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Accident Tolerant Fuels Claddings And The Evolution Of Their Surface Characteristics Under Critical Heat Flux, Rajnikant V. Umretiya

Theses and Dissertations

Enhanced Accident Tolerant Fuels (ATFs) systems for light water reactors require higher temperature oxidation resistance in steam environments than the current UO₂ – zirconium fuel system. Investigating the ATF materials’ surface properties is needed as they have evidenced to affect the Critical Heat Flux (CHF), which is an important parameter of the thermal-hydraulic performance required to provide safety margins. In this dissertation, the surface properties of FeCrAl alloys (APMT and C26M), Zircaloy-2, Zircaloy-4, and Cr-coating on Zircaloy-4 substrates produced by Physical Vapor Deposition (PVD) and Cold Spray (CS) were investigated according to their chemistry, topography, and wettability. The static …

Optimization And Longevity Of Functionalized Multi-Walled Carbon Nanotube-Enabled Membranes For Water Treatment, Madeleine Michael Isabella White

Master's Theses

Water scarcity is a growing concern at the global scale. Large scale water reuse is growing both in necessity and popularity. Before water reuse can be performed efficiently on a large scale or be used for potable supply, even indirectly, contaminants of emerging concern (CECs) will need to be treated at the full scale. Advanced oxidation processes (AOPs) are a form of advanced water treatment capable of treating a wide range of CECs. This study contributes to the growing field of AOPs and more specifically AOPs using ozone combined with functionalized multi-walled carbon nanotubes (MWCNTs). Ozonation of MWCNTs has been …

High-Pressure Studies On The Transition From Red Phosphorus To Black Phosphorus, Heng Xiang

Electronic Thesis and Dissertation Repository

Black phosphorus (BP) is a promising material in many research fields. However, the transition process from amorphous red phosphorus (ARP) is elusive and hence hinders large scale synthesis and applications. This work describes the application of the high-pressure method to study the transition process from ARP to BP.

In this thesis, the following three objectives were achieved: (1) to understand the mechanism of the transition, (2) to facilitate the synthesis of BP by taking the advantage of less pure ARP, (3) to propose new methods of synthesizing BP-based materials, such as the moderately oxidized BP and the black phosphorus/ amorphous …

Defect Chemistry And Transport Properties Of Solid State Materials For Energy Storage Applications, Xiaowen Zhan

Theses and Dissertations--Chemical and Materials Engineering

Replacing organic liquid electrolytes with nonflammable solid electrolytes can improve safety, offer higher volumetric and gravimetric energy densities, and lower the cost of lithium-ion batteries. However, today’s all-solid-state batteries suffer from low Li-ion conductivity in the electrolyte, slow Li-ion transport across the electrolyte/electrode interface, and slow solid-state Li-ion diffusion within the electrode. Defect chemistry is critical to understanding ionic conductivity and predicting the charge transport through heterogeneous solid interfaces. The goal of this dissertation is to analyze and improve solid state materials for energy storage applications by understanding their defect structure and transport properties.

I have investigated defect chemistry of …

Organometal Halide Perovskite Solar Absorbers And Ferroelectric Nanocomposites For Harvesting Solar Energy, Chaminda Lakmal Hettiarachchi

USF Tampa Graduate Theses and Dissertations

Organometal halide perovskite absorbers such as methylammonium lead iodide chloride (CH₃NH₃PbI₃-_xCl_x), have emerged as an exciting new material family for photovoltaics due to its appealing features that include suitable direct bandgap with intense light absorbance, band gap tunability, ultra-fast charge carrier generation, slow electron-hole recombination rates, long electron and hole diffusion lengths, microsecond-long balanced carrier mobilities, and ambipolarity. The standard method of preparing CH₃NH₃PbI₃-_xCl_x perovskite precursors is a tedious process involving multiple synthesis steps and, the chemicals being used (hydroiodic acid …

Studying Chromium And Nickel Equivalency To Identify Viable Additive Manufacturing Stainless Steel Chemistries, Zachary T. Hilton, Joseph William Newkirk, Ronald J. O'Malley

Materials Science and Engineering Faculty Research & Creative Works

Chromium and nickel equivalency modeling has long been used in welding to determine the weldability of steel chemistries. A study was conducted to determine the applicability of Cr-Ni modeling to the additive manufacturing process. Many AM methods involve rapid solidification of small melt pools, similar to welding. Chemistries with varying Cr/Ni ratios were selected for use in a selective laser melting process and modeled using known models. Initial results indicate that the standard "safe welding zone" may not directly apply to additive manufacturing. The capability to build with chemistries outside the weldability “safe zone” could result in improved and varied …

Computational Study Of Mos2/Hfo2 Defective Interfaces For Nanometer-Scale Electronics, Santosh Kc, Roberto Longo, Robert Wallace, Kyeongjae Cho

Faculty Publications

Atomic structures and electronic properties of MoS2/HfO2 defective interfaces are investigated extensively for future field-effect transistor device applications. To mimic the atomic layer deposition growth under ambient conditions, the impact of interfacial oxygen concentration on the MoS2/HfO2 interface electronic structure is examined. Then, the effect on band offsets (BOs) and the thermodynamic stability of those interfaces is investigated and compared with available relevant experimental data. Our results show that the BOs can be modified up to 2 eV by tuning the oxygen content through, for example, the relative partial pressure. Interfaces with hydrogen impurities as well as various structural disorders …

Microstructural Evolution During The Homogenization Heat Treatment Of 6xxx And 7xxx Aluminum Alloys, Pikee Priya

Open Access Dissertations

Homogenization heat treatment of as-cast billets is an important step in the processing of aluminum extrusions. Microstructural evolution during homogenization involves elimination of the eutectic morphology by spheroidisation of the interdendritic phases, minimization of the microsegregation across the grains through diffusion, dissolution of the low-melting phases, which enhances the surface finish of the extrusions, and precipitation of nano-sized dispersoids (for Cr-, Zr-, Mn-, Sc-containing alloys), which inhibit grain boundary motion to prevent recrystallization. Post-homogenization cooling reprecipitates some of the phases, changing the flow stress required for subsequent extrusion. These precipitates, however, are deleterious for the mechanical properties of the alloy …

Theoretical Study Of Photoelectrochemical Reactions And Ec-Sers On Spr Metallic Electrodes Of Silver And Gold, Yuan-Fei Wu, Ran Pang, Meng Zhang, Jian-Zhang Zhou, Bin Ren, Zhong-Qun Tian, De-Yin Wu

Journal of Electrochemistry

At present photoelectrochemistry has received much concern back to nanostructures of noble metals from semiconductor electrodes. This is due to the surface plasmon resonance (SPR) effect of metallic nanostructures, which can effectively convert the far-field light to the near-field light and concentrate the photonic energy to the local surface area with high energy density. Thus, the different enhancement mechanisms, such as the local optical field enhancement, the formation of light generated hot carriers (hot electron-hole pairs), or the photothermal effect, have been proposed in literatures. On the basis of the SPR enhancement effect, the surface-enhanced Raman spectroscopy (SERS) can be …

Voltammetric Investigation Of Xanthate Chemisorption On A Chalcopyrite Surface, Jesse Lynn Bowden

Graduate Theses & Non-Theses

Cyclic Voltammetry experiments have been conducted on copper, iron, and chalcopyrite (CuFeS2) and compared to mass-balanced EH-pH Diagrams. Potassium ethyl xanthate (KEX) was added to solution and additional voltammetry experiments were performed to determine the surface chemistry reactions of flotation collector in solution with these minerals. The ultimate goal of this research was to investigate the possibility of xanthate chemisorption onto the chalcopyrite mineral surface. Results of the copper mineral testing confirm previous literature studies and corroborate published isotherm data. Results of the iron mineral testing showed changes in surface reactions with the addition of potassium ethyl xanthate to solution, …

Colloidal Plasmonic Titanium Nitride Nanoparticles: Properties And Applications, Urcan Guler, Sergey Suslov, Alexander V. Kildishev, Alexandra Boltasseva, Vladimir M. Shalaev

U. Guler

Electronic Properties Of Inp (001)/Hfo2 (001) Interface: Band Offsets And Oxygen Dependence, Santosh Kc

Faculty Publications

Using ab-initio methods, atomic structures and electronic properties of InP (001)/HfO2 (001) interface are studied within the framework of density functional theory. We examine the InP/HfO2 model interface electronic structures under varying oxidation conditions. The effects of indium and phosphorous concentrations on interfacial bonding, defect states, band offsets, and the thermodynamic stability at the interface are also investigated. The origin of interfacial gap states in InP (001)/HfO2 (001) interface are proposed, mainly from the P-rich oxides, which is validated by our experimental work. This highlights the importance of surface passivation prior to high-κ deposition based on the in situ spectroscopic …

First-Principles Investigations Of Iron-Based Alloys And Their Properties, Krista Renee Limmer

Doctoral Dissertations

"Fundamental understanding of the complex interactions governing structure-property relationships in iron-based alloys is necessary to advance ferrous metallurgy. Two key components of alloy design are carbide formation and stabilization and controlling the active deformation mechanism. Following a first-principles methodology, understanding on the electronic level of these components has been gained for predictive modeling of alloys.

Transition metal carbides have long played an important role in alloy design, though the complexity of their interactions with the ferrous matrix is not well understood. Bulk, surface, and interface properties of vanadium carbide, VC_x, were calculated to provide insight for the carbide …

Methylsilane Derived Sic Particle Coatings Produced By Fluid-Bed Chemical Vapor Deposition, James Henry Miller

Doctoral Dissertations

This report describes the research effort that was undertaken to develop and understand processing techniques for the deposition of both low and high density SiC coatings from a non-halide precursor, in support of the Generation IV Gas-Cooled Fast Reactor (GFR) fuel development program.

The research was conducted in two phases. In the first phase, the feasibility of producing both porous SiC coatings and dense SiC coatings on surrogate fuel particles by fluidized bed chemical vapor deposition (FBCVD) using gas mixtures of methylsilane and argon was demonstrated. In the second phase, a combined experimental and modeling effort was carried out in …