència del púlsar, fet important per a la modelització de l'emissió no tèrmica de la font. Finalment, presentem la cerca d'emissió de raigs gamma provinent de sistemes binaris fins ara no detectats. Una campanya simultània en raigs X i raigs gamma ens va permetre seleccionar les dades de molt alta energia del microquàsar Sco X-1 en funció de l'estat d'acreció sobre l'objecte compacte. Tot i no detectar la font en raigs gamma, els límits superiors obtinguts permeten restringir les propietats físiques de Sco X-1 rellevants per a l'emissió en molt alta energia.

Cette thèse s'inscrit dans le cadre de la recherche sur la fusion nucléaire par confinement inertiel, et vise notamment à contribuer à la validation du schéma d'allumage rapide. Elle consiste en une étude expérimentale des différents processus impliqués dans la propagation d'un faisceau d'électrons relativistes, produit par une impulsion laser ultra-intense (10^{19} W.cm-2), au sein de la matière dense qu'elle soit solide ou comprimée. Dans ce travail de recherche nous présentons les résultats de trois expériences réalisées sur des installations laser distinctes afin de générer des faisceaux d'électrons dans diverses conditions et d'étudier leur propagation dans différents états de la matière, du solide froid au plasma dense et tiède.La première expérience a été réalisée à très haut contraste temporel sur l'installation laser UHI100 du CEA de Saclay. L'étude du dépôt d'énergie par le faisceau d'électrons dans l'aluminium solide a mis en évidence un important chauffage à faible profondeur, où les effets collectifs sont prédominants, générant ainsi un gradient important de température entre les faces avant (300eV) et arrière (20eV) sur 20µm d'épaisseur. Une modélisation numérique de l'expérience montre que ce gradient induit la formation d'une onde de choc débouchant en face arrière, donnant alors lieu à une augmentation de l'émission thermique. La chronométrie expérimentale du débouché du choc permet de valider le modèle de transport collectif des électrons.Deux autres expériences ont porté sur l'étude de la propagation de faisceaux d'électrons rapides au sein de cibles comprimées. Lors de la première expérience sur LULI2000 (LULI), la géométrie de compression plane a permis de dissocier de manière précise les pertes d'énergie liées aux effets résistifs de celles liées aux effets collisionnels. En comparant nos résultats expérimentaux à des simulations, nous avons mis en évidence l'augmentation significative des pertes d'énergie du faisceau d'électrons avec la compression et le chauffage de la cible à des température proches de la température de Fermi, et ce, pour les deux mécanismes. La seconde expérience, réalisée en géométrie cylindrique sur Vulcan (RAL), a permis de mettre en évidence un phénomène de guidage du faisceau d'électrons rapides sous l'effet d'un intense champ magnétique, auto-généré en présence d'importants gradients radiaux de résistivité. Par ailleurs, dans les conditions de température et de densité atteintes, l'augmentation des pertes d'énergie collisionnelles avec la densité s'avère être compensée par une diminution des pertes résistives du fait du passage de la conductivité du milieu dans le régime des hautes températures de Spitzer. / The framework of this PhD thesis is the validation of the fast ignition scheme for the nuclear fusion by inertial confinement. It consists in the experimental study of the various processes involved in fast electron beams propagation, produced by intense laser pulses (10^{19} W.cm-2), through dense matter either solid or compressed. In this work we present the results of three experiments carried out on different laser facilities in order to generate fast electron beams in various conditions and study their propagation in different states of matter, from the cold solid to the warm and dense plasma.The first experiment was performed with a high intensity contrast on the UHI100 laser facility (CEA Saclay). The study of fast electron energy deposition inside thin aluminium targets highlights a strong target heating at shallow depths, where the collectivs effects are predominant, thus producing a steep temperature profile between front (300eV) and rear (20eV) sides over 20µm thickness. A numerical simulation of the experiment shows that this temperature gradient induces the formation of a shock wave, breaking through the rear side of the target and thus leading to increase the thermal emission. The experimental chronometry of the shock breakthrough allowed validating the model of the collective transport of electrons.Two other experiments were dedicated to the study of fast electron beam propagation inside compressed targets. In the first experiment on the LULI2000 laser facility, the plane compression geometry allowed to precisely dissociate the energy losses due to resistive effects from those due to the collisional ones. By comparing our experimental results with simulations, we observed a significative increase of the fast electron beam energy losses with the compression and the target heating to temperatures close to the Fermi temperature. The second experiment, performed in a cylindrical geometry, demonstrated a fast electron beam guiding phenomenon due to self-generated magnetic fields in presence of sharp radial resistivity gradients. Furthermore, in the temperature and density conditions achieved here, the increase of collisional energy losses with density is compensated by the decreasing resistive energy losses due to the transition of the conductivity into the high-temperatures Spitzer regime.

Diplomová práce se zabývá možnosti kalibrace experimentálního testovacího zařízení. Zejména se věnuje návrhu termálního matematického modelu popisujícího tepelné procesy uvnitř zařízení v průběhu měření tepelné vodivosti vzorku. První část práce je věnována seznámení se s testovacím zařízením, jeho limity a principem měření. Popisuje řešení třetí verze testovací komory, společně s nezbytnými úpravami, provedenými za účelem zajištění předepsaných simulačních podmínek. Zmiňuje také potřebu a důvody kalibrace. Druhá část je především zaměřená na návrh kalibračních vzorků a termálního modelu. Uvádí definované požadavky a konečné vlastnosti vyrobených vzorků. Matematický model prezentuje postup výpočtu zjištěných tepelných ztrát a poukazuje na možnosti jejich zpřesnění. Testování kalibračních vzorků bylo provedeno na nově zprovozněné třetí verzi testovací komory. Naměřené výsledky poslouží k ladění termálního modelu, nezbytného k dokončení kalibračního procesu, který umožní přikročení k další fázi testování v experimentální komoře.