Dissertations / Theses on the topic 'Computational Plasma Physics'

This thesis will discuss the fundamental process of high temperature plasma formation, consisting of the Townsend avalanche phase and the subsequent plasma burn-through phase. By means of the applied electric field, the gas is partially ionized by the avalanche process. In order for the electron temperature to increase, the remaining neutrals need to be fully ionized in the plasma burn-through phase, as radiation is the main contribution to the electron power loss. The radiated power loss can be significantly affected by impurities resulting from interaction with the plasma facing components. The parallel transport to the surrounding walls is determined by the so called connection length in the plasma. Previously, plasma burn-through was simulated with the assumptions of constant particle confinement time and impurity fraction. In the new plasma burn-through simulator, called the DYON code, the treatment of particle confinement time is improved with a transonic ambipolar model for parallel transport, by using the effective connection length determined by the magnetic field lines, and Bohm diffusion model for perpendicular transport. In addition, the dynamic evolution of impurity content is calculated in a self-consistent way, using plasma wall interaction models. The recycling of the particles at the walls is also modelled. For a specific application, the recent installation of a beryllium wall at Joint European Torus (JET) enabled to investigate the effects of plasma facing components on plasma formation and build-up of plasma current in the device. According to the JET experiments the Townsend avalanche phase was not influenced by the replacement of the wall material. However, failures during the plasma burn-through phase, that could occur with a carbon wall, are not observed with a beryllium wall. In order to obtain a deeper insight in these effects this thesis will present detailed modelling of plasma burn-through. For the first time a quantitative validation of the simulation results to experimental data is documented. The simulation results with the DYON code show consistent good agreement against JET data obtained with the carbon wall as well as the beryllium wall. According to the DYON results, the radiation barrier in a carbon wall is dominated by the carbon radiation. The radiation barrier in the beryllium wall is mainly from the deuterium radiation rather than the beryllium radiation, as far as the radiated power from other impurities (i.e. carbon, nitrogen, etc) is not significant. These issues are of crucial importance for the International Thermonuclear Experimental Reactor (ITER) where the allowable toroidal electric field for plasma formation is limited to 0.35 V/m, which is significantly lower compared to the typical loop voltage ( 1 V/m) used in the current devices. Using the validated DYON code, predictive simulations for ITER are given, showing a need for RF heating to allow reliable plasma burn-through.

Plasma turbulence associated with the creation of an artificial dust layer in the earth's ionosphere is investigated. The Charged Aerosol Release Experiment (CARE) aims to understand the mechanisms for enhanced radar scatter from plasma irregularities embedded in dusty plasmas in space. Plasma irregularities embedded in a artificial dusty plasma in space may shed light on understanding the mechanism for enhanced radar scatter in Noctilucent Clouds (NLCs) and Polar Mesospheric Summer Echoes (PMSEs) in the earth's mesosphere. Artificially created, charged-particulate layers also have strong impact on radar scatter as well as radio signal propagation in communication and surveillance systems. The sounding rocket experiment was designed to develop theories of radar scatter from artificially created plasma turbulence in charged dust particle environment. Understanding plasma irregularities embedded in a artificial dusty plasma in space will also contribute to addressing possible effects of combustion products in rocket/space shuttle exhaust in the ionosphere. In dusty space plasmas, plasma irregularities and instabilities can be generated during active dust aerosol release experiments. Small scale irregularities (several tens of centimeter to meters) and low frequency waves (in the ion/dust scale time in the order of second) are studied in this work, which can be measured by High Frequency (HF), Very High Frequency (VHF) and Ultra High Frequency (UHF) radars. The existence of dust aerosol particles makes computational modeling of plasma irregularities extremely challenging not only because of multiple spatial and temporal scale issue but also due to complexity of dust aerosol particles. This work will provide theoretical and computational models to study plasma irregularities driven by dust aerosol release for the purpose of designing future experiments with combined ground radar, optical and in-situ measurement. In accordance with linear analysis, feasible hybrid computational models are developed to study nonlinear evolution of plasma instabilities in artificially created dusty space plasmas. First of all, the ion acoustic (IA) instability and dust acoustic (DA) instability in homogenous unmagnetized plasmas are investigated by a computational model using a Boltzmann electron assumption. Such acoustic-type instabilities are attributed to the charged dust and ion streaming along the geomagnetic field. Secondly, in a homogenous magnetized dusty plasma, lower-hybrid (LH) streaming instability will be generated by dust streaming perpendicular to the background geomagnetic field. The magnetic field effect on lower-hybrid streaming instabilities is investigated by including the ratio of electron plasma frequency and electron gyro frequency in this model. The instability in weakly magnetized circumstances agree well with that for the ion acoustic (IA) instability by a Boltzmann model. Finally, in an inhomogeneous unmagnetized/magnetized dust boundary layer, possible instabilities will be addressed, including dust acoustic (DA) wave due to flow along the boundary and lower-hybrid (LH) sheared instability due to flow cross the boundary. With applications to active rocket experiments, plasma irregularity features in a linear/nonlinear saturated stage are characterized and predicted. Important parameters of the dust aerosol clouds that impact the evolution of waves will be also discussed for upcoming dust payload generator design. These computational models, with the advantage of following nonlinear wave-particle interaction, could be used for space dusty plasmas as well as laboratory dusty plasmas.
Ph. D.

An artificially structured boundary (ASB) produces a short-range, static electromagnetic field that can reflect charged particles. In the work presented, an ASB is considered to consist of a spatially periodic arrangement of electrostatically plugged magnetic cusps. When used to create an enclosed volume, an ASB may confine a non-neutral plasma that is effectively free of applied electromagnetic fields, provided the spatial period of the ASB-applied field is much smaller than any one dimension of the confinement volume. As envisioned, a non-neutral positron plasma could be confined by an ASB along its edge, and the space-charge of the positron plasma would serve to confine an antiproton plasma. If the conditions of the two-species plasma are suitable, production of antihydrogen via three-body recombination for antimatter gravity studies may be possible. A classical trajectory Monte Carlo (CTMC) simulation suite has been developed in C++ to efficiently simulate charged particle interactions with user defined electromagnetic fields. The code has been used to explore several ASB configurations, and a concept for a cylindrically symmetric ASB trap that employs a picket-fence magnetic field has been developed. Particle-in-cell (PIC) modeling has been utilized to investigate the confinement of non-neutral and partially neutralized positron plasmas in the trap.

Turbulence in the ionosphere is important to understand because it can negatively affect communication signals. This work examines different scenarios in the ionosphere in which turbulence may develop. The two main causes of turbulence considered in this work are the gradient drift instability (GDI) and the Kelvin-Helmholtz instability (KHI). The likelihood of the development of the GDI during the August 17, 2017 total solar eclipse is studied numerically. This analysis uses the ``Sami3 is Also a Model of the Ionosphere" (SAMI3) model to study the effect of the eclipse on the plasma density. The calculated GDI growth rates are small compared to how quickly the eclipse moves over the Earth. Therefore, the GDI is not expected to occur during the solar eclipse. A novel 2D electrostatic pseudo-spectral fluid model is developed to study the growth of these two instabilities and the problem of ionospheric turbulence in general. To focus on the ionospheric turbulence, a set of perturbed governing equations are derived. The model accurately captures the GDI growth rate in different limits; it is also benchmarked to the evolution of instability development in different collisional regimes of a plasma cloud. The newly developed model is used to study if the GDI is the cause of density irregularities observed in subauroral polarization streams (SAPS). Data from Global Positioning System (GPS) scintillations and the Super Dual Auroral Radar Network (SuperDARN) are used to examine the latitudinal density and velocity profiles of SAPS. It is found that the GDI is stabilized by velocity shear and therefore will only generate density irregularities in regions of low velocity shear. Furthermore, the density irregularities cannot extend through regions of large velocity shear. In certain cases, the turbulence cascade power laws match observation and theory. The transition between the KHI and the GDI is studied by understanding the effect of collisions. In low collisionality regimes, the KHI is the dominant instability. In high collisionality regimes, the GDI is the dominant instability. Using nominal ionospheric parameters, a prediction is provided that suggests that there exists an altitude in the upper textit{F} region ionosphere above which the turbulence is dominated by the KHI.
Doctor of Philosophy
In the modern day, all wireless communication signals use electromagnetic waves that propagate through the atmosphere. In the upper atmosphere, there exists a region called the ionosphere, which consists of plasma (a mixture of ions, electrons, and neutral particles). Because ions and electrons are charged particles, they interact with the electromagnetic communication signals. A better understanding of ionospheric turbulence will allow for aid in forecasting space weather as well as improve future communication equipment. Communication signals become distorted as they pass through turbulent regions of the ionosphere, which negatively affects the signal quality at the receiving end. For a tangible example, when Global Positioning System (GPS) signals pass through turbulent regions of the ionosphere, the resulting position estimate becomes worse. This work looks at two specific causes of ionospheric turbulence: the gradient drift instability (GDI) and the Kelvin-Helmholtz instability (KHI). Under the correct background conditions, these instabilities have the ability to generate ionospheric turbulence. To learn more about the GDI and the KHI, a novel simulation model is developed. The model uses a method of splitting the equations such that the focus is on just the development of the turbulence while considering spatially constant realistic background conditions. The model is shown to accurately represent results from previously studied problems in the ionosphere. This model is applied to an ionospheric phenomenon known as subauroral polarization streams (SAPS) to study the development of the GDI and the KHI. SAPS are regions of the ionosphere with large westward velocity that changes with latitude. The shape of the latitudinal velocity profile depends on many other factors in the ionosphere such as the geomagnetic conditions. It is found that for certain profiles, the GDI will form in SAPS with some of these examples matching observational data. At higher altitudes, the model predicts that the KHI will form instead. While the model is applied to just the development of the GDI and the KHI in this work, it is written in a general manner such that other causes of ionospheric turbulence can be easily studied in the future.

Molecular dynamics (MD) simulations are used to compute the equilibrium dynamics of a single component fluid with Yukawa interaction potential v(r) = (Ze)^2 exp(−r/λs )/4π eps_0 r. This system, which is known as the Yukawa one-component plasma (YOCP), represents a simplified description of a non-ideal plasma consisting of ions, charge Ze, and electrons. For finite screening lengths λs, the MD results are used to investigate the domain of validity of the hydrodynamic description, i.e., the description given by the Navier-Stokes equations. The way in which this domain depends on the thermodynamic conditions of the YOCP, as well as the strength and range of the interactions, is determined. Remarkably, it is found that the domain of validity is completely determined by the range of the interactions (i.e., λs); this alone determines the maximum wave number k_max at which the hydrodynamic description is applicable. The dynamics of the YOCP at wavevectors beyond k_max are then investigated; these are shown to be in striking agreement with a simple and well known generalisation of the Navier-Stokes equations. In the extreme case of the Coulomb interaction potential (λs = ∞), the very existence of a hydrodynamic description is a known but unsolved problem [Baus & Hansen, 1980]. For this important special case, known as the one-component plasma (OCP), it is shown that the ordinary hydrodynamic description is never valid. Since the OCP is the prototypical system representing a non-ideal plasma, a number of different approaches for modelling its dynamics have been formulated previously. By computing the relevant quantities with MD, the applicability of a number of models proposed in the literature is examined for the first time.

Dans cette thèse nous avons montré que l'on peut on peut synthétiser des nanocristaux de silicium en utilisant des plasmas pulsés de silane dilué dans l'hydrogène. Dans nos conditions de dépôt, en changeant le temps de croissance entre 100 msec et 1 seconde, nous avons pu contrôler la taille des nanocristaux (de 4 nm à 12 nm). A partir de la mesure de la taille des nanocristaux sur les images MET, nous avons pu calculer la vitesse de croissance radiale. Cette vitesse est proportionnelle à la pression partielle de silane dans le mélange gazeux. Nous avons également montré le rôle important de l'hydrogène atomique pour le processus de cristallisation des nanoparticules dans le plasma. La maîtrise de la synthèse des nanocristaux de silicium ouvre la voie à deux champs d'applications : (i) la fabrication de diodes électroluminescences et (ii) la réalisation de transistors à un électron. Pour la première application, une étude préalable de photoluminescence a montré un déplacement vers le bleu du pic de photoluminescence lorsque la taille des nanocristaux diminue. Cela est interprété à la fois comme un effet de confinement quantique et de passivation de la surface des nanocristaux par une coquille de SiOx. Nous avons également élaboré des diodes électroluminescence PIN basées sur les nanocristaux de silicium. Après une optimisation de la structure PIN et des conditions de dépôt de la couche intrinsèque, nous avons obtenu une électroluminescence dans la gamme infrarouge-visible à température ambiante. En vue de l'application aux transistors, nous avons fait des expériences préalables d'injection de charge dans les nanocristaux par AFM/KFM. L'observation qualitative des charges injectées a été réalisée. L'estimation quantitative de ces charges ainsi que l'étude de charges résiduelles dans des nanocristaux dopés est un domaine qui mérite d'être exploré dans l'avenir.

A numerical model was developed to understand the time evolution of a wake structure around a CubeSat moving in a plasma with transonic speed. A cubeSat operates in the F2 layer of ionosphere with an altitude of 300 − 600 Km. The average plasma density varies between 10−6cm−3 − 10−9cm−3 and the temperature of ions and electrons is found between 0.1−0.2 eV. The study of a wake structure can provide insights for its effects on the measurements obtained from space instruments. The CubeSat is modeled to have a metal surface, which is a realistic assumption, with a negative electric potential. To solve the equations of plasma, the numerical difference equations were obtained by discretizing the fluid equations of the plasma along with nonlinear Poisson’s equation. The electrons were assumed to follow the Boltzmann’s relation and the dynamics of ions was followed using the fluid equations. The initial and boundary conditions for the evolution of the structure are discussed. The computation was compared to the analytical solution for a 1D problem before being applied to the 2D model. There was a good agreement between the numerical and analytical solution. In the 2D simulation, we observe the formation of plasma wake structure around the CubeSat. The plasma wake structure consists of rarefaction region where ion density and ion velocity decreases compared to the initial density and velocity.

Le confinement magnétique dans les tokamaks est à l'heure actuelle la voie la plus avancée pour produire de l'énergie par fusion thermonucléaire. Des études théoriques et expérimentales ont montré que la génération de rotation permet d'en augmenter les performances par la réduction du transport turbulent à l'œuvre dans les plasmas de tokamaks. L'influence de la rotation sur les flux turbulents de chaleur et de particules ainsi que le transport du moment angulaire sont étudiés par simulation numérique dans le cadre du code gyro-cinétique, quasi-linéaire QuaLiKiz. A cette occasion, le code QuaLiKiz est modifié pour prendre en compte la rotation du plasma et calculer le flux de moment angulaire. Il est montré que le cadre de travail de QuaLiKiz permet de calculer le flux de moment angulaire y compris le stress résiduel induit par le cisaillement du champ électrique radial ainsi que l'effet de la rotation sur les flux de chaleur et de particules. Les approximations majeures du formalisme utilisé, en particulier la représentation de ballonnement à son ordre le plus bas et l'utilisation de fonctions propres analytiques calculées dans la limite hydrodynamiques, sont analysées en détail et leur validité vérifiée. La construction des flux quasi-linéaires est ensuite détaillée et le flux quasi-linéaire de moment angulaire dérivé. Les différentes contributions au flux turbulent de moment angulaire sont étudiées et comparées avec succès à la fois aux données de simulations gyro-cinétiques non-linéaires ainsi qu'aux données expérimentales.

Trois processus qui ont lieu dans un réacteur à plasma ont été étudiés au moyen de simulations de dynamique moléculaire: le chauffage et la fusion des agrégats de silicium hydrogéné par des réactions avec l'hydrogène atomique, la guérison induite par l'hydrogène des surfaces de silicium auparavant endommagées par l'impact violent d'agrégats, et la croissance épitaxiale des couches minces catalysée par des agrégats de silicium hydrogéné. Deux agrégats de silicium hydrogéné qui représentent des structures amorphes et cristallines sont choisis pour être exposés à l'hydrogène atomique comme dans un réacteur à plasma réaliste. Nous avons étudié quantitativement comment les agrégats chauffent et fondent par des réactions avec des atomes d'hydrogène. Une surface de silicium qui a été partiellement endommagée par l'impact violent d'un agrégat a été traitée par des atomes d'hydrogène. Nous avons observé que la surface du silicium mal définie est réarrangée à sa structure cristalline initiale après l'exposition à l'hydrogène atomique ; à savoir, en raison de la dynamique de réaction de surface avec des atomes d'hydrogène, les atomes de silicium de l'agrégat de silicium hydrogéné sont positionnés dans une structure épitaxiale de la surface. Ensuite, nous avons effectué une étude approfondie sur la dynamique du dépôt des agrégats de silicium hydrogéné sur un substrat de silicium cristallin en contrôlant les paramètres régissant le dépôt d'agrégat sur la surface. Nous avons trouvé que la croissance épitaxiale de couches minces de silicium peut être obtenue à partir de dépôts d'agrégats si les énergies d'impact sont suffisamment élevées pour que les atomes de l'agrégat et des atomes de la surface touchant l'agrégat subissent une transition de phase à l'état liquide avant d'être recristallisés dans un ordre épitaxial. Ce processus est d'une importance cruciale pour améliorer la croissance épitaxiale à grande vitesse des couches minces de silicium à basse température en utilisant la technique PECVD (" Plasma Enhanced Chemical Vapor Deposition ") pour des applications industrielles.

A numerical simulation case involving space plasma and the evolution of instabilities that generates very fast electrons, i.e. approximately at half of the speed of light, is used as a test bed for scientific visualisation techniques. A visualisation system was developed to provide interactive real-time animation and visualisation of the simulation results. The work focuses on two themes and the integration of them. The first theme is the storage and management of the large data sets produced. The second theme deals with how the Visualisation System and Visual Objects are tailored to efficiently visualise the data at hand.

The integration of the themes has resulted in an interactive real-time animation and visualisation system which constitutes a very powerful tool for analysis and understanding of the plasma physics processes. The visualisations contained in this work have spawned many new possible research projects and provided insight into previously not fully understood plasma physics phenomena.

A numerical model for inductive plasma wind tunnels is developed. This model provides the flow conditions at the edge of a boundary layer in front of a thermal protection material placed in the plasma jet stream at the outlet of an inductive torch. The governing equations for the hydrodynamic field are derided from the kinetic theory. The electromagnetic field is deduced from the Maxwell equations. The transport properties of partially ionized and unmagnetized plasma in weak thermal nonequilibrium are derived from the Boltzmann equation. A kinetic data base of transport collision integrals is given for the Martian atmosphere. Multicomponent transport algorithms based upon Krylov subspaces are compared to mixture rules in terms of accuracy and computational cost. The composition and thermodynamic properties in local thermodynamic

equilibrium are computed from the semi-classical statistical mechanics.

The electromagnetic and hydrodynamic fields of an inductive wind tunnel is presented. A total pressure measurement technique is thoroughly investigated by means of numerical simulations.

Doctorat en sciences appliquées
info:eu-repo/semantics/nonPublished

This thesis explores the potential of emerging hardware architectures to increase the impact of high performance computing in fusion plasma physics research. For next generation tokamaks like ITER, realistic simulations and data-processing tasks will become significantly more demanding of computational resources than current facilities. It is therefore essential to investigate how emerging hardware such as the graphics processing unit (GPU) and field-programmable gate array (FPGA) can provide the required computing power for large data-processing tasks and large scale simulations in plasma physics specific computations. The use of emerging technology is investigated in three areas relevant to nuclear fusion: (i) a GPU is used to process the large amount of raw data produced by the synthetic aperture microwave imaging (SAMI) plasma diagnostic, (ii) the use of a GPU to accelerate the solution of the Bateman equations which model the evolution of nuclide number densities when subjected to neutron irradiation in tokamaks, and (iii) an FPGA-based dataflow engine is applied to compute massive matrix multiplications, a feature of many computational problems in fusion and more generally in scientific computing. The GPU data processing code for SAMI provides a 60x acceleration over the previous IDL-based code, enabling inter-shot analysis in future campaigns and the data-mining (and therefore analysis) of stored raw data from previous MAST campaigns. The feasibility of porting the whole Bateman solver to a GPU system is demonstrated and verified against the industry standard FISPACT code. Finally a dataflow approach to matrix multiplication is shown to provide a substantial acceleration compared to CPU-based approaches and, whilst not performing as well as a GPU for this particular problem, is shown to be much more energy efficient. Emerging hardware technologies will no doubt continue to provide a positive contribution in terms of performance to many areas of fusion research and several exciting new developments are on the horizon with tighter integration of GPUs and FPGAs with their host central processor units. This should not only improve performance and reduce data transfer bottlenecks, but also allow more user-friendly programming tools to be developed. All of this has implications for ITER and beyond where emerging hardware technologies will no doubt provide the key to delivering the computing power required to handle the large amounts of data and more realistic simulations demanded by these complex systems.

This thesis describes the development of electronic modules for fusion neutron spectroscopy as well as several implementations of artificial neural networks (NN) for neutron diagnostics for the Joint European Torus (JET) experimental reactor in England. The electronics projects include the development of two fast light pulser modules based on Light Emitting Diodes (LEDs) for the calibration and stability monitoring of two neutron spectrometers (MPRu and TOFOR) at JET. The particular electronic implementation of the pulsers allowed for operation of the LEDs in the nanosecond time scale, which is typically not well accessible with simpler circuits. Another electronic project consisted of the the development and implementation at JET of 32 high frequency analog signal amplifiers for MPRu. The circuit board layout adopted and the choice of components permitted to achieve bandwidth above 0.5 GHz and low distortion for a wide range of input signals. The successful and continued use of all electronic modules since 2005 until the present day is an indication of their good performance and reliability. The NN applications include pulse shape discrimination (PSD), deconvolution of experimental data and tomographic reconstruction of neutron emissivity profiles for JET. The first study showed that NN can perform neutron/gamma PSD in liquid scintillators significantly better than other conventional techniques, especially for low deposited energy in the detector. The second study demonstrated that NN can be used for statistically efficient deconvolution of neutron energy spectra, with and without parametric neutron spectroscopic models, especially in the region of low counts in the data. The work on tomography provided a simple but effective parametric model for describing neutron emissivity at JET. This was then successfully implemented with NN for fast and automatic tomographic reconstruction of the JET camera data. The fast execution time of NN, i.e. usually in the microsecond time scale, makes the NN applications presented here suitable for real-time data analysis and typically orders of magnitudes faster than other commonly used codes. The results and numerical methods described in this thesis can be applied to other diagnostic instruments and are of relevance for future fusion reactors such as ITER, currently under construction in Cadarache, France.

L'effet des fluctuations de vitesse sur le seuil de la dynamo, de l'induction magnétique, et ainsi que des effets non linéaires présents dans le régime de saturation sont étudiés avec une sélection de huit articles. Ces thèmes ont été abordés à travers des simulations numériques dans un domaine périodique tri-dimensionnel. Des simulations numériques directes (DNS) et des méthodes de modélisation sous maille (LES) de la turbulence, ont permis de mettre en évidence l'effet des fluctuation sur le seuil et de nombreux modes de dynamo engendrés dans des écoulements entretenus par différents forçages (Taylor-Green, ABC et G.O. Robert). Dans ces systèmes MHD pendant la phase de saturation, des effets non-linéaires apparaissent, comme des bifurcations sous critiques associées à des cycles d'hystérésis, ainsi qu'un comportement de turbulence intermittente On-Off. Une discussion et des perspectives sur ces thèmes sont présentées, ainsi qu'une annexe sur les méthodes numériques et les diagnostiques ayant été utilisés dans ces travaux.

Surface plasmon polaritons are non radiative modes which exist at the interface between a dielectric and a metal. They can confine light at sub-wavelength scales. However, their propagation is restricted by the intrinsic losses of the metal which imply a rapid absorption of the mode. The aim of this thesis is the study of the coupling of surface plasmons in metallo-dielectric planar structures. Obtaining the properties of the modes implies the extension of the solutions to the complex plane of propagation constants. The method used consists in determining the poles of the scattering matrix by means of Cauchy's integrals. The first solution to solve the problem of propagation of the surface plasmons consists in coupling these modes to one another. In a symmetric medium, when the thickness of the metallic film becomes thin enough, the coupling between the plasmon modes which exist on each side becomes possible. One of the coupled modes which is created, the so-called long range surface plasmon, has a bigger propagation length than the usual plasmon whereas the other coupled mode, named short range surface plasmon, has a smaller propagation length. We present a configuration which allows the excitation of the long range surface plasmon without the short range mode with a metallic layer deposited on a perfect electric conductor substrate. This excitation can be done in air and allows applications, such as the detection and the characterisation of molecules. Then, we present the coupling between dielectric waveguides, and, in particular, the coupled-mode theory in the case of the transverse magnetic polarisation. We consider also the case of PT symmetric structure. The last part of this work presents the demonstration of the strong coupling regime between a surface plasmon and a guided mode. We demonstrate an increase of the propagation length of the hybrid surface plasmon, which still has the confinement of a surface mode. A linear gain is added in the different layers of the structure. When the gain is added in the layer between both coupled modes allows an enhancement of the propagation lengths of the modes, and more precisely of the hybrid surface plasmon mode, which can propagate at the millimeter scale.

In this dissertation, different approaches have been employed to address the quest of understanding the formation and growth mechanisms of carbon-containing molecular ions with relevance to astrochemistry. Ion mobility mass spectrometry and DFT computations were used to investigate how a second nitrogen in the pyrimidine ring will affect the formation of a covalent bond between the benzene radical cation and the neutral pyrimidine molecule, after it was shown that a stable covalent adduct can be formed between benzene radical cation and the neutral pyridine. Evidence for the formation of a more stable covalent adduct between the benzene radical cation and the pyrimidine is reported here. The effect of substituents on substituted-benzene cations on their solvation by an HCN solvent was also investigated using ion mobility mass spectrometry and DFT computations were also investigated. We looked at the effect of the presence of electron-withdrawing substituents in fluorobenzene, 1,4 di- fluorobenzene, and benzonitrile on their solvation by up to four HCN ligands, and compared it to previous work done to determine the solvation chemistry of benzene and phenylacetylene by HCN. We report here the observed increase in the binding of the HCN molecule to the aromatic ring as the electronegativity of the substituent increased. We also show in this dissertation, DFT calculations that reveal the formation of both hydrogen-bonded and electrostatic isomers, of similar energies for each addition to the ions respectively. The catalytic activity of the 1st and 2nd row TM ions towards the polymerization of acetylene done using the reflectron time of flight mass spectrometry and DFT calculations is also reported in this dissertation. We explain the variation in the observed trend in C-H/C-C activity of these ions. We also report the formation of carbide complexes by Zr+, Nb+, and Mo+, with the acetylene ligands, and show the thermodynamic considerations that influence the formation of these dehydrogenated ion-ligand complexes. Finally, we show in this dissertation, a novel ionization technique that we employed to generate ions that could be relevant to the interstellar and circumstellar media using the reflectron time of flight mass spectrometry.

In the aerospace industry, gas discharges have gained importance with the exploration of their performance and capabilities for flow control and combustion. Tunable properties of plasma make gas discharges efficient tools for various purposes. Since the scales of plasma and the available technology limit the knowledge gained from experimental studies, computational studies are essential to understand the results of experimental studies. The temporal and spatial scales of plasma also restrict the numerical studies. It is a necessity to use an idealized model, in which enough physics is captured, while the computational costs are acceptable.

In this work, numerical simulations of different low-pressure gas discharges are presented with a detailed analysis of the numerical approach. A one moment model is employed for DC glow discharges and nanosecond-pulse discharges. The cheap-est method regarding the modeling and simulation costs is chosen by checking the requirements of the fundamental processes of gas discharges. The verification of one-moment 1-D glow discharges with constant electron temperature variation is achieved by comparing other computational results.

The one moment model for pulse discharge simulation aims to capture the information from the experimental data for low-pressure argon discharges. Since the constant temperature assumption is crude, the local field approximation is investigated to obtain the data for electron temperature. It was observed that experimental data and computational data do not match because of the stagnant decay of electron number densities and temperatures. At the suggestion of the experimental group, water vapor was added as an impurity to the plasma chemistry. Although there was an improvement with the addition of water vapor, the results were still not in good agreement with experiment.

The applicability of the local field approximation was investigated, and non-local effects were included in the context of an averaged energy equation. A 0-D electron temperature equation was employed with the collision frequencies obtained from the local field approximation. It was observed that the shape of the decay profiles matched with the experimental data. The number densities; however, are less almost an order of magnitude.

As a final step, the two-moment model, one-moment model plus thermal electron energy equation, was solved to involve non-local effects. The two-moment model allows capturing of non-local effects and improves agreement with the experimental data. Overall, it was observed that non-local regions dominate low-pressure pulsed discharges. The local field approximation is not adequate to solve these types of discharges.

The first major step has been completed in a long range project to merge the Fedder-Lyon Global 3D magnetohydrodynamic code and the Rice Convection Model (RCM) of the Earth's magnetosphere. Using MHD results as initial and boundary conditions, RCM runs were carried out for three different values of the energy invariant $\lambda$ of the plasma-sheet ions: $\lambda$ = negligibly small as in ideal MHD, $\lambda$ estimated from global MHD results, and $\lambda$ estimated from observations. In the first two runs, the RCM produced thin, well-defined patterns of region-2 magnetic-field-aligned currents shielding the inner magnetosphere from the convection electric field. These results differed substantially from the MHD result, indicating inaccuracy in the MHD code's numerical method when applied to the inner magnetosphere. The third run produced weak shielding and non-classic current patterns, which provide insight into the effect of plasma-sheet temperature on shielding.

Multiple industry applications, including combustion, flow control, and medicine, have leveraged nanosecond pulsed plasma (NPP) discharges to create plasma generated reactive species (PGRS). The PGRS are essential to induce plasma-assisted mechanisms, but the rate of generation and permanence of these species remains complex. Many of the mechanisms surrounding plasma discharge have been discovered through experiments, but a consistent challenge of time scales limits the plasma measurements. Thus, a well-constructed model with experimental research will help elucidate complex plasma physics. The motivation of this work is to construct a feasible physical model within the additional numerical times scale limitations and computational resources. This thesis summarizes the development of a one-moment fluid model for NPP discharges, which are applied due to their efficacy in generating ionized and excited species from vacuum to atmospheric pressure.

From a pulsed power perspective, the influence of pulse parameters, such as electric field intensity, pulse shape and repetition rate, are critical; however, the effects of these parameters on PGRS remain incompletely characterized. Here, we assess the influence of pulse conditions on the electric field and PGRS computationally by coupling a quasi-one-dimensional model for a parallel plate geometry, with a Boltzmann solver (BOLSIG+) used to improve plasma species characterization. We first consider a low-pressure gas discharge (3 Torr) using a five-species model for argon. We then extend to a 23 species model with a reduced set of reactions for air chemistry remaining at low pressure. The foundations of a single NPP is first discussed to build upon the analysis of repeating pulses. Because many applications use multiple electric pulses (EPs) the need to examine EP parameters is necessary to optimize ionization and PGRS formation.

The major goal of this study is to understand how the delivered EP parameters scale with the generated species in the plasma. Beginning with a similar scaling study done by Paschen we examine the effects of scaling pressure and gap length when the product remains constant for the two models. This then leads to our study on the relationship of pulsed power for different voltages and pulse widths of EPs. By fixing the energy delivered to the gap for a single pulse we determine that the electron and ion number densities both increased with decreasing pulse duration; however, the rate of this increase of number densities appeared to reach a limit for 3 ns. These results suggest the feasibly of achieving comparable outputs using less expensive pulse generators with higher pulse duration and lower peak voltage. Lastly, we study these outcomes when increasing the number of pulses and discuss the effects of pulse repetition and the electron temperature.

Future work will extend this parametric study to different geometries (i.e. pin-to-plate, and pin-to pin) and ultimately incorporate this model into a high-fidelity computational fluid dynamics (CFD) model that may be compared to spectroscopic results under quiescent and flowing conditions will be discussed.

We have investigated the mechanical influence of surfactant physicochemical properties on the progression of a semi-infinite air bubble in a fluid filled rigid capillary. This system mimics the continual interfacial expansion dynamics that occur during the opening of collapsed pulmonary airways. The goal of this study is to ascertain the surfactant physicochemical properties that are responsible for reducing airway reopening pressures that may damage lung epithelial cells. To accomplish this goal, we have developed experimental and computational models of this system The experimental model is used to measure the ability of various surfactants to alter the reopening pressure. The non-physiologic surfactant, SDS, is capable of reducing the interfacial stresses that elevate the reopening pressure, the main component of pulmonary surfactant, L-alpha-dipalmitoyl phosphatidylcholine (DPPC), exhibits large stresses, and the clinically relevant surfactant, Infasurf, reduces the reopening pressure but maintains a surface shear or Marangoni stress. Infasurf's behavior suggests that optimal surfactant properties will reduce the reopening pressures that may damage airway epithelial cells while maintaining the Marangoni stress that enhances airway stability Analysis of the experimental data is based on a modification of previous theoretical models which can not simulate non-equilibrium conditions near the bubble tip. Therefore, we have developed a theoretical model of surfactant effects that is capable of simulating these non-equilibrium dynamics. The coupled governing equations for fluid mechanics, molecular transport, and interfacial dynamics, are solved using a combined boundary element, dual reciprocity boundary element, and finite difference scheme. Scaling of the governing equations yields dimensionless parameters that identify the relative importance of surfactant physicochemical properties Independent parameter variation studies are used to investigate how individual physicochemical properties influence the mechanics of the system. We found that the non-equilibrium adsorption of surfactant can significantly elevate the reopening pressure. In addition, a computational technique that simulates the experimental protocol indicates that Infasurf's sorption properties are at least ten times larger than DPPC As a result of these studies, the surfactant physicochemical properties that influence lung inflation pressures and lung stability have been identified. Knowledge of these properties may be useful in the development and/or administration of novel pulmonary surfactant replacements
acase@tulane.edu

Title: Computational study of probe diagnostics in high-temperature plasma Author: Jan Lachnitt Department: Department of Surface and Plasma Science Supervisor: prof. RNDr. Rudolf Hrach, DrSc., Department of Surface and Plasma Science Abstract: This work is concerned to the particle computer modelling of the interaction of plasma, especially edge plasma, with immersed solids, especially probes. First, the speed and accuracy of several algorithms of the electrostatic force calculation were compared. One of the algorithms has been newly proposed. Then, a two-dimensional model of the interaction of collision-less plasma with a probe was created. This model has been applied to experimental data from CASTOR tokamak. The crucial point of this work is the creation of a fully three-dimensional particle model. This model has been tested for accuracy and speed and has been parallelized for higher efficiency. Keywords: plasma, probe diagnostics, computational physics, particle modelling

Bridging the gap between the classical and quantum regimes has consequences not only for fundamental tests of quantum theory, but for the relation between quantum mechanics and gravity. The field of levito-dynamics provides a promising platform for testing the hypotheses of the works investigating these ideas. By manipulating a macroscopic particle's motion to the scale of its ground state wavefunction, levito-dynamics offers insight into the macroscopic-quantum regime.

Ardent and promising research has brought the field of levito-dynamics to a state in which these tests are available. Recent work has brought a mesoscopic particle's motion to near the ground state. Several factors of decoherence are limiting efficient testing of these fundamental theories which implies the need for alternative strategies for achieving the same goal. This thesis is concerned with investigating alternative methods that may enable a mesoscopic particle to reach the quantum regime. 

In this thesis, three theoretical proposals are studied as a means for a mesoscopic particle to reach the quantum regime as well as a detailed study into one of the most important factors of heating and decoherence for optical trapping. The first study of cooling a particle's motion highlights that the rotational degrees of freedom of a levitated symmetric-top particle leads to large harmonic frequencies compared to the translational motion, offering a more accessible ground state temperature after feedback cooling is applied. An analysis of a recent experiment under similar conditions is compared with the theoretical findings and found to be consistent. 

The second method of cooling takes advantage of the decades long knowledge of atom trapping and cooling. By coupling a spin-polarized, continuously Doppler cooled atomic gas to a magnetic nanoparticle through the dipole-dipole interaction, motional energy is able to be removed from the nanoparticle. Through this method, the particle is able to reach near its quantum ground state provided the atoms are at a temperature below the nanoparticle ground state temperature and the atom number is sufficiently large.
The final investigation presents the dynamics of an optically levitated dielectric disk in a Gaussian standing wave. Though few studies have been performed on disks both theoretically and experimentally, our findings show that the stable couplings between the translational and rotational degrees of freedom offer a possibility for cooling several degrees of freedom simultaneously by actively cooling a single degree freedom.

Title: Modelling of plasma-solid interaction Author: Jan Nožka Department: Institute of Theoretical Physics Supervisor: prof. RNDr. Rudolf Hrach, DrSc., Department of Surface and Plasma Science Abstract: This work is devoted to computer modeling of the low-temperature argon plasma discharge. We created one basic particle model and one basic fluid model. Furthermore, we created a model of electron-electron interaction in three dimensions. This model is able to stabilize nonequilibrium electron gas in the expected equilibrium. This model was developed to investigate the influence of electron-electron scattering on the acceleration of electrons above the speed that is sufficient for excitation or ionization of neutral argon atom. At the end of this work there are results that shed a light on the importance of this interaction in comparison with the amount of fast electrons that are present in the plasma due to electric filed field.

Tesis (Lic. en Física)--Universidad Nacional de Córdoba, Facultad de Matemática, Astronomía, Física y Computación, 2018.
En este trabajo se continuó el estudio numérico de formación de jets por agujeros negros viajandoa altas velocidades con respecto a un campo magnético uniforme comenzado en [1]. El esquema numérico implementado es el utilizado en [2] el cual presenta un esquema numérico 3D para la evolución de las ecuaciones de la electrodinámica force-freealrededor de un agujero negro de Kerr.Tratamos en este trabajo tres situaciones físicas distintas: i) Un agujero negro de Schwarzschild viajando con velocidades ortogonales al campo magnético asintóticamente uniforme. ii) Un agujero negro de Schwarzschild viajando con velocidades no ortogonales al campo magnético asintóticamente uniforme. iii) Un agujero negro de Kerr en la situación de i) donde el eje de rotación del agujero negro puede estar, o no, alineado con el campo magnético asintóticamente uniforme.
This work continues the numerical study of jet formation as result of black holes traveling with fast velocities with respect to a uniform magnetic eld, study that was started in [1]. The numerical scheme implemented is the one used in [2], which presents a novel 3D numerical implementation of the force-free electrodynamics evolution around a Kerr black hole. We study three different physical situations: i) A Schwarzschild black hole traveling with velocities that are orthogonal to the asymptotically uniform magnetic eld. ii) A Schwarzschild black hole traveling with velocities that are not orthogonal to the asymptotically uniform magnetic eld. iii) A Kerr black hole in the i) scenario, where the axis of rotation of the black can be aligned, or not, to the asymptotically uniform magnetic eld.

Tesis (Doctor en Física)--Universidad Nacional de Córdoba. Facultad de Matemática, Astronomía, Física y Computación, 2016.
Esta tesis se constituye en base al abordaje de cuatro problemas físicos, cuyo eje común es la relatividad y la teoría de ecuaciones en derivadas parciales. El primer proyecto corresponde a una exploración numérica de una estabilización alternativa del modelo sigma. El segundo, es un estudio (principalmente) numérico sobre fluidos conformes en el contexto de una conocida dualidad entre gravedad e hidrodinámica. El tercer trabajo consiste en un estudio analítico de la formulación de valores iniciales para ciertas modificaciones no lineales del electromagnetismo. Por último, un proyecto central que gira en torno en a un problema astrofísico: el lanzamiento de jets. Se presenta aquí una implementación numérica novedosa de la electrodinámica force-free alrededor de un agujero negro de Kerr, que permite reproducir algunos resultados centrales del área como la generación de un flujo de Poynting colimado y la extracción de energía mediante una configuración estacionaria. La novedad de la implementación radica en tres elementos: 1) se utiliza una técnica "multi-block". 2) se usan como ecuaciones de evolución, aquellas derivadas de una hiperbolización co-variante del sistema. 3) se incorporan condiciones de contorno estables, que preservan los vínculos y representan apropiadamente la física del problema.
This thesis is built on the approach to four physical problems rooted on general relativity and on the theory of partial differential equations. The first project corresponds to a numerical exploration of an alternative stabilization of the sigma model. The second one, is a numerical study of conformal fluids in the context of the gravity/fluid duality. The third project deals analytically with the initial value formulation of nonlinear electrodynamics. Finally, a central project related to the problem of launching astrophysical jets. We present here a new numerical implementation of force-free electrodynamics around a Kerr black hole, which reproduce standard results regarding jet formation and energy extraction by means of a truly stationary electromagnetic configuration. The novelty of our approach is three-folded: 1) we use the “multi-block” technique. 2) we employ as evolution equations those arising from a covariant hyperbolization of the system. 3) we implement stable and constraint-preserving boundary conditions, which represents an outer region given by a uniform magnetic field aligned with the symmetry axis.

Optical whispering-gallery mode (WGM) cavities, which exhibit extraordinary spatial and temporal confinement of light, are one of the leading transducers for examining molecular recognition at low particle counts. With the advent of hybrid photonic-plasmonic and increasingly sophisticated forms of these resonators, the importance of supporting numerical methods has correspondingly become evident. In response, we adopt a full-vector finite difference approximation in order to solve for WGM's in terms of their field distributions, resonant wavelengths, and quality factors in the context of naturally discontinuous permittivity structure. A segmented Taylor series and alignment/rotation operator are utilized at such singularities in conjunction with arbitrarily spaced grid points. Simulations for microtoroids, with and without dielectric nanobeads, and plasmonic microdisks are demonstrated for short computation times and shown to be in agreement with data in the literature. Constricted surface plasmon polariton (SPP) WGM's are also featured within this document. The module of this thesis is devised as a keystone for composite WGM models that may guide experiments in the field.
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