Physical Sciences and Mathematics Commons^™

Beta-Delayed Neutron Emission Spectroscopy In The 78ni Region And Development Of Yso-Based Implantation Detector, Maninder Singh

Doctoral Dissertations

Decays of Cu isotopes provide a laboratory to study the properties for nearly doubly-magic nuclei with a significant neutron excess which are also relevant for the r-process models. The beta-decay properties of doubly-magic ⁷⁸Ni (N=50) are imprinted in the neighboring Cu decay, nuclei with a single proton outside the Z=28 core. The investigated isotopes ^79,80,81Cu are strong beta-delayed neutron precursors, suggesting that their decay strength distribution lies above neutron separation energies in ^79,80,81Zn daughters.

For decay studies, a segmented scintillator YSO (Y₂SiO₅ : Ce doped) based implantation detector was developed at the University of …

Tokamak 3d Heat Load Investigations Using An Integrated Simulation Framework, Thomas Looby

Doctoral Dissertations

Reactor class nuclear fusion tokamaks will be inherently complex. Thousands of interconnected systems that span orders of magnitude in physical scale must operate cohesively for the machine to function. Because these reactor class tokamaks are all in an early design stage, it is difficult to quantify exactly how each subsystem will act within the context of the greater systems. Therefore, to predict the engineering parameters necessary to design the machine, simulation frameworks that can model individual systems as well as the interfaced systems are necessary. This dissertation outlines a novel framework developed to couple otherwise disparate computational domains together into …

Model Based Force Estimation And Stiffness Control For Continuum Robots, Vincent A. Aloi

Doctoral Dissertations

Continuum Robots are bio-inspired structures that mimic the motion of snakes, elephant trunks, octopus tentacles, etc. With good design, these robots can be naturally compliant and miniaturizable, which makes Continuum Robots ideal for traversing narrow complex environments. Their flexible design, however, prevents us from using traditional methods for controlling and estimating loading on rigid link robots.

In the first thrust of this research, we provided a novel stiffness control law that alters the behavior of an end effector during contact. This controller is applicable to any continuum robot where a method for sensing or estimating tip forces and pose exists. …

Experimental Chronology And Investigation Of Yttrium Aluminum Garnet Nanoparticle Syntheses, Matthew Mcdonald

Doctoral Dissertations

Yttrium aluminum garnet (YAG) has been a material of intense interest since its discovery in 1964. Recently, efforts have been made to find alternate ways of producing YAG and other analogous oxides as dense materials for applications in lasers, scintillators, and optics. Methods of densification necessitate the use of nanomaterials as the building blocks for their development.

The production of nano-oxides is a diverse field with numerous methods, each with its own benefits and drawbacks. Methods like ball milling and solution combustion were chosen because of their projected simplicity, meanwhile flame spray pyrolysis and precipitation were chosen because of the …

Towards The Production Of A Self-Consistent Phase Space Distribution, Austin Hoover

Doctoral Dissertations

A self-consistent phase space distribution is a charged particle beam in which the electric field has a linear dependence on the particle coordinates, and in which the linearity of the electric field is conserved as the beam is transported through arbitrary linear focusing fields. These features could increase the possible beam intensity in a circular accelerator by minimizing/eliminating the space charge tune shift/spread. Additionally, the uniform density of known self-consistent distributions would be ideal for fixed-target applications. Finally, certain self-consistent distributions can be flattened by exploiting the relationships between their phases space coordinates and would therefore be useful in a …

The Upgraded Measurement Of The Neutron Lifetime Using The In-Beam Method, Jimmy P. Caylor

Doctoral Dissertations

Precision measurements of neutron beta decay can provide answers to some of the most fundamental questions in particle physics, astrophysics and cosmology. Neutron beta decay is the simplest semi-leptonic decay; therefore, it provides a clean test of the charged current sector of the Standard Model (SM). A precise measurement of the neutron lifetime and λ, the ratio of axial vector and vector coupling constants of the weak interaction, allows for a determination of the Cabibbo-Kobayashi-Moskawa (CKM) matrix element V_ud that is free from nuclear structure effects. The SM predicts that the CKM matrix is unitary; therefore, the measurement of …

The Exploration Of Small Molecules, Lanthanide Complexes, And Catalysis Using Electronic Structure Theory, Dynamics, And Machine Learning, Gavin Mccarver

Doctoral Dissertations

With the ever increasing availability of computational resources, more challenging chemical systems can be studied. Among these challenges are the rotational and vibrational spectra of diatomic molecules within spectroscopic accuracy, the environmental perturbations induced on a rotating water molecule, the prediction of free binding energies of lanthanide complexes using machine learning, and the study of catalytic mechanisms through a theoretical framework. High levels of electronic structure theory were combined with a rigorous treatment of either the anharmonic vibrational wave functions to study diatomic molecules or the rotational wave functions to study H₂O-pH₂ interactions. The former was initially …

Design And Development Of The Urban Population Health Observatory To Improve Disease Surveillance And Response, Whitney Brakefield

Doctoral Dissertations

Chronic and infectious diseases have a profound impact on the quality and length of life of populations that suffer from these conditions. Scientists, physicians, and health officials are seeking innovative approaches to decrease the morbidity and mortality of deadly diseases. Incorporating artificial intelligence and data science techniques across the health science domain could improve disease surveillance, intervention planning, and policymaking. In this dissertation, we describe the design and development of the Urban Population Health Observatory (UPHO), an explainable knowledge-based multimodal big data analytics platform. A common challenge for conducting multimodal big data analytics is integrating multidimensional heterogeneous data sources, which …

Emergent Phenomenon In Jeff=1/2 Iridate, Junyi Yang

Doctoral Dissertations

Recent work on various quantum materials has led to fruitful result including unconventional magnetic states, topological properties, and exotic emergent phenomenon. High T_c superconductivity is one of the prominent properties discovered in quantum materials like strong correlated systems. Though the efforts on understanding this exotic behavior have lasted for years, the mechanism remains elusive owing to the many-body nature of the system and the research scope limitation within cuprates. Recent unravel of J_eff=1/2 state in the iridate square lattice offers alternative to study the complicated many body physics and potentially achieve high T_c superconductivity. In addition, …

Iterative Random Forest Based High Performance Computing Methods Applied To Biological Systems And Human Health, Angelica M. Walker

Doctoral Dissertations

As technology improves, the field of biology has increasingly utilized high performance computing techniques to analyze big data and provide insights into biological systems. A reproducible, efficient, and effective method is required to analyze these large datasets of varying types into interpretable results. Iterative Random Forest (iRF) is an explainable supervised learner that makes few assumptions about the relationships between variables and is able to capture complex interactions that are common in biological systems. This forest based learner is the basis of iRF-Leave One Out Prediction (iRF-LOOP), an algorithm that uses a matrix of data to produce all-to-all predictive networks. …

Experimental Physical Chemistry Applications For Material Science: The Neutron Vibrational Spectrum Of Biaxially-Oriented Pet And Hkust-1 As A Qcm-Based Ethylene Sensor, Zachary D. Stroupe

Doctoral Dissertations

This work is divided into two comprehensive subjects exploiting fundamental properties of physical chemistry to understand applied materials. The two subjects will be: the inelastic neutron scattering of thin polyethylene terephthalate (PET) films and the design and development of a quartz crystal microbalance-based ethylene detector. For the work involving the thin films, the inelastic neutron scattering (INS) was accomplished using the high flux of the VISION vibrational spectrometer at the Spallation Neutron Source yielding the highest quality data currently available. The torsional vibrational modes of biaxially-oriented PET (bPET) will be reported with the help of DFT calculations to aid in …

Toward Scalable Morphogenetic Engineering: Natural Computing In Sph Swarm Control, Allen C. Mcbride

Doctoral Dissertations

Artificial morphogenesis (or morphogenetic engineering) seeks inspiration from developmental biology to engineer self-organizing systems. The Morphgen language uses partial differential equations (PDEs) to express artificial morphogenetic processes as spatial fields describing large numbers of agents in the continuum limit. I present an approach to compile such systems of PDEs by discretizing their behavior to derive controllers for finite numbers of agents of finite size. This approach builds on a generalization of methods to control swarms of robots based on the computational fluid dynamics technique of smoothed particle hydrodynamics (SPH). I address potential scalability and efficiency challenges in SPH robotics by …

Measurement Of Neutrino-Induced Neutron Production In Lead, Brandon J. Becker

Doctoral Dissertations

The COHERENT Collaboration is an experimental effort to make the first measurement of coherent elastic neutrino-nucleus scattering (CE𝜈NS). The Spallation Neutron Source (SNS) at Oak Ridge National Laboratory provides an intense, timed source of neutrinos from the decay of pions and muons produced during the spallation of mercury by 1 GeV protons generated in a particle accelerator. COHERENT seeks to make an unambiguous measurement by using a variety of low-threshold detectors capable of measuring the low-energy nuclear recoils resulting from CE𝜈NS interactions. This already challenging task is further complicated with the presence of backgrounds. Consequently, we must seek to reduce …

The Development Of Photoinduced Initiation Of Olefin Polymerization And Its Applications, Justin M. Burroughs

Doctoral Dissertations

Polyolefin synthesis is an ever-growing field due to the low cost of monomer feed stocks and the wide range of applications of the resulting polymeric material. Polyolefins are most commonly polymerized through coordination-insertion polymerization. One area this field of research has progressed is the development of complex ligand scaffolds to achieve various levels of control over polymerization. For example, researchers have been able to control molecular weight, branching density, and tacticity of various olefin polymerizations. As a result of complex ligand scaffolds, the catalytic systems become more expensive and less industrially applicable. On the other hand, little research efforts have …

Chiral Mesogen-Free Liquid Crystalline Polyethers With Sulfonylated Side Chains And Patchy Brush Nanoparticles, Caleb A. Bohannon

Doctoral Dissertations

Ferroelectric liquid crystalline polymers (LCPs) hold promise for various applications driven by low electric fields, e.g., electrocaloric materials, because of the higher molecular motion in the liquid crystalline (LC) state. However, traditional chiral smectic C (SmC*) LCPs exhibit small spontaneous polarizations due to the bulky aromatic mesogens and weak polar groups. This dissertation research is focused on the design of mesogen-free sulfonylated LCPs with a goal of seeking the ferroelectric SmC* phase. Such LCPs are expected to exhibit high polarizations owing to the sulfonyl’s large dipole moment. A series of poly(oxypropylene)s (POPs), with chirality being introduced into either the backbone …

Study Of One-Nucleon Transfer Reactions, Jerome Mathew Kovoor

Doctoral Dissertations

The structure of nuclei away from the line of stability and near the driplines in the nuclear chart has been of huge interest since the arrival of radioactive ion beam facilities. The properties of nuclei evolve as a function of proton and neutron numbers and understanding the mechanisms behind this is one of the keys to explaining the strong nuclear force. Single-nucleon transfer reactions using deuteron targets are powerful probes of nuclear structure when the emitted proton or neutron is measured with high fidelity.

A variety of structure phenomena are observed in the beryllium isotopes marking them particularly attractive for …

Development Of Stimuli-Responsive Liposomes For Drug Delivery Applications, Jinchao Lou

Doctoral Dissertations

Liposomes are spherical nano-assemblies that are proven to be effective drug delivery vehicles. Due to their unique bilayer structures, they are able to encapsulate both hydrophilic and hydrophobic drugs in their aqueous inner core and membrane bilayers, respectively. While liposomal delivery platforms exbibit numerous advantages, the therapeutic efficacy of these platforms would be enhanced by developing triggered release strategies such that one can tune the timing and location of the cargo release in a controlled manner. In this dissertation, we mainly present the development of stimuli-responsive liposomes targeting different disease-associated metabolites utilizing rationally designed synthetic lipid switches.

In Chapter 2, …

A High Rate Pixelated Neutron Detector For Neutron Reflectometry At The Spallation Neutron Source, Su-Ann Chong

Doctoral Dissertations

This work presents the development of a high-rate 6Li-based pixelated neutron detector for neutron reflectometry instruments at the Spallation Neutron Source (SNS), Oak Ridge National Laboratory. The current detector technology falls short on the instrument requirements, particularly on the counting rate capability. This detector was designed specifically to overcome the limitation in counting rate by having a fully pixelated design from neutron conversion layer to photodetector and readout system. For the neutron converting layer, a 6Li-based neutron scintillator was used. Each scintillator element was coupled to a photodetector, in this case, a silicon photomultiplier (SiPM). The output of each SiPM …

Control And Calibration Strategies For Quantum Simulation, Paul M. Kairys

Doctoral Dissertations

The modeling and prediction of quantum mechanical phenomena is key to the continued development of chemical, material, and information sciences. However, classical computers are fundamentally limited in their ability to model most quantum effects. An alternative route is through quantum simulation, where a programmable quantum device is used to emulate the phenomena of an otherwise distinct physical system. Unfortunately, there are a number of challenges preventing the widespread application of quantum simulation arising from the imperfect construction and operation of quantum simulators. Mitigating or eliminating deleterious effects is critical for using quantum simulation for scientific discovery. This dissertation develops strategies …

Numerical Methods For Stochastic Stokes And Navier-Stokes Equations, Liet Vo

Doctoral Dissertations

This dissertation consists of three main parts with each part focusing on numerical approximations of the stochastic Stokes and Navier-Stokes equations.

Part One concerns the mixed finite element methods and Chorin projection methods for solving the stochastic Stokes equations with general multiplicative noise. We propose a modified mixed finite element method for solving the Stokes equations and show that the numerical solutions converge optimally to the PDE solutions. The convergence is under energy norms (strong convergence) for the velocity and in a time-averaged norm (weak convergence) for the pressure. In addition, after establishing the error estimates in second moment, high …

Sequential Deformations Of Hadamard Matrices And Commuting Squares, Shuler G. Hopkins

Doctoral Dissertations

In this dissertation, we study analytic and sequential deformations of commuting squares of finite dimensional von Neumann algebras, with applications to the theory of complex Hadamard matrices. The main goal is to shed some light on the structure of the algebraic manifold of spin model commuting squares (i.e., commuting squares based on complex Hadamard matrices), in the neighborhood of the standard commuting square (i.e., the commuting square corresponding to the Fourier matrix). We prove two types of results: Non-existence results for deformations in certain directions in the tangent space to the algebraic manifold of commuting squares (chapters 3 and 4), …

A Coarse Approach To The Freudenthal Compactification And Ends Of Groups, Hussain S. Rashed

Doctoral Dissertations

The main purpose of this work is to present a coarse counterpart to the Freudenthal compactification and its corona (the space of ends) that generalizes the Freudenthal compactification of a Freudenthal topological space X (connected, locally connected, locally compact and σ-compact) and its corona; then applying it to groups as coarse space to obtain generalizations to many well-known results in the theory of ends of groups. To this end, we present two constructions:

1. The Coarse Freudenthal compactification of a proper metric space which is a coarse compactification that coincides with the Freudenthal compactification when the metric space is geodesic. …

Design Of Polymeric Membranes For Large-Scale Energy Storage, Michelle L. Lehmann

Doctoral Dissertations

Many countries have enacted renewable energy targets of 32% or more by 2040 to reduce their carbon footprint. However, due to the intermittent nature of renewable energy sources, long-duration energy storage systems are vital for providing a secure electricity supply. To meet this demand, new battery technologies utilizing earth-abundant and low-cost components are necessary. Among them, non-aqueous redox flow batteries represent a transformative energy storage system due to their flexible material selection and wide operating voltage window. A membrane plays a critical role in these next-generation energy storage technologies as it separates the anode and cathode while allowing for facile …

Optimization And Development Of Sodium-Based Electrolytes For Energy Storage Devices, Jameson L. Tyler

Doctoral Dissertations

Energy storage devices have undergone development for decades. Much of the research is focused on the improvement of energy density by developing existing electrodes and investigating novel electrode materials. This has led to the overall improvement of traditional lithium-ion batteries, but also the discovery of new energy storage devices such sodium-ion batteries, redox flow batteries, solid electrolyte-based batteries, and many more. As the field expands, fundamental research is necessary to fully ascertain the validity of these novel systems for long term success. One of the most important components to all electrochemical energy storage devices such as batteries and supercapacitors is …

Influence Of Tethered, Axially Coordinated Ligands On Rh(Ii,Ii)-Catalyzed Carbene Transfer Reactions, Cristian E. Zavala

Doctoral Dissertations

Dirhodium (II,II) paddlewheel complexes have become ubiquitous in diazo-mediated carbene transfer reactions. The Rh(II,II)-carbene intermediate is capable of a large variety of transformations such as cyclopropanation, C-H and X-H (O, N, S, Si, B) insertion reactions, cyclopropenations, and ylide transformations. Cyclopropanation reactions resulting in the formation of functionalized cyclopropane structures has always been a major focus in Rh(II,II)-carbene chemistry. Improvements on catalytic performance in cyclopropanations has largely focused on the modification of the bridging ligands and has resulted in Rh(II,II) catalysts that exhibit high reactivity and selectivity in cyclopropanation reactions. However, high enantio- and diastereoselectivity is not easily achieved with …

Some Results About Reproducing Kernel Hilbert Spaces Of Certain Structure, Jesse Gabriel Sautel

Doctoral Dissertations

The theory of reproducing kernel Hilbert spaces has been crucial to the development of many of the most significant modern ideas behind functional analysis. In particular, there are two classes of reproducing kernel Hilbert spaces that have seen plenty of interest: that of complete Nevanlinna-Pick spaces and de Branges-Rovnyak spaces.

In this dissertation, we prove some results involving each type of space separately as well as one result regarding their potential overlap. It turns out that a de Branges-Rovnyak space is also of complete Nevanlinna-Pick type as long as there exists a multiplier satisfying a certain identity.

Further, we extend …

Sparse Model Selection Using Information Complexity, Yaojin Sun

Doctoral Dissertations

This dissertation studies and uses the application of information complexity to statistical model selection through three different projects. Specifically, we design statistical models that incorporate sparsity features to make the models more explanatory and computationally efficient.

In the first project, we propose a Sparse Bridge Regression model for variable selection when the number of variables is much greater than the number of observations if model misspecification occurs. The model is demonstrated to have excellent explanatory power in high-dimensional data analysis through numerical simulations and real-world data analysis.

The second project proposes a novel hybrid modeling method that utilizes a mixture …

A Weak Fractional Calculus Theory And Numerical Methods For Fractional Differential Equations, Mitchell D. Sutton

Doctoral Dissertations

This dissertation is comprised of four integral parts. The first part comprises a self-contained new theory of weak fractional differential calculus in one-dimension. The crux of this new theory is the introduction of a weak fractional derivative notion which is a natural generalization of integer order weak derivatives; it also helps to unify multiple existing fractional derivative definitions.

The second part of this work presents three new families of fractional Sobolev spaces and their accompanying theory in one-dimension. The new construction and theory are based on a newly developed notion of weak fractional derivatives, which are natural generalizations of the …

Theoretical And Experimental Application Of Neural Networks In Spaceflight Control Systems, Pavel Galchenko

Doctoral Dissertations

“Spaceflight systems can enable advanced mission concepts that can help expand our understanding of the universe. To achieve the objectives of these missions, spaceflight systems typically leverage guidance and control systems to maintain some desired path and/or orientation of their scientific instrumentation. A deep understanding of the natural dynamics of the environment in which these spaceflight systems operate is required to design control systems capable of achieving the desired scientific objectives. However, mitigating strategies are critically important when these dynamics are unknown or poorly understood and/or modelled. This research introduces two neural network methodologies to control the translation and rotation …

Establishing Pteridine Metabolism In A Breast Cancer Cell Model And Quantification Of Silver Nanoparticle Interactions With Yeast Cells Using Mass Spectrometry, Lindsey Katherine Rasmussen

Doctoral Dissertations

"Recent advances in analytical methods have furthered the quantitative insights that can be gleaned from cellular analyses, with applications in cancer and nanoparticle research. In the first part of the research presented, a recently developed HPLC-MS/MS method was advanced to elucidate pteridine metabolism in an isogenic progressive MCF10A breast cancer cell model. The folate-derived pteridine pathway in breast cells was established by individually dosing cell cultures with folic acid and 15 pteridines. Eight potential pteridine biomarkers in breast cancer cells were identified including pterin and isoxanthopterin, which yielded the first in vitro evidence for the cellular metabolisms behind previously reported …