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  • About
  • The Global ETD Search service is a free service for researchers to find electronic theses and dissertations. This service is provided by the Networked Digital Library of Theses and Dissertations.
    Our metadata is collected from universities around the world. If you manage a university/consortium/country archive and want to be added, details can be found on the NDLTD website.
141

Investigation, design and implementation of circular-polarised antennas for satellite mobile handset and wireless communications : simulation and measurement of microstrip patch and wire antennas for handheld satellite mobile handsets and investigations of polarization polarity, specific absorption rate, and antenna design optimization using genetic algorithms

Khalil, Khaled January 2009 (has links)
The objectives of this research work are to investigate, design and implement circularly-polarized antennas to be used for handheld satellite mobile communication and wireless sensor networks. Several antennas such as Quadrifilar Spiral Antennas (QSAs), two arm Square Spiral and stripline or coaxially-fed microstrip patch antennas are developed and tested. These antennas are investigated and discussed to operate at L band (1.61-1.6214GHz) and ISM band (2.4835-2.5GHz) A substantial size reduction was achieved compared to conventional designs by introducing special modifications to the antenna geometries. Most of the antennas are designed to produce circularly-polarized broadside-beam except for wireless sensor network application a circularly-polarized conical-beam is considered. The polarization purity and Specific Absorption Rate (SAR) of two dual-band antennas for satellite-mobile handsets next to the human head are investigated and discussed, using a hybrid computational method. A small distance between the head and the handset is chosen to highlight the effects of the relatively high-radiated power proposed from this particular antenna. A Genetic Algorithm in cooperation with an electromagnetic simulator has been introduced to provide fast, accurate and reliable solutions for antenna design structures. Circularly-polarized quadrifilar helical antenna handset and two air-dielectric microstrip antennas were studied. The capabilities of GA are shown as an efficient optimisation tool for selecting globally optimal parameters to be used in simulations with an electromagnetic antenna design code, seeking convergence to designated specifications. The results in terms of the antenna size and radiation performance are addressed, and compared to measurements and previously published data.
142

Interplay of excitation transport and atomic motion in flexible Rydberg aggregates

Leonhardt, Karsten 24 November 2016 (has links) (PDF)
Strong resonant dipole-dipole interactions in flexible Rydberg aggregates enable the formation of excitons, many-body states which collectively share excitation between atoms. Exciting the most energetic exciton of a linear Rydberg chain whose outer two atoms on one end are closely spaced causes the initiation of an exciton pulse for which electronic excitation and diatomic proximity propagate directed through the chain. The emerging transport of excitation is largely adiabatic and is enabled by the interplay between atomic motion and dynamical variation of the exciton. Here, we demonstrate the coherent splitting of such pulses into two modes, which induce strongly different atomic motion, leading to clear signatures of nonadiabatic effects in atomic density profiles. The mechanism exploits local nonadiabatic effects at a conical intersection, turning them from a decoherence source into an asset. The conical intersection is a consequence of the exciton pulses moving along a linear Rydberg chain and approaching an additional linear, perpendicularly aligned Rydberg chain. The intersection provides a sensitive knob controlling the propagation direction and coherence properties of exciton pulses. We demonstrate that this scenario can be exploited as an exciton switch, controlling direction and coherence properties of the joint pulse on the second of the chains. Initially, we demonstrate the pulse splitting on planar aggregates with atomic motion one-dimensionally constrained and employing isotropic interactions. Subsequently, we confirm the splitting mechanism for a fully realistic scenario in which all spatial restrictions are removed and the full anisotropy of the dipole-dipole interactions is taken into account. Our results enable the experimental observation of non-adiabatic electronic dynamics and entanglement transport with Rydberg atoms. The conical intersection crossings are clearly evident, both in atomic mean position information and excited state spectra of the Rydberg system. This suggests flexible Rydberg aggregates as a test-bench for quantum chemical effects in experiments on much inflated length scales. The fundamental ideas discussed here have general implications for excitons on a dynamic network.
143

Theoretical and experimental study of tuned nonlinear energy sink : application to passive vibration control / Theoretical and experimental study of tuned nonlinear energy sink : application to passive vibration control

Qiu, Donghai 29 March 2018 (has links)
: Les travaux présentés dans cette thèse traitent du contrôle de systèmes dynamiques soumis à des excitations harmoniques et transitoires en utilisant des absorbeurs de type Nonlinear Energy Sink (NES). Plusieurs aspects ont été développés : la conception et la réalisation d'un nouveau design pour le NES cubique, l'étude de la location et du transfert irréversible d'énergie sur un NES bistable et le développement d'un critère de conception pour un NES à Vibro-Impact (VI). Dans un premier temps, un critère de conception est proposé pour le NES à raideur cubique. Le design proposé est basé sur des ressorts coniques ou des ressorts à pas variable. Un mécanisme à raideur négative est aussi introduit pour supprimer la partie linéaire et avoir une raideur cubique pure. Dans un deuxième temps, le concept du NES est validé expérimentalement par des essais statiques et des essais dynamiques. Une analyse de sensibilité est aussi menée sur la longueur des ressorts précontraints, elle dénote parfois un état bistable de l'oscillateur. Ensuite, le NES bistable ainsi obtenu est étudié plus en détail. Ce type d'absorbeur s'avère être très robuste pour différents types d’excitation. Des études expérimentales sont aussi menées afin d'explorer le comportement dynamique. Enfin, un critère de conception est proposé pour le NES à Vibro-Impact. Des calculs analytiques détaillés sont proposés pour contrôler les vibrations sous différentes excitations. L'étude expérimentale montre une bonne cohérence avec les résultats théoriques. / The work presented in this thesis deals with the passive control of dynamics systems subjected to harmonic and transient excitations using a Nonlinear Energy Sink (NES). Several research aspects have been developed: design theory and experimental study of a novel NES, efficient Targeted Energy Transfer (TET) of bistable NES and design criteria for optimally tuned Vibro-Impact (VI) NES. Firstly, a design criterion intended to provide optimal nonlinear stiffness is proposed. Then a novel design of NES system yielding cubic stiffness with conical springs or variable pitch springs and negative stiffness mechanism is developed. Secondly, the experimental procedures for static and dynamic test are presented and applied to validate the concept of NES system. Then a sensitivity analysis is performed with respect to the pre-compressed length of springs. Thirdly, the optimal design of the above device with negative stiffness (termed as bistable NES) is studied. This type of NES is proved to work robustly for different types of excitation, and experimental study of semi-active control are explored. Finally, design criteria for optimally tuned VI NES are studied. Detailed analytical calculations of clearance to control the vibration under different excitations are proposed. A good correspondence between theoretical and experimental results is observed.
144

Extensions, cohomologie cyclique et théorie de l'indice / Extensions, cyclic cohomology and index theory

Rodsphon, Rudy 03 November 2014 (has links)
Le théorème de l'indice d'Atiyah et Singer, démontré en 1963, est un résultat qui a permis de relier des thématiques mathématiques variées, allant des équations aux dérivées partielles a la topologie et la géométrie différentielle. Plus précisément, il fait le lien entre la dimension de l'espace des solutions d'une équation aux dérivées partielles elliptique et des invariants topologiques du type (co)homologie, et a des applications importantes, regroupant plusieurs théorèmes majeurs venant de divers domaines (géométrie algébrique, topologie différentielle, analyse fonctionnelle). D'un autre cote, les fonctions zêta associées à des opérateurs pseudo différentiels sur une variété riemannienne close contiennent dans leurs propriétés analytiques des informations intéressantes. On peut par exemple retrouver dans les résidus le théorème de Weyl sur l asymptotique du nombre de valeurs propres d'un laplacien, et en particulier le volume de la variété. En se plaçant dans le cadre de la géométrie différentielle non commutative développée par Connes, on peut pousser cette idée plus loin. Plus précisément, on peut obtenir, en combinant des techniques de renormalisation zêta avec la propriété d'excision en cohomologie cyclique, des théorèmes d'indice dans l'esprit de celui d'Atiyah-Singer. L'intérêt de ce point de vue réside dans sa généralisation possible à des situations géométriques plus délicates. La présente thèse établit des résultats dans cette direction / The index theorem of Atiyah and Singer, discovered in 1963, is a striking result which relates many different fields in mathematics going from the analysis of partial differential equations to differential topology and geometry. To be more precise, this theorem relates the dimension of the space of some elliptic partial differential equations and topological invariants coming from (co)homology theories, and has important applications. Many major results from different fields (algebraic topology, differential topology, functional analysis) may be seen as corollaries of this result, or obtained from techniques developed in the framework of index theory. On another side, zeta functions associated to pseudodifferential operators on a closed Riemannian manifold contain in their analytic properties many interesting informations. For instance, the Weyl theorem on the asymptotic number of eigenvalues of a Laplacian may be recovered within the residues of the zeta function. This gives in particular the volume of the manifold, which is a geometric data. Using the framework of noncommutative geometry developed by Connes, this idea may be pushed further, yielding index theorems in the spirit of the one of Atiyah Singer. The interest in this viewpoint is to be suitable for more delicate geometrical situations. The present thesis establishes results in this direction
145

On diode-pumped solid-state lasers

Hellström, Jonas January 2007 (has links)
The research that is presented in this thesis can be divided into two major parts. The first part concerns longitudinally pumped, bulk Er-Yb lasers. In these lasers, the main limitation is the thermal shortcomings of the phosphate glass host material. From the laser experiments and the spectroscopic measurements on crystalline host materials, as well as an investigation to bring further light to the physical background of the involved dynamics, the thesis presents some novel results that contribute to the search for a crystalline replacement. The second part concerns novel laser concepts applied to Yb-doped double tungstate lasers. Different crystal orientations are investigated, such as an athermal orientation for reduced thermal lensing and a conical refraction orientation for complete polarization tuning. Furthermore, the introduction of volume Bragg gratings in the cavity enables wide spectral tuning ranges and extremely low quantum defects. Regarding the first part, the main results are the achievement of 15 % slope efficiency in a monolithic, continuous-wave Yb:GdCOB laser and the achievement of Q-switching of the same laser. The Q-switched pulse durations were around 5-6 ns and the Q-switched slope efficiency was 11.6 %. For both lasers, a maximum output power of 90 mW was obtained, which is close to ordinary glass lasers under similar conditions. A spectroscopic investigation into the Er,Yb-codoped double tungstates was also performed and the results have enabled mathematical modeling of the fluorescence dynamics in these materials. Finally, the temperature dependence of the dynamics in Er,Yb:YAG was studied and the results have given some insight into the physical background of the mechanisms involved. Regarding the second part, different end-pumped Yb:KReW laser cavities were constructed to demonstrate the different concepts. With a laser crystal cut for propagation along the athermal direction at 17º angle clockwise from the dielectric direction Nm, the thermal lens could be reduced by 50 %. In these experiments the maximum output power was 4 W at 60 % slope efficiency. In another cavity incorporating a volume Bragg grating in a retroreflector set-up, the wavelength could be continuously tuned between 997 - 1050 nm. The spectral bandwidth was 10 GHz and the peak output power was 3 W. The same output power could also be obtained at 1063 nm with the grating positioned as an output coupler instead. If, on the other hand, the grating was positioned as an input coupler, 3.6 W output power at 998 nm was obtained at a quantum defect of only 1.6 %. Furthermore, using a crystal oriented for propagation along an optic axis, internal conical refraction could be used to establish arbitrary control of the polarization direction as well as the extinction ratio. Even unpolarized light could be enforced despite the highly anisotropic medium. With this configuration, the maximum output power was 8.6 W at 60 % slope efficiency which equals the performance of a reference crystal with standard orientation. The completely novel concepts of laser tuning with Bragg grating retroreflectors, of low quantum defect through Bragg grating input couplers and of polarization tuning by internal conical refraction can all easily be applied to several other laser materials as well. / QC 20100713
146

Untersuchungen an einer Kolbenexpansionsmaschine mit integrierten Wärmeübertragerflächen (Wärmeübertrager-Expander) zur Realisierung eines neuartigen Neon-Tieftemperatur-Prozesses

Fredrich, Ole 01 March 2005 (has links) (PDF)
Viele Anwendungen der Hochtemperatur-Supraleitung arbeiten vorteilhaft im Temperaturbereich zwischen 30 - 50 K. Für diesen Temperaturbereich existieren nur wenige geeignete Kältemaschinen mit kleiner Kälteleistung (1-2 W) u. gutem Wirkungsgrad. Neon ist aufgrund seiner Stoffeigenschaften ein hervorragendes Kältemittel für diesen Temperaturbereich, wie z.B. anhand einer realisierten Joule-Thomson (JT) Demonstrationsanlage deutlich wird. Als Ergebnis einer Prozessanalyse wird ein Kreislauf vorgestellt, der speziell den Eigenschaften von Neon angepasst ist. Durch die Überlagerung von Wärmeübertragung u. arbeitsleistender Expansion sowie der Einbeziehung einer JT-Stufe kann auch mit wenig effizienten Komponenten ein vergleichsweise hoher Gütegrad erreicht werden. Durch die Integration von Wärmeübertragerflächen in eine Kolbenexpansionsmaschine wird ein neues Konzept vorgeschlagen, um Kälte in einem großen Temperaturbereich in vielen Expansionsschritten zu erzeugen, ohne dafür viele Expander zu verwenden. Diese Einheit wird als Wärmeübertrager-Expander (WE) bezeichnet. Mit einem Arbeitsraum in konischer Grundform wird der Wärmeübergangskoeffizient günstig gestaltet u. die Wärmeübergangsfläche vergrößert. Mehrere Versuchsmaschinen wurden untersucht. Anhand der Versuche konnten die wesentlichen Verlustquellen u. Problembereiche identifiziert werden. Es wurde im Rahmen der Versuchsbedingungen nachgewiesen, dass für das vorgesehene Druckverhältnis eine nahe isotherme Expansion u. Kompression möglich ist. Es werden Möglichkeiten zur Verringerung der Längswärmeleitung vorgestellt. Zwei Simulationsprogramme wurden verwendet. Mit Hilfe des Wärmeübertrager-Programms wurden die Wärmeübertragungsvorgänge unter Berücksichtigung der Längswärmeleitung simuliert. Hierbei geht die Expansionsarbeit als stationäre Wärmesenke ein. Der im Ergebnis vorliegende stationäre Temperaturverlauf ist die Grundlage für die Berechnung der Expansionsarbeit unter Berücksichtigung der Realgaseigenschaften im Expander-Programm. Für die Neon-Tieftemperaturvariante wurde eine Grundvariante des WE definiert. Anhand dieser wurde mit Hilfe der Programme der Einfluss verschiedener Parameter auf Kälteleistung u. Gütegrad untersucht. Der WE wird als Teil des beschriebenen Prozesses mit einer JT-Stufe betrachtet. Die Kälteleistung weist sowohl in Abhängigkeit vom Massestrom als auch vom Hub ein Maximum auf. Der Shuttle-Verlust verschiebt durch Wärmetransport mittels des Kolbens die effektive Kälteleistung zu kleineren Hüben. Die durch die Güte (NTU) des JT-Wärmeübertragers bestimmte Eintrittstemperatur des Niederdruckstroms in den WE hat einen großen Einfluss auf die Kälteleistung. Mit steigender Eintrittstemperatur steigen der NTU-Wert für den Arbeitsraum u. somit auch die Kälteleistung. Das Maximum der Kälteleistung stimmt nicht mit dem Optimum für den Gütegrad überein. Der Gütegrad strebt mit sinkenden Masseströmen einem Optimum zu. Durch den zunehmenden Einfluss der Längswärmeleitung u. begrenzt durch die Minimalfüllung der Maschine aufgrund des Schadraumes ergibt sich ein Optimum. Der Einfluss des Massestroms ist entscheidend. Als untergeordnete Größen beeinflussen die Eintrittstemperatur des Niederdruckstroms u. der Hub den optimalen Gütegrad. Der Einfluss der Längswärmeleitung auf Kälteleistung u. Gütegrad wird exemplarisch anhand von vergleichenden Rechnungen gezeigt. Konkret kann für einen Eintrittsdruck von 200 bar, einen Austrittsdruck von 60 bar bei einer Eintrittstemperatur des Niederdruckstroms von 80 K für die Grundvariante eine maximale effektive Kälteleistung von 1,3 W mit einem Massestrom von 0,22 g/ s bei einem Hub von ca. 17 mm ausgewiesen werden. Der effektive Gütegrad für diese Bedingungen beträgt ca. 14%. Kommerzielle Split-Stirlingkühler erreichen bei 42 K einstufig Gütegrade von ca. 7%. Mit der vorgeschlagenen Konfiguration wird ein Konzept vorgestellt, das trotz technologisch offener Fragen das Gütegradniveau bekannter Kryokühler übertreffen kann. / Many applications of high temperature superconductivity are working advantageously within a temperature range between 30 K and 50 K. But for this temperature range only few suitable cryocooler with small refrigerating capacity (1-2 W) and good efficiency exist.Due to its properties Neon is an excellent refrigerant for this temperature level as an example with realised Joule-Thomson plant shows. A process analysis results in the presented cycle which is especially adapted to the properties of Neon. By combination of heat exchange and work extracting expansion and integration of a Joule-Thomson stage a high efficiency could be reached in spite of less efficient components.By arranging heat exchanger surfaces into a piston expansion machine a new concept is suggested to produce refrigeration in a large temperature range with a lot of expansion steps with reduced number of expanders. This unit is referred hereinafter to as heat exchanger-expander.The conical shaped working space results in an increase of the heat transfer coefficient and the heat transfer area.Several test machines were investigated. By means of testing the main loss sources and critical zones could be identified. The test results prove the opportunity of a near isothermal expansion and compression for the specified pressure ratio.Options to reduce the axial heat conduction are presented.Two simulation programs were utilised. Using the heat exchanger program the heat transfer is simulated in consideration of the axial heat conduction. Thereby the expansion work is considered as a stationary heat sink. The resulting stationary temperature pattern is the base for the expansion work calculation using the real gas properties in the expander program. Referring to the defined basic neon low temperature application the influence of different parameters on refrigerating capacity and efficiency was researched with the programs. The heat exchanger-expander is part of the described process with a Joule-Thomson stage. The refrigerating capacity shows a maximum depending as well from the mass flow as from the stroke. In result of the shuttle loss smaller strokes lead to better capacity due to heat transport with the piston.The inlet temperature of the low pressure flow influenced by the quality (NTU) of the Joule-Thomson heat exchanger has a large influence on the refrigerating capacity. With increasing inlet temperature the number of transfer units (NTU) for the fluid in the working volume increases and so the refrigerating capacity, too. The location of refrigerating capacity maximum and efficiency optimum is different. While decreasing mass flow efficiency is increasing to an optimum caused by the increased influence of axial heat conduction but limited by the minimum charge of the machine due to the dead space. The influence of the mass flow is dominating. As lower range values the inlet temperature of the low pressure flow and the stroke are influencing the optimal efficiency. The influence of axial heat conduction on refrigerating capacity and efficiency is shown using comparing calculations.For an inlet pressure of 200 bar, an outlet pressure of 60 bar, an inlet temperature of the low pressure flow of 80 K, a mass flow of 0,22 g/ s and a stroke of about 17 mm for the basic version of heat exchanger-expander a maximal effective refrigerating capacity of 1,3 We could be shown. The effective efficiency therefore is 14 %. Current commercial split Stirling cryocooler reach with single stage operation efficiencies of about 7 % at 42 K. The suggested configuration represents a concept that could be able to master the efficiency level of known cryocooler.
147

Géométrie des surfaces singulières / Geometry of singular surfaces

Debin, Clément 09 December 2016 (has links)
La recherche d'une compactification de l'ensemble des métriques Riemanniennes à singularités coniques sur une surface amène naturellement à l'étude des "surfaces à Courbure Intégrale Bornée au sens d'Alexandrov". Il s'agit d'une géométrie singulière, développée par A. Alexandrov et l'école de Leningrad dans les années 1970, et dont la caractéristique principale est de posséder une notion naturelle de courbure, qui est une mesure. Cette large classe géométrique contient toutes les surfaces "raisonnables" que l'on peut imaginer.Le résultat principal de cette thèse est un théorème de compacité pour des métriques d'Alexandrov sur une surface ; un corollaire immédiat concerne les métriques Riemanniennes à singularités coniques. On décrit dans ce manuscrit trois hypothèses adaptées aux surfaces d'Alexandrov, à la manière du théorème de compacité de Cheeger-Gromov qui concerne les variétés Riemanniennes à courbure bornée, rayon d'injectivité minoré et volume majoré. On introduit notamment la notion de rayon de contractibilité, qui joue le rôle du rayon d'injectivité dans ce cadre singulier.On s'est également attachés à étudier l'espace (de module) des métriques d'Alexandrov sur la sphère, à courbure positive le long d'une courbe fermée. Un sous-ensemble intéressant est constitué des convexes compacts du plan, recollés le long de leurs bords. A la manière de W. Thurston, C. Bavard et E. Ghys, qui ont considéré l'espace de module des polyèdres et polygones (convexes) à angles fixés, on montre que l'identification d'un convexe à sa fonction de support fait naturellement apparaître une géométrie hyperbolique de dimension infinie, dont on étudie les premières propriétés. / If we look for a compactification of the space of Riemannian metrics with conical singularities on a surface, we are naturally led to study the "surfaces with Bounded Integral Curvature in the Alexandrov sense". It is a singular geometry, developed by A. Alexandrov and the Leningrad's school in the 70's, and whose main feature is to have a natural notion of curvature, which is a measure. This large geometric class contains any "reasonable" surface we may imagine.The main result of this thesis is a compactness theorem for Alexandrov metrics on a surface ; a straightforward corollary concerns Riemannian metrics with conical singularities. We describe here three hypothesis which pair with the Alexandrov surfaces, following Cheeger-Gromov's compactness theorem, which deals with Riemannian manifolds with bounded curvature, injectivity radius bounded by below and volume bounded by above. Among other things, we introduce the new notion of contractibility radius, which plays the role of the injectivity radius in this singular setting.We also study the (moduli) space of Alexandrov metrics on the sphere, with non-negative curvature along a closed curve. An interesting subset is the set of compact convex sets, glued along their boundaries. Following W. Thurston, C. Bavard and E. Ghys, who considered the moduli space of (convex) polyhedra and polygons with fixed angles, we show that the identification between a convex set and its support function give rise to an infinite dimensional hyperbolic geometry, for which we study the first properties.
148

Surfaces de Cauchy polyédrales des espaces temps plats singuliers / Polyhedral Cauchy-surfaces of flat space-times

Brunswic, Léo 22 December 2017 (has links)
L'étude des espaces-temps plats singuliers munis d'une surface de Cauchy polyédrale est motivée par leur rôle de model jouet de gravité quantique proposé par Deser, Jackiw et 'T Hooft. Cette thèse porte sur les paramétrisations de certaines classes d'espaces-temps plat singuliers : les espaces-temps plats avec particules massives et BTZ Cauchy-compacts maximaux. Deux paramétrisations sont proposées, l'une reposant sur une extension du théorème de Mess aux espaces-temps plats avec BTZ et la surface de Penner-Epstein, l'autre reposant sur une généralisation du théorème d'Alexandrov aux espaces-temps plats avec particules massives et BTZ. Ce travail propose également une amorce de cadre théorique permettant de considérer des espaces-temps singuliers plus généraux. / The study of singular flat spacetimes with polyhedral Cauchy-surfaces is motivated by the quantum gravity toy model role they play in the seminal work of Deser, Jackiw and 'T Hooft. This thesis study parametrisations of classes of singular flat spacetimes : Cauchy-compact maximal flat spacetimes with massive and BTZ-like singularities. Two parametrisations are constructed. The first is based on an extension of Mess theorem to flat spacetimes with BTZ and Penner-Epstein convex hull construction. The second is based on a generalisation of Alexandrov polyhedron theorem to radiant Cauchy-compact flat spacetimes with massive and BTZ-like singularities. This work also initiate a wider theoretical background that encompass singular spacetimes.
149

Simulations quantiques non-adiabatiques d’un photo-interrupteur moléculaire vers un dialogue expérience-théorie / Quantum non-adiabatic simulations of a molecular photoswitch to a experimental-theoretical collaboration

Gonon, Benjamin 21 November 2017 (has links)
Cette thèse a pour objet l’étude et le contrôle de la photo-réactivité d’interrupteurs moléculaires, en particulier la photo-isomérisation des spiropyranes. Ce travail théorique a été réalisé en collaboration étroite avec l’équipe expérimentale PFL de l’ICB à Dijon. Des simulations de dynamique quantique non-adiabatique ont été réalisées afin de reproduire et rationaliser les résultats expérimentaux de spectroscopie d’absorption transitoire résolue en temps. Ces expériences ont montré une photo-réactivité ultra-rapide (~ 100 fs) suite à une excitation par une pulse LASER ultra-court. Celle-ci est interprétée comme un mécanisme de conversion interne entre le premier état électronique excité singulet et l’état fondamental via une intersection conique. L’étude théorique a utilisé la réaction d’ouverture de cycle du benzopyrane comme modèle. Les développements réalisés ont porté sur : (1) L’exploration du mécanisme réactionnel et le calcul de surfaces d’énergie potentielle via des méthodes de chimie quantique post-CASSCF perturbatives (XMCQDPT2). Cette analyse a montré des résultats variant fortement par rapport à ceux relevés dans la littérature à des niveaux de calcul moins élevés. (2) Le développement d’un modèle de surfaces d’énergie potentielle électronique par la construction d’un hamiltonien diabatique à partir de données ab initio XMCQDPT2. Du fait de l’importante anharmonicité de l’état électronique fondamental, nous avons mis en place une approche effective en rupture avec les études antérieures. (3) La réalisation de simulations de dynamique quantique non-adiabatique par la méthode MCTDH. Les résultats obtenus sont en très bon accord avec les résultats expérimentaux. L’inclusion explicite du pulse LASER a permis de reproduire et de rationaliser l’effet de contrôle par mise en forme d’impulsion observé expérimentalement. Ce travail a ainsi permis la mise en place d’une collaboration et d’un dialogue théorie/expérience effectifs. / This thesis adresses the study and control of the photo-reactivity of molecular switches, here the photo-isomerisation of spiropyrans. This theoretical work has been achieved in close collaboration with the experimental team PFL within the ICB in Dijon. Non-adiabatic quantum dynamics simulations were carried out so as to reproduce and rationalise the experimental results from time-resolved transient absorption spectroscopy. Such experiments have demonstrated ultra-fast photo-reactivity (~ 100 fs) following excitation by an ultra-short LASER pulse. It is interpreted as an internal conversion mechanism between the first singlet excited eletronic state and the ground state via a conical intersection. The theoretical study used the ring-opening reaction of benzopyran as a model. Developments were made regarding: (1) The exploration of the reaction mechanism and the computation of potential energy surfaces with perturbative, post-CASSCF quantum chemistry methods (XMCQDPT2). This investigation showed that results changed significantly compared to those reported in the literature with lower-level calculations. (2) The generation of a diabatic Hamiltonian based on ab initio XMCQDPT2 data. Owing to the significant anharmonicity in the ground electronic state, we designed a new effective approach, quite different from the previous studies. (3) The production of non-adiabatic quantum dynamics simulations using the MCTDH method. The results thus obtained are in excellent agreement with the experimental ones. Including explicitly the LASER pulse allowed us to reproduce and rationalise the action of pulse shaping on control observed in experiments. The present work thus made possible the succesful implementation of a theoretical/experimental collaboration.
150

Grip, slip, petals, and pollinators : linking the biomechanics, behaviour and ecology of interactions between bees and plants

Pattrick, Jonathan Gilson January 2018 (has links)
The ability to grip on petal surfaces is of crucial importance for the interactions between bees and flowers. In this thesis, I explore the biomechanics of attachment and morphological diversity of bee attachment devices, linking this to the behavioural ecology of bee interactions with flowers. Attachment devices come in two main kinds: claws or spines, and adhesive pads. Claw functioning is poorly described, particularly in terms of how their performance depends on body size, claw geometry, and surface roughness. Claw attachment performance was investigated using several insect species, each covering a large range of body masses. Weight-specific attachment forces decreased with body size, with claw sharpness seemingly playing a role. In bees there is considerable interspecific variation in tarsal claw morphology. This variation, and arolia presence/absence, was categorised for the large bee family Apidae. Cleft/bifid claws were shown to be present in the majority of the Apidae, often with differences between sexes and clades. Using Bombus terrestris, there was no evidence that cleft claws are important for pollen collection; however, I found that the inner tooth of cleft claws can act as a backup if the main tooth breaks. Although this may be one function of cleft claws, there are clearly other unresolved functions well worth further exploration. Investigations were undertaken to explore how petal surface roughness affects bee foraging behaviour. Lab-based foraging trials on B. terrestris visiting artificial flowers varying in slope, surface texture and sugar reward revealed a trade-off between the biomechanical difficulty of visiting and handling the ‘flowers’ and the quality of the reward offered. Flowers that were difficult to grip were often avoided even if they offered a higher reward. To further investigate reward preferences of bees, the effect of sucrose concentration on honey stomach offloading times was also explored. Although the majority of petals do have a rough surface, some have slippery petals. In the field, bumblebees avoided landing on slippery hollyhock petals in favour of the easy-to-grip staminal column. In contrast, honey bees, which are smaller and have larger adhesive pads, landed on both the staminal column and the petals. Slippery petals may be an adaptation to increase contact with plant reproductive structures. Grip is also important to allow the honey bee parasite Varroa destructor to climb on to their host. Attachment forces experiments found that V. destructor could support > 300 times their body mass on honey bees, giving them strong attachment even when bees attempt to remove them through grooming. A grooming-based device for treating V. destructor was tested in an apiary trial. The device was ineffective, providing valuable information for beekeepers considering using this product. In summary, this thesis improves our understanding of the biomechanics of attachment as well as identifying several important aspects of grip in bee-plant interactions.

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