Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 20 of 20 for “"Kinetic Simulations"”.
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Continuum Kinetic Simulations of Plasma Sheaths and Instabilities
… interactions, sheath physics, and kinetic instabilities through theory and novel numerical simulations. Key contributions of this work include (i) novel continuum kinetic algorithms with novel boundary conditions that directly discretize the Vlasov/Boltzmann equation using the …
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Kinetic Simulations of Spacecraft Charging and Plasma Interactions in the Solar Wind
… resolve the mesothermal velocity ratio, PIC simulations are carried out using the real ion to electron mass ratio. A charging model based on the capacitance matrix method is integrated into the PIC model so the floating potential can be calculated self-consistently with the PIC code from …
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Three-dimensional kinetic simulations of active suspensions: effect of chemotaxis and steric interaction
… active suspensions are analyzed by extending the kinetic model proposed by Saintillan and Shelley [1, 2]. In this model, a conservation equation for the active particle configuration is coupled to the Stokes equation for the flow arising from the force dipole exerted by the particles on the fluid. …
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Emitting Wall Boundary Conditions in Continuum Kinetic Simulations: Unlocking the Effects of Energy-Dependent Material Emission on the Plasma Sheath
… of the fluxes into the wall. Continuum kinetic codes offer significant advantages for the modeling of sheath physics, but the complexity of emission physics makes it difficult to implement accurately. This difficulty results in major simplifications which often neglect important …
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A Continuum Kinetic Investigation into the Role of Transport Physics in the Bohm Speed formulation
… for it have been derived from fluid and kinetic treatment of plasmas. Although these models are widely used, they are only accurate in cases where the thickness of the sheath is negligible when compared to the scale length of the plasma in consideration. These cases are said to satisfy …
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Two-fluid simulations of magnetic reconnection with a kinetic closure for the electron pressure anisotropy
… current layer. Previous fluid models and simulations fail to account for this anisotropy. In this thesis, new equations of state that accurately describe the electron pressure anisotropy in cases of sufficiently strong guide magnetic field are implemented in fluid simulations and are …
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Structure of the electron diffusion region in magnetic reconnection with small guide fields
Observations in the Earth's magnetotail and kinetic simulations of magnetic reconnection have shown high electron pressure anisotropy in the inflow of electron diffusion regions. This anisotropy has been accurately accounted for in a new fluid closure for collisionless reconnection. By tracing …
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Hydrodynamic and ballistic transport in high-mobility GaAs/AlGaAs heterostructures
… The experiments, along with interpretation using kinetic simulations, demarcate hydrodynamic and ballistic regimes and establish the dominant role of electron-electron interactions in the hydrodynamic regime. To further understand the role of electron-electron interactions, we perform nonlocal …
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A Least Squares Closure Approximation for Liquid Crystalline Polymers
… to existing closure schemes for the Doi-Hess kinetic theory of liquid crystalline polymers is provided. A new closure scheme is devised based on a least squares fit of a linear combination of the Doi, Tsuji-Rey, Hinch-Leal I, and Hinch-Leal II closure schemes. The orientation tensor and …
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Diatomic excimer dynamics in microplasma lamps and alkali lasers
… occurs at 852.2 nm. By comparing full quantum simulations of Cs-Xe photoassociation to the gain spectrum of Cs-Xe in the red satellite of the Cs D2 line, it is shown that the structure of weakly bound Cs-Xe molecules (including the dissociation energy), correlated with Cs(62P3/2) + Xe(5p6 1S0) …
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Application of chemical kinetic modeling to improve design and performance criteria for a practical incineration system
In this study, detailed thermo-chemical kinetics with networked ideal reactor model were applied to simulate a practical combustion system -the Secondary Combustion Chamber (SCC) of the Rotary Kiln incineration Simulator (RKIS) at the EPA facility at Research Triangle Park, NC. The networked ideal …
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Sorption-Enhanced Hydrogen Production from Catalytic Steam Gasification of Coal
… CO2. In this research, the thermodynamic and kinetic simulations of the CO2 capture process on calcium-based sorbent of calcined dolomite were investigated using Aspen Plus software. Furthermore, the performance of dolomite was compared with that of Cadomin limestone in the temperature range …
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Understanding reaction pathways leading to tetrahedral organic cages via alkyne metathesis
… Professor Makoto Fujita pointed out that the kinetic factors play an important role in the successful self-assembly of large multicomponent molecular cages. However, very little attention has been dedicated to this important topic when considering dynamic reactions. The reversible nature of …
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Single-Molecule Studies of CFTR Gating and Pharmacology
… electrophysiology, electron microscopy and kinetic simulations to study human CFTR gating and conduction, as well as how these processes are altered by disease mutations and pharmacological modulation. I first established a model for gating by wild-type CFTR. I found that CFTR exhibits an …
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Mechanistic studies on the asymmetry amplifying, autocatalytic Soai reaction
… is formed via a pyridine-assisted cube-escape. Kinetics with a Trojan-horse substrate allowed the interrogation of the crucial alkyl-transfer step in the catalytic pathway. Augmented by computational studies, this approach led to the identification of the floor-to-floor transition model, wherein …
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Modelling the optical, kinetic, and thermodynamic properties of soot precursor molecules
This thesis investigates the optical, kinetic, and thermodynamic properties of soot precursor molecules, namely polyaromatic hydrocarbons (PAHs), by applying \textit{ab initio} quantum chemical methods. In particular, density functional theory (DFT) is applied to study the properties of several …
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Physicochemical and performance study of next generation alternative jet fuels
… into current aviation fuel systems. Chemical kinetics simulations and reaction chemistry evaluations supplemented this experimental data and allowed a deeper analysis into the influence of fuel composition on resulting performance. This new knowledge can accelerate AJF development by …
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Autoignition and combustion chemistry of kerosene type fuels and components
… which supports the creation and/or refinement of kinetic models as a validation comparison to enable optimization of current and future engine technologies. Over the six-year course of this project, ignition delay measurements of conventional jet fuels, alternative fuels, specially formulated …
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A study on the ion temperature gradient driven turbulence in tokamak plasmas
… tokamak plasma have been analysed. Quasi-local simulations of electrostatic Ion Temperature Gradient (ITG) modes instabilities, i.e. electrostatic microinstabilities driven in the plasma by the presence of an ion temperature gradient, have been performed. Quasi-local refers to the case in which …
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The Greener Alternative: Sustainable Development in Iron Catalysis and Biodegradable Polymers
… and detergent industries. Through an in-depth kinetic and mechanistic study of an iron homogeneous pincer complex, we advance the general understanding needed for its industrial adoption. This complex enables a route for the reduction of 45% of substrates commonly reduced in pharmaceutical …