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Modèle d’endommagement incrémental en temps pour la prévision de la durée de vie des composites tissés 3D en fatigue cyclique et en fatigue aléatoire / A kinetic damage model to predict the lifetime of 3D woven composite for cyclic fatigue and complex fatigue loadsAngrand, Lise 01 February 2016 (has links)
Les travaux présentés dans ce document s’insère dans le cadre du Projet de Recherche Concerté PRC Composites, financé par la DGAC et impliquant le groupe Safran, l’Onera et un grand nombre de laboratoires du CNRS de le LMT Cachan. Un des objectifs principal du PRC est d’établir des modèles pour la simulation du comportement mécanique, de la durabilité et encore des procédés de fabrication des pièces composites CMC & CMO. Ces travaux de thèse se focalisent sur l’étude du comportement des composites tissés 3D aux sollicitations de fatigue mécanique. Ils font suite aux travaux menés à l’Onera sur un modèle d’endommagement en cycles pour la fatigue des composites CMO tissés 3D, nommé ODM-CMO. Nous proposons un modèle dit « temporel », nommé OD ̇M, qui détermine l’évolution de l’endommagement de façon continue, en fonction du temps. Ce modèle est alors capable d’une part de prendre en compte des chargements de fatigue cycliques, et d’autre part les chargements de fatigue complexes, aléatoires. La loi d’endommagement proposée fait intervenir deux contributions, une contribution monotone et une contribution de fatigue. La contribution monotone est totalement équivalente à la loi monotone du modèle initial ODM-CMO, les paramètres sont alors facilement identifiables. La contribution de fatigue n’est pas équivalente à la loi du modèle ODM-CMO, ceci s’explique notamment par le fait qu’il existe différentes façon de prendre en compte la notion de contrainte moyenne, notion primordiale concernant l’étude de la fatigue. Nous avons choisi de prendre en compte l’effet de contrainte moyenne en ajoutant le calcul d’une moyenne originale qui évolue au cours du chargement dans la contribution de fatigue de la loi d’endommagement. L’identification des paramètres de fatigue se déroule en deux étapes. La première étape se base sur une simplification du jeu d’équation du modèle (élasticité et endommagement non couplé) de façon à déterminer une relation simple, en 1D, entre le nombre de cycles à rupture et la contrainte maximale. Cette expression nous permet alors de tracer rapidement les diagrammes de Wöhler (σ_a ou σ_Max vs N_R) ainsi que les diagrammes de Haigh (σ_a vs σ ̅). Ces diagrammes nous permettent de faire une première identification des paramètres de la contribution de fatigue de la loi d’endommagement. La seconde étape consiste à recaler certains paramètres en utilisant le modèle complet, de façon numérique, le modèle ayant été programmé en 3D tant pour un pilotage en déformation que pour un pilotage en contrainte. La méthodologie proposée nécessite néanmoins d’avoir un nombre important de résultats d’essais de fatigue. Elle permet l’identification à d’autres températures dans le but de proposer des modélisations anisothermes. Le modèle d’endommagement est rendu probabiliste grâce à une première approche, pragmatique, en fatigue à grands nombres de cycles. Un paramètre du modèle initialement considéré comme déterministe, prend le statut de variable aléatoire, il s’agit du seuil d’endommagement de fatigue (en déformation) délimitant le domaine d’endurance illimitée. L’idée étant de pouvoir associer à une probabilité de rupture (ou de survie) à une limite de fatigue « asymptotique ». / The work presented in this report is part of the Collaborative Research Project PRC Composites, funded by the DGAC involving Safran, Onera and several CNRS laboratories whose LMT Cachan. One of the main objectives of this project PRC is to establish models capable to simulate the mechanical behavior, durability and still manufacturing processes for composite PMC. This thesis focus on the study of the behavior of 3D woven composite to mechanical fatigue stresses. This thesis further to the work developed at Onera on cycle damage models for fatigue on PMC, named ODM-PMC. We propose a kinetic damage model, which calculates the kinetic damage evolution, over time. This model is then able to take into account the cycle fatigue loads, and on the other hand the complex or random fatigue loads. The proposed kinetic damage law involves two damage contributions, a monotonous contribution for static loads and a fatigue contribution for fatigue loads. The monotonous contribution is fully equivalent to the monotonous law of ODM-PMC model, the parameters are easily identifiable. The fatigue contribution is not equivalent to the fatigue damage law of initial model ODM-PMC, this is explained by the fact that there are different ways to take into account the average stress effect, unavoidable concept for the study of fatigue loads. We have chosen to consider the mean stress effect by adding the calculation of a mean that evolves during the loading. The identification of fatigue parameters takes place in two steps. The first step is based on a simplification of the model equation set (elasticity and damage are not coupled) to determine a simple relationship, 1D, between the number of cycles to failure and the maximum stress. This expression allows us then quickly to draw diagrams Wohler (σ_a ou σ_Max vs N_R) as well as Haigh diagram (σ_a vs σ ̅). These diagrams allow us to make an initial identification of fatigue parameters. The second step is to readjust certain parameters using the full model 3D, numerical, the 3D model was been encoded for both strain and stress steering. Nevertheless, the methodology requires having a lot of experimental results. It allows also to identifying fatigue parameters at other temperatures in order to provide isothermal modeling. The damage model is made with a first probabilistic approach, pragmatic, to the great number of cycles fatigue. One parameter (determinist), is defined as a random variable, it is the fatigue damage threshold (strain) delimiting the endurance unlimited domain.
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Designing and Building a Novel Magnetic Heating System to Investigate the Dependence of the Magnetic System and the Optical Emission from NanoparticlesAlgaddafi, Ali E. January 2022 (has links)
A Magnetic Heating Coil (MHC) has been designed, which has the potential to interact with magnetic Nanoparticles (NPs) to produce local temperature changes. The aim is to design a device capable of studying medically targeted magnetic-fluorescent core-shell NPs (with potential applications in cancer therapy via hyperthermia). Very little is known about how the magnetic-fluorescent NPs respond to magnetic fields and the effect this would have on their optical properties, therefore, considerable work is still required in order to understand the detailed interactions. Several modelling and simulations of the MHC were conducted besides developing the MHC that was designed and built for small samples of NPs (1-10ml volumes). Two different heating coil geometries were examined (coil A and coil B), where the former operates at 83 kHz and the latter operates at 125 kHz. Several tests for fluorescent emission, lifetime and anisotropy with several different NPs samples were conducted. We found that as the temperature increased from 5 °C to 45 °C, the fluorescence lifetime dropped from 3.8 ns to 3.6 ns. Also, the correlation time of the fluorescence in dilute solutions with varying temperatures from 20 °C to 40 °C was investigated, and it was found that decreased from 0.9 ns to 0.6 ns showing that the rotational diffusion of the dye increased and the molecules become more mobile. The MNPs were found to quench the fluorescent emission at high concentrations. Also, the MNPs induce only a small change in a lifetime from 3.9 ns to 3.4 ns. / Libyan Higher Ministry of Education
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Determination of the denitrification capacity of unconsolidated rock aquifers using 15N tracer experiments at groundwater monitoring wells - development of a new method to assess actual and future denitrification in aquifersEschenbach, Wolfram 28 January 2014 (has links)
No description available.
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Modèles multi-niveaux de prévision des durées de vie en fatigue des structures composites à matrice céramique pour usage en turbomachines aéronautiques / Multi-level models for fatigue life prediction of ceramic matrix composite structures used in aircraft turbo-enginesHemon, Elen 15 November 2013 (has links)
L’enjeu actuel pour les industriels de l’aéronautique est de diminuer la consommation en carburant et/ou d’augmenter le rendement des avions. A terme, Safran souhaite remplacer les aubes de turbine, actuellement en superalliage, par des aubes en matériau composite tissé de type SiC/SiBC. Il est alors important de prévoir leurs durées de vie. Ce travail a donc consisté à développer un modèle de durée de vie pour ces composites autocicatrisants. Ces matériaux tissés sont constitués de fibres Nicalon, d’une interphase de pyrocarbone et d’une matrice autocicatrisante multicouche (B4C, SiC et SiBC). La particularité de ces composites est l’oxydation de chaque constituant du matériau en fonction de l’environnement (température, atmosphère sèche ou humide). Le modèle de durée de vie développé offre un compromis entre des temps de calcul réduits, malgré la prise en compte de phénomènes physico-chimiques complexes, et une prévision de la durée de vie suffisamment précise. L’approche retenue est un couplage entre un modèle d'endommagement mécanique et un modèle physico-chimique. Un modèle de durée de vie uniaxial a été proposé afin de justifier les différents couplages nécessaires entre les parties mécanique et physico-chimique mais également pour optimiser les algorithmes de résolution. Ce modèle a permis d’identifier les coefficients pour deux nuances de matériaux. Afin de réaliser des essais de structures, un modèle de durée de vie multiaxial a été proposé et implanté dans le code de calcul ZéBuLoN. Un protocole d’identification a également été proposé dans ce travail même si les essais de caractérisation jusqu’ici réalisés ne sont pas suffisants pour identifier complètement le modèle 3D sur ces matériaux. / The current challenge for the aerospace industry is to decrease the fuel consumption and/or to increase the performance of planes. In the future, Safran Group wishes to replace the turbine blades, currently in superalloy, with woven composite SiC/SiBC material blades. Therefore, it is important to predict their life time. This work involved developing a life time model of these self-healing composites. These woven materials are made up of Nicalon fibers, and an interphase of pyrocarbone and a self-healing matrix (B4C, SIC and SiBC). The particularity of these composites is the oxidation of every constituent of the material depending on the environment (temperature, dry or wet atmosphere). The developed life time model offers a compromise between reduced calculating time, in spite considering complex physico-chemical phenomena, and an accurate enough prediction of the life time. The approach chosen is a coupling between a mechanical damage model and a physico-chemical model. A uniaxial life time model was proposed to explain the different necessary couplings between the mechanical and physico-chemical parts but also to optimize the resolution algorithms. This model enabled to identify the coefficients for two grades of materials. In order to carry out tests of structures, a multiaxial life time model was proposed and implemented in the ZéBuLoN Finite Element code. A protocol of identification was also proposed in this work even if the characterization tests so far realized are not sufficient to identify the 3D-Model for these materials.
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Modélisation de la durée de vie d'un revêtement aluminoformeur en conditions de sollicitations thermo-mécaniques / Lifetime modelling of turbine blade coatings under thermo-mechanical loadingsSallot, Pierre 29 November 2012 (has links)
Cette étude a pour objectif de modéliser la durée de vie d'un revêtement NiAlPt déposé sur un substrat monocristallin base Ni (AM1). De façon standard, la durée de vie des revêtements est évaluée en mesurant l'évolution de la masse d'un échantillon revêtu au cours d'un essai de cyclage thermique. Des modèles de durée de vie fondés sur ces mesures sont très bien adaptés aux revêtements pour lesquels la couche d'oxyde est peu adhérente, ce qui n'est pas le cas pour le revêtement NiAlPt objet de cette étude. D'autre part, il est impossible d'obtenir des courbes de gain de masse pour des conditions de chargement thermo-mécaniques complexes, tels que ceux supportés par une aube aéronautique en service. C'est pourquoi nous avons choisi d'étudier l'évolution de la microstructure du revêtement au cours du vieillissement et d'établir des liens entre cette évolution microstructurale et la durée de vie évaluée sur des essais de cyclage thermiques.La base d'essai réalisée regroupe des essais d'oxydation cycliques à différentes températures et fréquences de cyclage ainsi que des essais de fatigue mécano-thermique, en phase, hors-phase et complexes. Pour chaque condition testée, des essais interrompus ont permis d'estimer les évolutions microstructurales en fonction des conditions de chargement thermo-mécanique jusqu'à des temps relativement longs. Nous avons en particulier estimé les évolutions de rugosité de surface, d'épaisseur de la couche d'interdiffusion entre le revêtement et le superalliage, et la fraction de phase γ' transformée. Ces deux paramètres sont corrélés respectivement au maximum de la courbe de gain de masse et au nombre de cycle nécessaire pour atteindre un gain de masse nul, pour le système étudié en oxydation cyclique.Nous avons modélisé l'évolution de l'épaisseur de la couche d'interdiffusion en fonction des conditions de chargement thermo-mécaniques. La transformation de phase a été modélisée à l'aide d'un bilan de flux de matière dans le revêtement fonction de l'intégrité de la couche d'oxyde de croissance et de la rugosité de surface. Ces deux modèles ont permis d'estimer l'évolution microstructurale du revêtement en fonction des différents paramètres de chargement thermo-mécanique, et donc d'estimer une durée de vie basée sur ces critères. / This study aims at modeling the life time of a NiAlPt coating used at high temperature and deposited on a single crystal nickel-based superalloy AM1. Usually, the life time of coatings is estimated through the evaluation of the mass of coated samples (Net Mass Gain curves), during thermal cycling tests. Existing models are very suitable to describe the evolution of coating in the case of poorly adherent oxide layer. Unfortunately, this is not the case of the studied NiAlPt coating. Moreover, it is impossible to obtain experimentally the Net Mass gain curve of a sample subjected to thermo-mechanical loading, experienced by engine components. Thus, the strategy adopted in this study is to correlate the microstructure of the coating with its life time, evaluated during thermal cycling.The experimental work included cyclic oxidation tests at different temperatures, cycling frequencies and in-phase, out-of-phase and complex thermo-mechanical loadings. For each of the tested condition, interrupted tests allowed the characterization of the microstructure evolution as a function of the loading parameters up to relatively long ageing time. Especially, the roughness of the coating surface has been investigated as well as the interdiffusion zone (IDZ) thickness evolution or the fraction of γ' phase transformed within the coating. These two last parameters where found to be correlated respectively to the time needed to reach the maximum of the Net Mass Gain curve and the time needed to reach the zero mass gain of the curve, under thermal cycling conditions.A model for the interdiffusion (IDZ) thickness evolution was proposed as a function of the loading parameters. The phase transformation in the coating was modeled using a mass balance condition for the aluminum in the coating, including roughness of the surface and oxide scale integrity considerations. This model based on original criteria allowed the estimation of the life time of a coated turbine blade under service conditions.
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Využití kalkulací a rozpočtů pro plánování investic ve stavební firmě / The use of calculations and budgets for investment planning in a construction companyNetík, Michal January 2011 (has links)
The master's thesis is focused on the use of the strategic management accounting tools for investment decision-making in construction industry. It's mostly directed at mutual integration of life time costing and net present value methods. The topic has been solved in two closely connected main parts. The first part deals with the possibilities of both instruments application with the emphasis on construction industry. The second part evaluates a particular construction project with the use of the tools and gives the base for creating an investment recommendation whether to realise the project, or not.
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Mechanisms of Electrical Ageing of Oilimpregnated Paper due to Partial DischargesGhaffarian Niasar, Mohamad January 2015 (has links)
In this thesis, partial discharge (PD) phenomenon in oil-impregnated paper (OIP) is investigated under accelerated electrical stress. The thesis is mainly focused on the characteristic of PD activity and the influence it has on the insulation properties of OIP. PD source was created by introducing an air filled cavity embedded between layers of OIP. PD activity is investigated from the initiation up to final puncture breakdown of the OIP. The time-evolution of number, maximum magnitude and average magnitude of PD is investigated for cavities with different diameter and height. It was found that time to breakdown is shorter if the cavity diameter is larger and cavities with higher depth produce larger PDs. Comparison between PD activity in three cases, i.e. unaged OIP, thermally aged OIP and OIP samples with higher moisture content is performed. In general, it is found that for all cases the number and the maximum magnitude of PD follows a similar trend versus ageing time. During the very beginning of the experiment large discharges occur and they disappear after a short ageing time. Number and maximum magnitude of PD increase with time until reaching a peak value. Finally both parameters decrease with time and puncture breakdown occurs in the sample. Even though PD activity in thermally aged OIP is higher compared to the unaged OIP samples, the time to breakdown for new and thermally aged OIP samples is similar while it is shorter for OIP samples with higher moisture content. In this thesis, partial discharge (PD) phenomenon in oil-impregnated paper (OIP) is investigated under accelerated electrical stress. The thesis is mainly focused on the characteristic of PD activity and the influence it has on the insulation properties of OIP. PD source was created by introducing an air filled cavity embedded between layers of OIP. PD activity is investigated from the initiation up to final puncture breakdown of the OIP. The time-evolution of number, maximum magnitude and average magnitude of PD is investigated for cavities with different diameter and height. It was found that time to breakdown is shorter if the cavity diameter is larger and cavities with higher depth produce larger PDs. Comparison between PD activity in three cases, i.e. unaged OIP, thermally aged OIP and OIP samples with higher moisture content is performed. In general, it is found that for all cases the number and the maximum magnitude of PD follows a similar trend versus ageing time. During the very beginning of the experiment large discharges occur and they disappear after a short ageing time. Number and maximum magnitude of PD increase with time until reaching a peak value. Finally both parameters decrease with time and puncture breakdown occurs in the sample. Even though PD activity in thermally aged OIP is higher compared to the unaged OIP samples, the time to breakdown for new and thermally aged OIP samples is similar while it is shorter for OIP samples with higher moisture content. Breakdown strength of OIP samples is measured before and after ageing with PDs. It is found that the breakdown strength of OIP samples decreases by around 40% after the sample is exposed to accelerated electrical ageing. Furthermore a thermal model was developed to investigate the possible transition of breakdown mechanism from erosion to thermal breakdown in OIP dielectrics. It was found that PD activity can lower the thermal breakdown voltage of OIP up to four times. / <p>QC 20150206</p>
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Optical and electrical properties of compound and transition metal doped compound semiconductor nanowiresRamanathan, Sivakumar 11 February 2009 (has links)
Nanotechnology is the science and engineering of creating functional materials by precise control of matter at nanometer (nm) length scale and exploring novel properties at that scale. It is vital to understand the quantum mechanical phenomena manifested at nanometer scale dimensions since that will enable us to precisely engineer quantum mechanical properties to realize novel device functionalities. This dissertation investigates optical and electronic properties of compound and transition metal doped compound semiconductor nanowires with a view to exploiting them for a wide range of applications in semiconductor electronic and optical devices. In this dissertation work, basic concepts of optical and electronic properties at low dimensional structures will be discussed in chapter 1. Chapter 2 discusses the nanofabrication technique employed to fabricate highly ordered nanowires. Using this method, which is based on electrochemical self-assembly techniques, we can fabricate highly ordered and size controlled nanowires and quantum dots of different materials. In Chapter 3, we report size dependent fluorescence spectroscopy of ZnSe and Mn doped ZnSe nanowires fabricated by the above method. The nanowires exhibit blue shift in the emission spectrum due to quantum confinement effect, which increases the effective bandgap of the semiconductor. We found that the fluorescence spectrum of Mn doped ZnSe nanowires shows high luminescence efficiency, which seems to increase with increasing Mn concentration. These results are highly encouraging for applications in multi spectral displays. Chapter 4 investigates field emission results of highly ordered 50 nm tapered ZnO nanowires that were also fabricated by electrochemical self-assembly. Subsequent to fabrication, the nanowires tips are exposed by chemical etching which renders the tips conical in shape. This tapered shape concentrates the electric field lines at the tip of the wires, and that, in turn, increases the emission current density while lowering the threshold field for the onset of field emission. Measurement of the Fowler-Nordheim tunneling current carried out in partial vacuum indicates that the threshold electric field for field emission in 50-nm diameter ZnO nanowires is 15 V/µm. In this study we identified the key constraint that can increase the threshold field and reduce emission current density. In Chapter 5 we report optical and magnetic measurement of Mn-doped ZnO nanowires. Hysterisis measurements carried out at various temperatures show a ferromagnetic behavior with a Curie temperature of ~ 200 K. We also studied Mn-doping of the ZnO nanowires. The room temperature fluorescence spectroscopy of Mn-doped ZnO nanowires shows a red-shift in the spectra compared to the undoped ZnO nanowires possibly due to strain introduced by the dopants in the nanowires. Finally, in Chapter 6, we report our study of the ensemble averaged transverse spin relaxation time (T2*) in InSb thin films and nanowires using electron spin resonance (ESR) measurement. Unfortunately, the nanowires contained too few spins to produce a detectable signal in our apparatus, but the thin films contained enough spins (> 109/cm2) to produce a measurable ESR signal. We found that the T2* decreases rapidly with increasing temperature between 3.5 K and 20 K, which indicates that spin-dephasing is primarily caused by spin-phonon interactions.
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[en] STUDY OF THE STABLE AND METASTABLE (LIF)NLI+ ION EMISSION INDUCED BY 252CF FISSION FRAGMENTS / [pt] ESTUDO DA EMISSÃO DE ÍONS ESTÁVEIS E METAESTÁVEIS (LIF)NLI+ INDUZIDA POR FRAGMENTOS DE FISSÃO DO 252CFRAFAEL MARTINEZ RODRIGUEZ 14 January 2004 (has links)
[pt] Um espectrômetro de massa por tempo-de-vôo 252Cf-PDMS foi
empregado para a realização de três atividades: a) o
aperfeiçoamento do espectrômetro com a instalação de novos
dispositivos; b) a análise da emissão secundária de
agregados iônicos por um alvo de LiF; c) a análise da
fragmentação em vôo de íons positivos (LiF)nLi+
metaestáveis. O aperfeiçoamento do espectrômetro consistiu:
i) na blindagem elétrica do detector start para aumentar a
sua estabilidade; ii) na caracterização de dois
pares de placas defletoras já existentes; iii) na
instalação de um novo tipo de detector sensível à posição
com anodo multi-fios, e iv) no projeto e na instalação
de uma lente Einzel para aumentar a transmissão de íons
secundários entre a amostra e o detector. A emissão
secundária de agregados iônicos por um filme de LiF
policristalino, bombardeado por fragmentos de fissão de ~
60 MeV foi analisada através da técnica tempo-de-vôo (TOF).
O detector sensível à posição recém instalado permite o
emprego da técnica XY-TOF para analisar distribuições
angulares de íons Li e dos agregados (LiF)nLi+.
Determinaram-se as distribuições angulares dos agregados
com n = 0 a 3, através de medidas simultâneas de suas
velocidades axiais e radiais, evento por evento. A vida
media de íons metaestáveis (LiF)nLi+* é determinada fazendo
uso da configuração do espectrômetro e especialmente do
comprimento do tubo de vôo livre. Após serem emitidas, as
espécies iônicas metaestáveis monocarregadas são aceleradas
por um campo elétrico da ordem de 2 kV/mm, e conduzidas a
uma região de campo externo nulo, onde podem se dissociar
espontaneamente em um fragmento iônico e outro neutro. Para
facilitar a analise dos dados, impede-se a detecção do
fragmento iônico através de um filtro eletrostático. Foram
analisados os agregados iônicos com n = 1 a 5. Encontrouse
que os valores das vidas medias estão na faixa de 30 a 100
ns. Discute-se também a detecção de espécies neutras
produzidas por colisão de agregados (LiF)nLi+ com moléculas
de gás residual. / [en] A 252Cf-PDMS time-of-flight mass spectrometer was used for
the accomplishment of three activities: a) improvement of
the spectrometer by introducing new devices; b) analysis of
the LiF cluster ion secondary emission; c) analysis of the
(LiF)nLi+ metastable íon fragmentation, in flight.
The spectrometer improvement consists of: i) the shielding
of the start detector to increase its stability, ii) the
characterization of two existing deflecting- plate pairs,
iii) the installation of a new type of position-sensitive
delay line detector for secundary ions, and iv) the project
and manufacture of a Einzel lens to increase the
transmission of the secondary íons between the
sample and the detector. The secondary cluster ion emission
of policrystalline LiF, induced by the impact of fission
fragments (60 MeV), is analyzed by the time-of-flight
technique (TOF). The new position sensitive delay-line
detector allows the use of the XY-TOF technique to analyze
angular distributions of Li ions and (LiF)nLi+ clusters.
Event by event, their axial and radial velocities are
measured simultaneously, allowing the angular distributions
measurement of clusters with n = 0 to 3. Mean lives of
metastable clusters are determined through the measurement
of the detection rate dependence on the target bias. After
been emitted, the monocharged metatable ions are acelerated
by a 2 kV/mm electric field towards a field-free region,
where they can spontaneously dissociateinto two fragments,
one ion and another neutral. To facilitate the data
analysis, it is avoided the detection of ionic fragments by
placing an electrostatic filter in front of the
detector. Mean lives values of 30 to 100 ns are determined
for ionic clusters with n = 1 to 5. The production of
neutral species by collision of the (LiF)nLi+ clusters
with the gas molecules is also discussed.
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Multi-Photon Interactions with a Time StructureBaev, Alexander January 2003 (has links)
The present thesis concerns aspects of the interaction ofmatter in gas, liquid and solid phases, with electromagneticradiation, ranging from the optical to the X-ray region. Overthe last decade the availability of ultrashort strong laserpulses as well as of high power synchrotron sources of tunableX-ray radiation has stimulated a rapid development of newexperimental techniques which makes it possible to analysedifferent physical, chemical and biological processes inunprecedented detail. All of this urges a concomitantdevelopment of adequate theoretical language and methodscombined with simulation techniques. The first part of the thesis addresses nonlinear propagationof strong optical pulses. This study is motivated by thebreakthrough in synthesis of novel organic materials possessingprespecified nonlinear optical properties and which has led toa multitude of potential applications such as, for example, 3Dimaging and data storage, optical limiting and photodynamiccancer therapy. In order to clarify the underlying physics, astrict solution has been derived of the density matrixequations of a material aiming at an explicit treatment of itsnonlinear polarization without addressing a conventional Taylorexpansion over field amplitudes. Such a formalism is developedfor many-level molecules, allowing to solve the coupledMaxwell's and density matrix equations for the propagation of afew interacting laser pulses through a nonlinear molecularmedium. The theory presented is capable to account formulti-photon processes of an arbitrary order and for differentsaturation effects. The theory is applied to simulations oftwo- and three-photon absorption as well as to upconvertedstimulated emission of organic molecules in solvents. The second part of the thesis is devoted to resonant X-rayRaman scattering from free molecules, solutions and polymerfilms. The temporal analysis of the spectral profiles isperformed using the technique of scattering duration whichallows to select physical processes with different time scales.The slowing-down/speeding-up of the scattering by frequencydetuning provides insight in the formation of the differentparts of the scattering profile like atomic and molecularbands, resonant and vertical scattering channels, anomalousenhancement of the Stokes doubling effect. The lifetimevibrational interference (LVI), playing a crucial role inresonant scattering, is found to strongly influence thedispersion of the Auger resonances of polymers in agreementwith experiment. An almost complete quenching of the scatteringcross section by LVI is observed for the N2molecule. It is found that the interferenceelimination of the scattering amplitude gives valuableinformation on molecular geometry. The electron Doppler effectis minutely studied making use of a wave packet technique. Thesimulations show an "interference burning" of a narrow hole onthe top of the Doppler broadened profile of the Auger spectraof molecular oxygen. For the SF6molecule the Auger Doppler effect is found to besensitive to the detuning due to the scattering anisotropy. Inall of these studies the temporal language was foundconstructive and enormously helpful for understanding theunderlying physical processes. Most theoretical predictionsmade have been verified by experiments.
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