Digital Commons Network^™

Methodology For Generating Simplified Cross Section Data Sets For Neutron Transport Calculations, Thomas Jay Harrison

Doctoral Dissertations

Neutron shielding problems involve radiation transport calculations over a wide range of energies. Fission neutrons have initial energy on the order of MeV, fusion neutrons have initial energy on the order of 10s of MeV, and space-origin neutrons have initial energy on the order of 100s of MeV or higher. Shielding calculations must track the neutrons from their initial energies until they are no longer of interest; for deep-penetration neutrons, this final energy can be on the order of eV before the neutron is no longer tracked. Thus, for deep-penetration space radiation shielding problems, the calculation may require tracking the …

Understanding The Influence Of Non-Covalent Interactions And Nanoparticle Geometries In Carbon Based Polymer Nanocomposites, Bradley Carroll Miller

Doctoral Dissertations

Low-loading polymer nanocomposites (PNC) are an area of great interest in polymer science. As nanoparticles (NP) are typically expensive in comparison to matrix materials; the low loading regime makes the most efficient use of materials, and represents the optimum for realizing cost effective, high-performance PNCs. However, formulating effective low-loading composites is not without challenges. In addition to the typical requirement of good dispersion for efficient translation of NP properties to the bulk, low-loading composites can sometimes exhibit anomalous (non-classical) dynamics, and unpredictable properties. It is within this context that this thesis aims to examine the effects of NP geometry and …

Rare Earth Production And Characterization Studies, Jake Anson Stewart

Doctoral Dissertations

The rare earths include elements Sc, Y, and La through Lu are important in many modern technologies. With the exception of Sc and Ce the rare earths are all have similar chemical behaviors with the preferred oxidation state in aqueous solution being +3. Currently, industrial purification of the rare earths is completed by counter current solvent extraction (CCSX). In most CCSX separations, Y extracts with Ho making their separation difficult. However, in a few systems Y exhibits an itinerant behavior. Carboxylic acids of varying sizes and substitutions were investigated in a study of Y itinerant behavior. It was found when …

Interface And Morphology Engineering In Solution-Processed Electronic And Optoelectronic Devices, Sanjib Das

Doctoral Dissertations

The first part of this dissertation focuses on interface and morphology engineering in polymer- and small molecule-based organic solar cells. High-performance devices were fabricated, and the device performance was correlated with nanoscale structures using various electrical, spectroscopic and microscopic characterization techniques, providing guidelines for high-efficiency cell design.

The second part focuses on perovskite solar cells (PSCs), an emerging photovoltaic technology with skyrocketing rise in power conversion efficiency (PCE) and currently showing comparable PCEs with those of existing thin film photovoltaic technologies such as CIGS and CdTe. Fabrication of large-area PSCs without compromising reproducibility and device PCE requires formation of dense, …

Solution And Surface Properties Of Architecturally- And Compositionally-Complex Block Copolymers And Their Binary Mixtures, Jesse Lawrence Davis

Doctoral Dissertations

The spontaneous generation of complex structures from polymeric building blocks provides a simple yet effective route to create useful soft matter structures having potential application in a variety of nanotechnologies. The topology, chemical structure, block composition, and sequence of the constituent building blocks of polymers are tunable through synthetic chemistry. This tunability offers attractive opportunities to generate complex, yet well-defined structures with control over the geometry, packing symmetry, and microdomain structure. This thesis work involves the study of the self-assembly behaviors of architecturally complex amphiphilic block copolymers (ABCs). ABCs are composed of two or more chemically distinct blocks that are …

Effective Field Theory Approach To Collective Motion In Atomic Nuclei, Eduardo Antonio Coello Perez

Doctoral Dissertations

Collective motion in heavy nuclei has been studied within collective and algebraic models, and within density functional theory. While they reproduce the energy spectra of these systems, their predictions for some electromagnetic transitions and moments do not lie within experimental uncertainty; in other words, these predictions are inconsistent with experimental data. An effective field theory approach to collective motion in heavy nuclei solves this long standing problem. Based on symmetry arguments only, the effective field theories, constructed as expansions in powers of a small parameter, consistently describe the energy spectra of nuclei exhibiting collective motion at low order in the …

Solar Modulation Of The Cosmic Ray Intensity And The Measurement Of The Cerenkov Reemission In Nova’S Liquid Scintillator, Philip James Mason

Doctoral Dissertations

The NOνA (NuMI Off-axis electron neutrino Appearance) experiment is a long baseline neutrino oscillation experiment at Fermi National Accelerator Laboratory. Its purpose is to observe the oscillation of ν_μ (muon neutrino) to ν_e (electron neutrino) and to investigate the neutrino mass hierarchy and CP violation in the neutrino sector. Two detectors have been built for this purpose, a Near Detector 300 feet underground at Fermilab, and a Far Detector, on the surface at Ash River, Minnesota.

The completion of NOνA’s Far Detector in October 2014 enabled not only the recent measurement of neutrino oscillations, but an array of …

Computational Simulation Of Mass Transport And Energy Transfer In The Microbial Fuel Cell System, Shiqi Ou

Doctoral Dissertations

This doctoral dissertation introduces the research in the computational modeling and simulation for the microbial fuel cell (MFC) system which is a bio-electrochemical system that drives a current by using bacteria and mimicking bacterial interactions found in nature. The numerical methods, research approaches and simulation comparison with the experiments in the microbial fuel cells are described; the analysis and evaluation for the model methods and results that I have achieved are presented in this dissertation.

The development of the renewable energy has been a hot topic, and scientists have been focusing on the microbial fuel cell, which is an environmentally-friendly …

Neuron Clustering For Mitigating Catastrophic Forgetting In Supervised And Reinforcement Learning, Benjamin Frederick Goodrich

Doctoral Dissertations

Neural networks have had many great successes in recent years, particularly with the advent of deep learning and many novel training techniques. One issue that has affected neural networks and prevented them from performing well in more realistic online environments is that of catastrophic forgetting. Catastrophic forgetting affects supervised learning systems when input samples are temporally correlated or are non-stationary. However, most real-world problems are non-stationary in nature, resulting in prolonged periods of time separating inputs drawn from different regions of the input space.

Reinforcement learning represents a worst-case scenario when it comes to precipitating catastrophic forgetting in neural networks. …

Novel Thermoplastic Elastomers Based On Benzofulvene: Synthesis And Mechanical Properties, Weiyu Wang

Doctoral Dissertations

Thermoplastic elastomers (TPEs) are of great importance both academically and technologically. Currently TPEs are the predominated form of styrene-diene copolymers. However, these styrenic TPEs have serious limitations in applications, especially at higher temperature, because of their low upper service temperature (UST). The work described in this dissertation aimed to developing thermoplastic elastomers with a higher UST and lower cost.

In order to develop TPEs with a higher UST, we employed benzofulvene, an anionically polymerizable monomer in hydrocarbon solvent at room temperature, as the glassy block and copolymerized it with isoprene to prepare polybenzofulvene-polyisoprene-polybenzofulvene (FIF) triblock copolymers. Among all triblock copolymers …

All-Acrylic Multigraft Copolymers: Synthesis And Structure-Property Relationship For Producing Next Generation Thermoplastic Elastomers, Andrew Brown Goodwin

Doctoral Dissertations

Polymer architecture and the advancement of molecular design using anionic and other controlled polymerization methods continues to be of significant research interest because of the tunable approach it provides, which can impact numerous applications ranging from thermoplastics to drug delivery systems. Among the numerous branched structures currently investigated, comb and graft copolymers continue to provide tailored materials which exhibit superior mechanical properties when compared to their di- and triblock linear counterparts. More specifically, the incorporation of two or more monomers into graft and multigraft constructions where the side chains are composed of a plastic (high T_g [glass transition temperature]) …

The Effect Of Composition And Architecture On Polymer Behavior In Homopolymer Blends And Inter-Filament Bonding In 3d Printed Models, Edward Roy Duranty

Doctoral Dissertations

This dissertation presents work that increases our understanding of the effects of composition and architecture on copolymer structure and dynamics and how they affect material diffusion between filaments in a 3D printed model. Copolymers are polymer chains made up of at least two different monomers. The ordering and arrangement of the two monomer species within a copolymer can have drastic effects on the behavior and properties of the copolymer.

The first chapter of this dissertation examines how the copolymer composition affects the structure and dynamics of the chain in a homopolymer blend. This study used a modified Monte Carlo BFM …

Batched Linear Algebra Problems On Gpu Accelerators, Tingxing Dong

Doctoral Dissertations

The emergence of multicore and heterogeneous architectures requires many linear algebra algorithms to be redesigned to take advantage of the accelerators, such as GPUs. A particularly challenging class of problems, arising in numerous applications, involves the use of linear algebra operations on many small-sized matrices. The size of these matrices is usually the same, up to a few hundred. The number of them can be thousands, even millions.

Compared to large matrix problems with more data parallel computation that are well suited on GPUs, the challenges of small matrix problems lie in the low computing intensity, the large sequential operation …

Bacterial Diversity And Function Within An Epigenic Cave System And Implications For Other Limestone Cave Systems, Kathleen Merritt Brannen-Donnelly

Doctoral Dissertations

There are approximately 48,000 known cave systems in the United States of America, with caves formed in carbonate karst terrains being the most common. Epigenic systems develop from the downward flow of meteoric water through carbonate bedrock and the solutional enlargement of interconnected subsurface conduits. Despite carbonate karst aquifers being globally extensive and important drinking water sources, microbial diversity and function are poorly understood compared to other Earth environments. After several decades of research, studies have shown that microorganisms in caves affect water quality, rates of carbonate dissolution and precipitation, and ecosystem nutrition through organic matter cycling. However, limited prior …

Spontaneously Generated Inhomogeneous Phases Via Holography, Kübra Yeter Aydeniz

Doctoral Dissertations

We discuss a holographic model consisting of a U(1) gauge field and a scalar field coupled to a charged AdS (anti-de Sitter) black hole under a spatially homogeneous chemical potential. By turning on a higher-derivative interaction term between the U(1) gauge field and the scalar field, a spatially dependent profile of the scalar field is generated spontaneously. We calculate the critical temperature at which the transition to the inhomogeneous phase occurs for various values of the parameters of the system. We solve the equations of motion below the critical temperature, and show that the dual gauge theory on the boundary …

Algorithm-Based Fault Tolerance For Two-Sided Dense Matrix Factorizations, Yulu Jia

Doctoral Dissertations

The mean time between failure (MTBF) of large supercomputers is decreasing, and future exascale computers are expected to have a MTBF of around 30 minutes. Therefore, it is urgent to prepare important algorithms for future machines with such a short MTBF. Eigenvalue problems (EVP) and singular value problems (SVP) are common in engineering and scientific research. Solving EVP and SVP numerically involves two-sided matrix factorizations: the Hessenberg reduction, the tridiagonal reduction, and the bidiagonal reduction. These three factorizations are computation intensive, and have long running times. They are prone to suffer from computer failures.

We designed algorithm-based fault tolerant (ABFT) …

Investigating Advection Control In Competitive Pde Systems And Environmental Transmission In Johne's Disease Ode Models, Kokum Rekha De Silva

Doctoral Dissertations

We extend the work on optimal control of advective direction in a reaction-diffusion population model to a system representing two competing populations. We investigate the choice of movement direction to benefit a population. First, the advective direction in one of the populations in a competition model is the control. Next, we extend the work by taking the advective directions of both populations as controls. In both these cases the objective is to maximize a weighted combination of the two populations while minimizing the cost involved in the species movement. Mathematical analysis is completed to derive the optimality system and numerical …

Designing Novel 1,2,3- And 1,2,4-Triazoles For Coordination Complexes And Frameworks, Brianna Celiese Hughes

Doctoral Dissertations

Triazoles are a versatile ligand that forms a variety of compounds and extended materials within the field of coordination chemistry. The reaction of triazoles with metals leads to the synthesis of homoleptic complexes, coordination polymers and metal-organic frameworks (MOFs). These triazole compounds and materials have been employed for a variety of applications in chemistry ranging from nanomaterials to anion recognition.

The synthesis of tris(1,2,3-triazolyl)borate completed and complemented the initial research began by Trofimenko in 1966. This ligand was used in metal reactions and found to form both homoleptic complexes and coordination polymers. The connectivity of the tris(1,2,3-triazolyl)borate varied dependent on …

Versatile Three-Phase Power Electronics Converter Based Real-Time Load Emulators, Jing Wang

Doctoral Dissertations

This dissertation includes the methodology, implementation, validation, as well as real-time modeling of a load emulator for a reconfigurable grid emulation platform of hardware test-bed (HTB). This test-bed was proposed by Center of Ultra-wide-area Resilient Electric Energy Transmission Network (CURENT) at the University of Tennessee, at Knoxville in 2011, to address the transmission level system challenges posed by contemporary fast changing energy technologies.

Detailed HTB introduction, including design concept, fundamental units and hardware construction, is elaborated. In the development, current controlled three-phase power electronics converter based emulator unit is adopted to create desired power system loading conditions.

In the application, …

Engineering Photosystem I Complexes For Use In Bio-Hybrid Dye-Sensitized Solar Cells, Richard Franklin Simmerman

Doctoral Dissertations

Increasing global population, growing per capita energy needs, diminishing fossil fuels, and climate change collectively will require new, innovative, and sustainable alternatives to meet the world’s growing energy needs. One of the most promising yet simple approaches are dye-sensitized solar cells (DSSCs). However, conventional DSSCs use semi-conductor anodes sensitized with complex synthetic organometallic dyes. Most dyes utilize ruthenium complexes to absorb photons, which upon excitation, inject electrons into the anode, while holes migrate to the cathode via liquid electrolyte. However, these dyes are expensive, difficult to make, and resource-limited. This dissertation focuses on replacing synthetic dyes with the naturally occurring, …

Measurements Of Methyl Radicals And Temperatures By Using Coherent Microwave Rayleigh Scattering From Resonance Enhanced Multiphoton Ionization, Yue Wu

Doctoral Dissertations

This thesis includes two main parts: (I) The CH₃[methyl radical] detection in methane/air flames and (II) the rotational temperature measurement of O₂[molecular oxygen] in a variety of environments by using coherent microwave Rayleigh scattering from resonance enhanced multiphoton ionization (Radar REMPI).

In first the part, from Chapter I to Chapter III, the methyl radical detection and quantitative measurements have been conducted in hydrocarbon flame with one-dimensional and two-dimensional spatial-resolved concentration distribution. Due to the proximity of the argon resonance state (4+1 REMPI by 332.5 nm) with the CH₃ state (2+1 REMPI by 333.6 nm), in …

Examination Of Banded Iron Formation Through Petrographic, Geochemical And Iron Isotope Analyses, Melissa Margaret Hage

Doctoral Dissertations

Banded iron formation (BIF) has the potential to preserve geochemical signatures critical to interpretation of early Earth because: (1) it is found within the Precambrian when fundamental changes in Earth’s physical, biological and chemical evolution occurred, and (2) it may preserve a record of the depositional environment. Rare earth elements (REE) are useful for investigating BIF because they have characteristic features. One goal of this study was to evaluate the calculation of certain REE ratios to determine if the calculation affected the interpretation. It was concluded that the method for calculating certain ratios may affect the interpretation of redox conditions …

Developing An Optimal Model For Infant Home Visitation, Isaac Atuahene

Doctoral Dissertations

The United States, Great Britain, Denmark, Canada and many other countries have accepted home visitation (HV) as a promising strategy for interventions for infants after births and for their mothers. Prior HV studies have focused on theoretical foundations, evaluations of programs, cost/benefit analysis and cost estimation by using hospital/payer/insurance data to prove its effectiveness and high cost. As governments and private organizations continue to fund HVs, it is an opportune time to develop and formulate operations research (OR) models of HV coverage, quality and cost so they might be used in program implementation as done for adult home healthcare (HHC) …

Evaluating The Effects Of Standardized Patient Care Pathways On Clinical Outcomes, Anna V. Romanova

Doctoral Dissertations

The main focus of this study is to create a standardized approach to evaluating the impact of the patient care pathways across all major disease categories and key outcome measures in a hospital setting when randomized clinical trials are not feasible. Toward this goal I identify statistical methods, control factors, and adjustments that can correct for potential confounding in observational studies. I investigate the efficiency of existing bias correction methods under varying conditions of imbalanced samples through a Monte Carlo simulation. The simulation results are then utilized in a case study for one of the largest primary diagnosis areas, chronic …

Evidence Of Late Quaternary Fires From Charcoal And Siliceous Aggregates In Lake Sediments In The Eastern U.S.A., Joanne P. Ballard

Doctoral Dissertations

The late-glacial transition to the Holocene, 15,000–11,600 cal yr BP, is an enigmatic period of dynamic global changes and a major extinction event in North America. Fire is an agent of disturbance that transforms the environment physically and chemically, and affects plant community composition. To improve understanding of the linkages between fire, vegetation, and climate over the late glacial and Holocene in the eastern U.S., I analyzed lake-sediment cores for charcoal and indicators of wood ash, and compared results to existing pollen records. A new microscopic charcoal record from Anderson Pond, Tennessee revealed high fire activity from 23,000–15,000 cal yr …

On The Spin Evolution Of Isolated Pulsars, Oliver Quinn Hamil

Doctoral Dissertations

Neutron stars are the remnants of supernova explosions, and harbor the densest matter found in the universe. Because of their extreme physical characteristics, neutron stars make superb laboratories from which to study the nature of matter under conditions of extreme density that are not reproducible on Earth. The understanding of QCD matter is of fundamental importance to modern physics, and neutron stars provide a means of probing into the cold, dense region of the QCD phase diagram.

Isolated pulsars are rotating neutron stars that emit beams of electromagnetic radiation into space which appear like lighthouses to observers on Earth. Observations …

Timing And Extent Of The Little Ice Age Glacial Advances In The Eastern Tian Shan, China, Yanan Li

Doctoral Dissertations

Located in Central Asia, one of the most continental regions on Earth, the Tian Shan’s glaciers contribute critical fresh water to populated areas in the lowland. These glaciers are sensitive to climate change, and knowledge of contemporary glaciers and their changes in the past is of critical importance for sustainable development in this region. Constraining glacial fluctuations in recent centuries will fill a gap in numerical constraints on glacial history and paleoclimate information, and provide important evidence on the spatio-temporal changes of the climate systems in the Tian Shan. This doctoral dissertation investigates the timing and extent of Little Ice …

Nanoscaled Cellulose And Its Carbonaceous Material: Application And Local Structure Investigation, Yujie Meng

Doctoral Dissertations

In this dissertation, cellulose nanocrystals three-dimensional morphology, size distribution, and the crystal structure were statistically and quantitatively investigated. Lognormal distribution was identified as the most likely for cellulose nanocrystals’ size distribution. Height and width dimensions were shown to decrease toward the ends from the midpoint of individual CNCs, implying a spindle-like shape. XRD analysis of crystallite size accompanied with TEM and AFM measurements revealed that the cross-sectional dimensions of individual switchgrass CNC were either rectangular or elliptical shape, with an approximately 3~5 nm [nanometer] lateral element length range. A sponge-like carbon aerogel from microfibril cellulose with high porosity, ultra-low density, …

Synthesis, Characterization And Evaluation Of Lectin-Binding Properties Of 1,2-Cis-Glycosides, Bo Meng

Doctoral Dissertations

This dissertation presents a state-of-the-art research of 1,2-cis-glycosides, including synthetic methodology development, combinatorial total synthesis of galactoside ligands, construction of glycomicroarray surfaces, and quantitative evaluation of carbohydrate–lectin binding properties.

In Chapter 1, as a general introduction, various strategies that have been developed for the stereoselective construction of 1,2-cis-O-glycosidic bond are reviewed. 1,2-cis-O-Glycoside structural units are ubiquitous in nature, and they are extensively involved in numerous biological activities. The systematic identification and evaluation of the roles of carbohydrates usually relies on practical synthetic approaches to afford pure carbohydrates in considerable quantities. …

Vapor Synthesis And Thermal Evolution Of Supportless, Metal Nanotubes And Application As Electrocatalysts, Robert William Atkinson

Doctoral Dissertations

One of the major limitations of proton exchange membrane fuel cells (PEMFCs) is the high cost and poor durability of the currently preferred catalyst design, small Pt nanoparticles supported on high surface area carbon (Pt/C). Unsupported, high-aspect ratio nanostructured catalysts, or extended surface catalysts, are a promising paradigm as electrocatalysts for a number of electrochemical reactions. These extended surface catalysts generally exhibit higher specific activities compared to their carbon-supported nanoparticle counterparts that have been ascribed to their unique electronic, surface and structural properties. Extended surface catalysts frequently maintain enhanced durability over supported catalysts during fuel cell operation because they are …