Rotational polarisation effects have been investigated in the rotationally inelastic collisions of NO(X) and Ar by means of theoretical and experimental methods. Rotational polarisation describes the correlation between the <strong>k</strong>–<strong>k'</strong>–<strong>j'</strong> vectors, that is the initial and final relative velocities of the colliding partners and the final rotational angular momentum of the diatom, respectively. The simplest types of polarisation are the rotational orientation, or preferred sense of rotation, and the rotational alignment, or preferred plane of rotation. They are quantised by the renormalised polarisation dependent differential cross sections (PDDCSs) In this thesis the theoretical methods included exact quantum mechanical, quasi- classical trajectory and Monte Carlo classical hard shell calculations. Various features of the interaction potential influence differently the polarisation dynamics. The effects of attraction and soft repulsion were elucidated employing a number of differently modified potentials. The rotational alignment is primarily determined by a classical impulsive, or hard shell mechanism at a collision energy of 66 meV. The attractive and soft repulsive forces only perturb this underlying mechanism. On the other hand, the parity dependent oscillations of the open shell alignment moments are due to differences between the quantum mechanical differential cross sections. It has been shown the bigger the well depth compared to the collision energy, the less applicable becomes the classical hard shell model to describe rotational alignment. The quantum mechanical rotational alignment in the collisions of hard shells was also calculated. The classical and quantum mechanical hard shell models predict different rotational alignment. Nevertheless, the classical alignment is a good approximation to the exact quantum mechanical results. The rotational orientation is much more sensitive to the details of the interaction potential. It does not exist in the classical description of hard shell collisions, if the system exhibits certain symmetry properties. The attraction and finite range repulsion break this symmetry and leads to the molecule having a preferred sense of rotation. In general there is non-vanishing rotational orientation in the collisions of a hard shell in the framework of quantum mechanics. This is due to the finite spatial and temporal interaction of the colliding partners. Quantum mechanical interference effects also play an important role in this phenomenon. The rotational alignment was experimentally determined in the collisions of NO(X) and Ar at collision energy of 66meV with a hexapole state selective ion-imaging apparatus. An algorithm was developed based on the Fourier moment analysis to extract rotational polarisation information from the experimental ion images. It is fast and robust and can also be of used to simulate experimental images. This algorithm was used to retrieve the experimental renormalised PDDCSs ion images. The measurements confirmed that a classical, impulsive dynamics is mainly responsible for the rotational alignment in these collisions.

Dans cette thèse, notre étude porte sur les défauts topologiques en cosmologie et en physique de la matière condensée. Nous proposons d’étudier l’analogie entre les défauts qui apparaissent dans ces domaines. Par exemple, nous discutons l’analogie entre les cordes cosmiques et les disinclinaisons présentes dans les cristaux liquides. Cependant, nous concentrons nos efforts sur l’étude de la gravité et des aspects géométriques des défauts linéaires; cordes cosmiques «ondulées» et les disinclinaisons hyperboliques. Le champ gravitationnel des cordes ondulées est analogue à celui des cordes régulières mais avec un potentiel newtonien non nul. Pour cette raison, outre le fait que l’espace-temps a une géométrie conique, les cordes produisent également une traction gravitationnelle sur les objets situés dans leur voisinage. Ceci a pour conséquence: l’apparition de nouveaux effets en plus de la lentille gravitationnelle. En réalité, nous constatons que les champs massiques et non-massiques sont confinés au voisinage de la corde quand nous examinons la propagation non perpendiculaire à son axe. Cette affirmation est basée sur l’analyse des trajectoires et l’application du formalisme ondulatoire. Enfin, nous proposons la conception d’un guide d’onde optique ayant l’indice de réfraction spécifique permettant de simuler l’effet des cordes ondulées en laboratoire. Bien que la disinclinaison hyperbolique soit très similaire à la disinclinaison ordinaire, le milieu résultant est un métamatériau anisotrope dans lequel le rapport entre les permittivités ordinaire et extraordinaire est négatif. En fait, notre analyse concernant la disinclinaison hyperbolique étant très proche de la précédente pour la corde ondulée, nous appliquons alors le formalisme ondulatoire avec des traitements d’optique géométrique pour comprendre la propagation de la lumière. Nous trouvons que pour un agencement spécifique du champ directeur du cristal liquide hyperbolique, la lumière est confinée et dirigée vers l’axe du métamatériau. Plus précisément, on obtient un dispositif optique qui concentre les rayons de lumière, quelles que soient les conditions d’injection / In this thesis, we study topological defects in cosmology and condensed matter physics. We propose to investigate the analogy between defects that appear in these two realms with respect to aspects of formation and gravity. For instance, we discuss the analogy between cosmic strings and disclinations existing in liquid crystals. In particular, we concentrate our efforts on the study of gravity/geometric aspects of two linear defects: wiggly cosmic string and hyperbolic disclination. The gravitational field of wiggly strings is analogous to the one of regular strings, but with a non-vanishing Newtonian potential. For that reason, besides the spacetime has conical geometry, the string also produces gravitational pullings on objects located in its vicinity. This new fact leads to new effects in addition to the already expected gravitational lensing. In fact, we find that both massive and massless fields are confined to the string when we examine non-perpendicular propagation to the string axis. This statement is based on the analysis of trajectories and by applying the wave formalism. Finally, we propose the design of an optical waveguide having the specific refractive index likely to simulate the effects of wiggly strings in the laboratory. Even though the hyperbolic disclination is very similar to the ordinary one, the resulting medium is an anisotropic metamaterial, in which the ratio between ordinary and extraordinary permittivities is negative. In fact, as our analysis concerning the hyperbolic medium is very close to the previous one for the wiggly string, we also apply the wave formalism together with geometrical optics treatment to understand how light propagates. Interestingly, we find that for one specific director field arrangement of the hyperbolic liquid crystal metamaterial, light is confined and directed to the metamaterial axis. More specifically, we come into possession of an optical device that concentrates light rays, no matter how they are injected in it

Η παρούσα διπλωματική εργασία έχει ως θέμα τις μεθόδους εκτίμησης της έκθεσης του ανθρώπου σε ηλεκτρικά, μαγνητικά και ηλεκτρομαγνητικά πεδία. Ειδικότερα, με σκοπό την εκτίμηση της έκθεσης σε χαμηλόσυχνα ηλεκτρομαγνητικά πεδία επιλέχθηκε ο χώρος των γυμναστηρίων όπου διεξήχθησαν μετρήσεις μαγνητικής επαγωγής κατά τη χρήση ηλεκτρικών οργάνων άθλησης. Στο πρώτο μέρος της παρούσας εργασίας παρουσιάζονται τα ηλεκτρομαγνητικά πεδία και οι αιτίες δημιουργίας τους. Γίνεται αναφορά στις επιπτώσεις της ηλεκτρομαγνητικής ακτινοβολίας στον ανθρώπινο οργανισμό και παρουσιάζονται οι προδιαγραφές των οργάνων μέτρησης και οι τεχνικές των μετρήσεων που απαιτούνται, προκειμένου να αξιολογηθεί η έκθεση του ανθρώπου. Στο δεύτερο μέρος περιγράφεται η διαδικασία λήψης των μετρήσεων και παρουσιάζονται τα αποτελέσματα σε σύγκριση με τα επίπεδα αναφοράς για την ασφαλή έκθεση του κοινού σε ηλεκτρομαγνητικά πεδία. / The subject of this thesis is the assessment methods of human exposure to electric, magnetic and electromagnetic fields. In particular, in order to estimate the exposure to low frequency electromagnetic fields, magnetic induction measurements were made during the use of cardiovascular equipment at gyms. In the first part of this paper the electromagnetic fields and their sources are being presented. There is also reference to the impact of electromagnetic radiation on the human body and to the specifications of instrumentation and measurement techniques that are required to assess human exposure. The second part describes the measurement process and presents the results compared to the reference levels for safe exposure to electromagnetic fields.

This thesis describes the development of a new experimental technique for studying tunable-collision-energy, quantum state-selected, low-temperature ion-molecule reactions. This has been achieved through the combination of a Stark decelerator for neutral dipolar molecules, and a linear Paul ion trap. The Stark deceleration process for ND₃ was examined in detail, through the analysis of experimental data in combination with newly written molecular dynamics simulation programs. In order to prepare a sample of molecules appropriate for collision studies, additional beamline components were introduced after the decelerator. These components were: two hexapoles, to provide transverse focussing, maximising the molecular density; a molecular buncher, providing increased longitudinal velocity resolution; and a fast-opening shutter, to separate decelerated molecules from undecelerated molecules. The sympathetic-cooling of Xe⁺ ions and ND⁺₃ ions by laser-cooled, Coulomb crystallised ⁴⁰Ca⁺ ions with the ion trap was also studied. In particular, the stable trapping of Xe⁺ was demonstrated for the first time, and the experimental developments that led to this are discussed. The work in this thesis represents significant progress towards studying the reaction of tunable-energy ND₃ in the |j,mk> = |1,−1> quantum state with cold Xe⁺ ions. Ion-molecule reactions utilising ND₃ molecules electrostatically guided through the Stark decelerator were performed. It was observed that the main source of error in these experiments was in the calculation of the initial number of Xe⁺ ions that had been sympathetically cooled into the Coulomb crystal. The sensitivity of the crystal morphology to the number of Xe⁺ ions was evaluated using molecular dynamics simulations. Strategies have been developed to reduce this uncertainty in future studies. In addition to experimental work, the theory of low temperature ion-molecule reactions has been developed further. The temperature at which classical and quantum mechanical calculations diverge due to purely statistical effects has been investigated using different model intermolecular potentials, for closed-shell and open-shell species, and in the ground and rotationally excited states. From the results of these calculations, several promising candidate reactions have been suggested that might exhibit statistical quantum behaviour at experimentally achievable temperatures.

La plupart des objets quantiques individuels développés jusqu’à aujourd’hui ne permettent pas de satisfaire toutes les conditions nécessaires pour la construction d’un simulateur quantique. Une possibilité pour obtenir un système quantique robuste est de combiner plusieurs de ces approches. Dans cette thèse, nous décrivons les résultats obtenus sur deux systèmes expérimentaux développés dans ce but.La première partie de cette thèse décrit un système hybride d’atomes neutres couplés à des qubits supraconducteurs, en construction à l’Université du Maryland. La solution envisagée pour placer un ensemble d’atomes froids à proximité de la surface supraconductrice est de piéger les atomes dans le champ évanescent se propageant autour d’une fibre optique nanométrique. Nous avons développé un dispositif permettant la production de fibres optiques nanométriques de transmission optique supérieure à 99.95% dans le mode fondamental. Nous avons également optimisé la transmission de quelques modes d’ordres supérieurs, ce qui pourra s’avérer utile pour le piégeage d’atomes.La seconde partie de cette thèse décrit un système développé à l’Institut d’Optique et comprenant des atomes neutres piégés dans des matrices de pinces optiques. Dans ce cas, nous excitons les atomes dans des états de Rydberg afin de bénéficier de fortes interactions interatomiques. Nous avons caractérisé les interactions de van der Waals et les interactions résonantes entre deux atomes individuels, et démontré le caractère cohérent de l’interaction dipolaire. Nous avons enfin simulé la dynamique d’une chaine élémentaire de spins dans une matrice de trois atomes / Most platforms that are being developed to build quantum simulators do not satisfy simultaneously all the requirements necessary to implement useful quantum tasks. Robust systems can be constructed by combining the strengths of multiple approaches while hopefully compensating for their weaknesses. This thesis reports on the progress made on two different setups that are being developed toward this goal.The first part of this thesis focuses on a hybrid system of neutral atoms coupled to superconducting qubits that is under construction at the University of Maryland. Sub-wavelength diameter optical fibers allow confining an ensemble of cold atoms in the evanescent field surrounding the fiber, which makes them ideal for placing atoms near a superconducting surface. We have developed a tapered fiber fabrication apparatus, and measured an optical transmission in excess of 99.95% for the fundamental mode. We have also optimized tapered fibers that can support higher-order optical modes with high transmission, which may be useful for various optical potential geometries.The second part of this thesis focuses on a system of neutral atoms trapped in arrays of optical tweezers that has been developed at the Institut d’Optique. Placing the atoms in highly excited Rydberg states allows us to obtain strong interatomic interactions. Using two individual atoms, we have characterized the pairwise interactions in the van der Waals and resonant dipole-dipole interaction regimes, providing a direct observation of the coherent nature of the interaction. In a three-atom system, we have finally simulated the dynamics of an elementary spin chain

La compréhension et le contrôle des interactions intermoléculaires est d'une importance fondamentale dans les domaines de la reconnaissance moléculaire et de l'ingénierie cristalline, ainsi que dans les systèmes biologiques. Parmi les contacts faibles les plus fréquents qui lient les molécules dans les solides organiques nous trouvons la liaison halogène, la liaison chalcogène, et la liaison hydrogène faible. Dans cette thèse, des études expérimentales et théoriques de densité de charge rhô(r) basées sur la méthodologie QTAIM ont été effectuées pour l'analyse des liaisons halogènes et chalcogènes, et pour leur comparaison avec les liaisons hydrogène faibles. Pour ce faire, nous avons réalisé l'affinement multipolaire de la densité électronique obtenue à partir de la diffraction des rayons-X sur monocristal, ainsi qu'à partir des calculs périodiques DFT. A l'issue de nos résultats, nous avons définie la nature de ces interactions faibles (électrophile-nucléophile) et caractérisé leur intensité et directionnalité. Basé sur la topologie de L(r) = ¬rhô delta inversé2 rhô(r), le descripteur électrostatique (delta(L/rhô)) nous a permis d'évaluer quantitativement l'interaction électrostatique entre les régions de concentration (CC) et de dilution (CD) de charge de la couche de valence des atomes. L'énergie d'interaction (Eint) a été décrite à partir de descripteurs topologiques de rhô(r). Nous nous sommes intéressés également à la formation de fragments structuraux récurrents, appelés synthons. Il a été prouvé que le synthon peut être créé non seulement par des groupements d'atomes similaires, mais aussi par des ensembles de sites CC et CD qui sont impliqués de façon similaire dans la formation de contact / Understanding and control of intermolecular interactions play a crucial role in molecular recognition, crystal engineering, and biological systems. Three very frequent weak contacts linking the molecules in organic solids are halogen, chalcogen, and weak hydrogen bondings. In this thesis, we perform experimental and theoretical charge density rho(r) studies based on the QTAIM methodology for analyzing halogen and chalcogen bonding, and for comparing them with weak hydrogen bonding, as derived from the high-resolution single crystal X-ray diffraction multipole-refined electron density and from density functional theory (DFT) calculations. Defining the nature of these weak interactions as electrophilic-nucleophilic, we particularly focus on their strength and directionality. Based on the topology of L(r) = ¬rho inverted delta2 rho(r), a proposed electrostatic descriptor (delta(L/rho)) permitted us to evaluate quantitatively the electrostatic intensity between charge concentration (CC) and charge depletion (CD) regions belonging to the valence shell of the interacting atoms. The interaction energy (Eint) was described from the topological properties of rho(r). The attention has been also paid to the formation of recurrent structural fragments, called synthons. By the developed approach, it is proved that the synthon arrangement can be created not only by groups of atoms, but also by sets of CC and CD sites similarly involved in the contact formation