Physical Sciences and Mathematics Commons^™

Impurity Production And Transport In The Prototype Material Plasma Exposure Experiment, Clyde J. Beers

Doctoral Dissertations

The Prototype Material Plasma Exposure eXperiment (Proto-MPEX) is a linear pulse plasma device at Oak Ridge National Laboratory with the purpose of doing the research and development for the heating concepts on the planned full MPEX device. The goal of MPEX is to perform material studies at fusion relevant conditions. To understand the conditions at the material target for performing plasma-material interaction studies the ion temperature and density, the electron temperature and density, and the particle flux and fluence must be known. Impurities within Proto-MPEX can alter the desired conditions at the material target and need to be understood for …

Electroweak Interactions And Fundamental Symmetries In Light Nuclei With Short-Range Effective Field Theories, Zichao Yang

Doctoral Dissertations

Effective field theories(EFTs) are powerful tools to study nuclear systems that display separation of scales. In this dissertation, we present halo EFT results for the $\beta$-delayed proton emission from $^{11}$Be, and pionless EFT results for three-nucleon systems. Halo nuclei are simply described by a tightly bound core and loosely bound valence nucleons. Using the halo EFT, we calculate the rate of the rare decay $^{11}$Be, which is a well-known halo nucleus, into $^{10}\text{Be} + p +e^- + \bar{\nu}_e$. We assume a shallow $1/2 ^+$ resonance in the $^{10}$Be$-p$ system with an energy consistent with a recent experiment by Ayyad {\it …

Auto-Curation Of Large Evolving Image Datasets, Sara Mousavicheshmehkaboodi

Doctoral Dissertations

Large image collections are becoming common in many fields and offer tantalizing opportunities to transform how research, work, and education are conducted if the information and associated insights could be extracted from them. However, major obstacles to this vision exist. First, image datasets with associated metadata contain errors and need to be cleaned and organized to be easily explored and utilized. Second, such collections typically lack the necessary context or may have missing attributes that need to be recovered. Third, such datasets are domain-specific and require human expert involvement to make the right interpretation of the image content. Fourth, the …

Total Internal Reflection: Applications In Nonlinear Microscopy And Fluorescence Anisotropy, Brandon Colon

Doctoral Dissertations

As technology advances to harness new energies and to create new cures, the sophistication of analysis grows not only in depth but in efficiency. Total internal reflection (TIR) has been coupled to microscopy leveraging its unique optical phenomenon on a breadth of topics. In this dissertation, the work presented will show how TIR was applied in two different instrumental analyses to evaluate two unique and complex systems. The first project features TIR paired with the transient absorption microscopy (TAM), a nonlinear optical technique, to gauge solvent mixing and diffusion in microreactors. Microreactors gained acclaim for their ability to produce high …

Instrument Development For High Sensitivity Size Characterization Of Lipid Vesicles And Other Biological Macromolecules Via Taylor Dispersion Analysis, Meagan Moser

Doctoral Dissertations

Just as humans communicate with other humans, the cells in our bodies communicate with each other through various, often complex, mechanisms. Cell-to-cell transmission of small molecules, lipids, proteins, peptides, or nucleic acids can be mediated by extracellular lipid vesicles called exosomes. Exosomes have been found to play a role in the delivery of regulatory molecules from one cell to another, serving as a universal communication mechanism. Currently, there is an emerging focus on characterizing exosome communication dynamics. Understanding exosome mechanisms of cell-to-cell communication requires accurate measurements of the spatiotemporal and chemical dynamics of exosome secretion. No current analytical approach offers …

Search For New Physics In Rare Higgs Boson Decays With The Cms Detector At The Large Hadron Collider, Himal Acharya

Doctoral Dissertations

A new boson with a mass of 125 GeV was discovered at the large hadron collider (LHC) in July 2012. The properties of this particle are so far consistent with the standard model (SM) expectation. Differences in the Higgs boson decay rates and predicted by the SM might indicate the presence of new particles and forces between them. Particularly, rare exclusive decays of the Higgs boson are a promising laboratory to study physics beyond the standard model. Searches for decays of the Higgs boson into a Z boson and a J/ψ meson or into pairs of J/ψ or Υ mesons …

Application Of Single-Ion Conducting Polymer Electrolytes (Sicpes), Sheng Zhao

Doctoral Dissertations

Polymer electrolytes have been widely studied as a potential candidate for next generation batterie with improved safety and higher energy density. Especially, single-ion conducting polymer electrolytes (SICPEs) have attracted significant attention due to their almost unity lithium-ion transport number, which is believed to help suppress lithium dendrite growth and extend battery cycle life. However, there is still a long way to go before they can be practically applied in batteries, due to their relatively low ionic conductivity at ambient temperature. Therefore, the main goal of this work is to explore various methods that can improve the ionic conductivity of SICPEs …

A Connectivity Framework To Explore The Role Of Anthropogenic Activity And Climate On The Propagation Of Water And Sediment At The Catchment Scale, Christos Giannopoulos

Doctoral Dissertations

Anthropogenic disturbance in intensively managed landscapes (IMLs) has dramatically altered critical zone processes, resulting in fundamental changes in material fluxes. Mitigating the negative effects of anthropogenic disturbance and making informed decisions for optimal placement and assessment of best management practices (BMPs) requires fundamental understanding of how different practices affect the connectivity or lack thereof of governing transport processes and resulting material fluxes across different landscape compartments within the hillslope-channel continuum of IMLs. However, there are no models operating at the event timescale that can accurately predict material flux transport from the hillslope to the catchment scale capturing the spatial and …

Ultrasound-Driven Fabrication Of Nanosized High-Entropy Materials For Heterogeneous Catalysis, Francis Uchenna Okejiri

Doctoral Dissertations

High-entropy materials (HEMs) have emerged as a new class of multi-principal-element materials with great technological prospects. As a unique class of concentrated solid-solution materials, HEMs, formed on the premise of incorporating five or more principal elements into a single crystalline phase, provide an excellent opportunity to access superior catalytic materials ‘hiding’ in the unexplored central regions of a multicomponent phase space of higher orders.

However, the fabrication of HEMs is energy-intensive, typically requiring extreme temperatures and/or pressures under which agglomeration of particles occurs with a commensurate decrease in surface area. For most catalytic applications, non-agglomerated particles with high surface areas …

Production Of Protactinium-229 Via Deuteron Irradiation Of Thorium-232, Naser Burahmah

Doctoral Dissertations

²²⁵Ac [Actinium-225] is a promising radionuclide for targeted alpha therapy of cancer. ²²⁹Pa can lead to the production of ²²⁹Th [Thorium-229] and ²²⁵Ac [Actinium-225]. Deuteron bombardment on natural thorium targets has been investigated to measure cross sections of protactinium isotopes. In this work, ²²⁹Pa [Protactinium-229] excitation function was measured via deuteron energies up to 50 MeV [Mega electron volt] of thin thorium foils. The irradiation took place at Lawrence Berkeley National Laboratory’s (LBNL) 88-Inch Cyclotron. The target processing and analysis were performed at Oak Ridge National Laboratory (ORNL). The target consisted of 4 thin foils …

Production And Adsorption Of Volatile Tellurium Hexafluoride, Stephanie H. Bruffey

Doctoral Dissertations

Research and development supporting the management of off-gases from nuclear fuel reprocessing has historically been focused on the off-gas streams that arise from aqueous reprocessing technology. With the advent of advanced reactor designs off-gas streams arising from advanced reprocessing methodology, such as that of FV [fluoride volatility] processing, also merit consideration. This work focuses on TeF₆ [tellurium hexafluoride], one of the most volatile radioactive compounds produced during FV, and investigates TeF₆ production, measurement, and abatement technologies.

To assist in on-line monitoring of TeF₆ by Fourier-transformed infrared spectroscopy, this work systematically used the ideal gas law and Beer’s …

Analytical Considerations And Methods For Comprehensive Analysis Of Bacterial Phospholipidomics Using Hilic-Ms/Ms, David Thomas Reeves

Doctoral Dissertations

Omics technologies have rapidly evolved over the last half century through vast improvements in efficient extraction methodologies, advances in instrumentation for data collection, and a wide assortment of informatics tools to help deconvolute sample data sets. However, there are still untapped pools of molecules that warrant further analytical attention. As the frontline defense of the cell against exterior influences, the phospholipid membrane is key in structure, defense, and signaling, but current omics studies are only just now catching up to the potential hidden within cellular lipid profiles. Examination of shifts in phospholipid speciation and character could provide researchers with a …

Interfaces And Dynamics In Polymeric 3d Printing And Crystalline Polymer Blends, Stevenson C. Perryman

Doctoral Dissertations

This dissertation presents experimental work that provide a foundation to rationally improve fused filament fabrication (FFF) and immiscible blend compatibilization. Objects generated from additive manufacturing processes, such as FFF, have intrinsic structural weaknesses which include two project specific examples: structural anisotropy and irreversible thermal strain. Due to low adhesion between individual print layers that results in macroscopic defects, the mechanical strength of printed objects when force is applied perpendicular to the build orientation is drastically reduced. In the first dissertation chapter, we present a protocol to produce interlayer covalent bonds by depositing multi-amine additives between individual layers of a print …

Exploring The Potential Of Ionothermal Syntheses For High-Performance Lithium-Ion Battery Anode Materials, Runming Tao

Doctoral Dissertations

Renewable energy storage systems are regarded as the solution to the environmental and energy crises caused by the burning of fossil fuels in vehicles. Unfortunately, owning to the limits to the electrochemical performance of the current anode materials, lithium-ion batteries [LIBs] are still lacking strength in the charging rate-capability and thereby cannot fulfill future application requirements in electrical vehicles [EVs].

Particularly, graphite with a high theoretical specific capacity of 372 mAh/g is unsuitable for EVs due to the safety concerns of passivating solid-electrolyte interphase [SEI] resulted from the low operation potential of 0.1 V versus Li/Li⁺. The other …

Influence Of Physical Variability Of Highly Weathered Sedimentary Rock On Nitrate In Area 3 Of The Enigma Field Research Site At Y-12, Erin Kelly

Masters Theses

Uranium processing and waste storage in unlined waste ponds leached contaminants into the groundwater at Y-12, Oak Ridge, Tennessee, from the 1950s to 1980s. Groundwater wells near the S-3 ponds have had the highest nitrate concentrations of groundwater anywhere in the world (>10,000 mg/L). For reference, the maximum contaminant level for nitrate in drinking water set by the U.S. Environmental Protection Agency is 10 mg/L. Since 2012, the ENIGMA (Ecosystems and Networks Integrated with Genes and Molecular Assemblies) group has been characterizing, monitoring, and conducting field experiments to understand the interactions between contaminants, microbes, and the subsurface. The goals …

Accelerating Dynamical Density Response Code On Summit And Its Application For Computing The Density Response Function Of Vanadium Sesquioxide, Wileam Y. Phan

Masters Theses

This thesis details the process of porting the Eguiluz group dynamical density response computational platform to the hybrid CPU+GPU environment at the Summit supercomputer at Oak Ridge National Laboratory (ORNL) Leadership Computing Center. The baseline CPU-only version is a Gordon Bell-winning platform within the formally-exact time-dependent density functional theory (TD-DFT) framework using the linearly augmented plane wave (LAPW) basis set. The code is accelerated using a combination of the OpenACC programming model and GPU libraries -- namely, the Matrix Algebra for GPU and Multicore Architectures (MAGMA) library -- as well as exploiting the sparsity pattern of the matrices involved in …

Evaluation Of Robust Deep Learning Pipelines Targeting Low Swap Edge Deployment, David Carter Cornett

Masters Theses

The deep learning technique of convolutional neural networks (CNNs) has greatly advanced the state-of-the-art for computer vision tasks such as image classification and object detection. These solutions rely on large systems leveraging wattage-hungry GPUs to provide the computational power to achieve such performance. However, the size, weight and power (SWaP) requirements of these conventional GPU-based deep learning systems are not suitable when a solution requires deployment to so called "Edge" environments such as autonomous vehicles, unmanned aerial vehicles (UAVs) and smart security cameras.

The objective of this work is to benchmark FPGA-based alternatives to conventional GPU systems that have the …

Vorticity And Kinematic Analysis Of The Cordillera Blanca Shear Zone, Peru, Corey Flynn

Masters Theses

Quantitative vorticity analyses applied to naturally deformed rocks are essential for studying kinematics in shear zones and can be performed using a range of methods, which have been developed over the last two decades. An understanding of vorticity, or the contribution of pure vs. simple shear, can permit for the modeling of shear zone development in a deformed region. Recent (5 Ma-present) deformation in the Cordillera Blanca Shear Zone of the Peruvian Andes has exposed sections of the middle crust at the surface, allowing for observation and analysis of shear zone processes. Oblique grain-shape (OGS) analysis and crystallographic vorticity analysis …

Designing Polymer Materials For Improved Additive Manufacturing, Kaizhong Guan

Masters Theses

Currently, two of the most used additive manufacturing methods for polymers are selective laser sintering (SLS) and fused filament fabrication (FFF). Although at high market size, they both have imperfections. The materials for SLS are limited and the objects manufactured by FFF existing anisotropic behavior. Targeting on these drawbacks, this thesis has proposed a novel method to prepare polypropylene (PP) microsphere which is suitable for SLS with low cost and scalable potential; and a novel material with polycarbonate as matrix that has shown a decrease in anisotropy after FFF printing.

The PP microsphere in this thesis was prepared via liquid-liquid …

Using Applied Field, Pressure, And Light To Control Magnetic States Of Materials, Amanda J. Clune

Doctoral Dissertations

Due to their low energy scales, flexible architectures, and unique exchange pathways, molecule-based multiferroics host a number of unique properties and phase transitions under external stimuli. In this dissertation, we reveal the magnetic- and pressure-driven transitions in [(CH₃)₂NH₂]Mn(HCOO)₃ and (NH₄)₂[FeCl₅(H₂O)], present a detailed investigation of these materials away from standard equilibrium phases, and develop rich two- and three-dimensional phase diagrams.

The first platform for exploring phase transitions is [(CH₃)₂NH₂]Mn(HCOO)₃. This type-I multiferroic contains Mn centers linked by …

Development Of Catalysts For The Ring-Opening Polymerization Of Cyclic Esters And The Coordination-Insertion Polymerization Of Olefins, Alicia Doerr

Doctoral Dissertations

Over the past few decades, interest in the design and synthesis of tailorable polymeric materials has grown due to the well documented correlation between structure, property, and function. However, in order to obtain polymers with desired microstructures, well controlled synthetic methods are needed. Therefore, the continued investigation of homogeneous, single-site polymerization catalysts is important to gain a deeper understanding of how systematic modifications of polymerization conditions, ligand scaffold, metal center identity, cocatalyst or activator identity, etc. affect the catalytic activity, selectivity, and/or polymer topology obtained when using these catalysts for the polymerization of a variety of monomers. This dissertation will …

Interdomain Route Leak Mitigation: A Pragmatic Approach, Benjamin Tyler Mcdaniel

Doctoral Dissertations

The Internet has grown to support many vital functions, but it is not administered by any central authority. Rather, the many smaller networks that make up the Internet - called Autonomous Systems (ASes) - independently manage their own distinct host address space and routing policy. Routers at the borders between ASes exchange information about how to reach remote IP prefixes with neighboring networks over the control plane with the Border Gateway Protocol (BGP). This inter-AS communication connects hosts across AS boundaries to build the illusion of one large, unified global network - the Internet. Unfortunately, BGP is a dated protocol …

Characterization Techniques And Cation Exchange Membrane For Non-Aqueous Redox Flow Battery, Kun Lou

Doctoral Dissertations

The motivation of this work comes from one of the major problems of emerging non-aqueous flow battery (NAFB) that a separator or membrane which facilitates conductivity and blocks redox species crossover does not exist. Although many aspects of principles can be mirrored from mature fuel cell and aqueous flow battery, it is found that some well-defined membrane properties in aqueous systems such as swelling, transport and interactions are different in non-aqueous solvents to some extent. However, the approach of this work does follow the way perfluorosulfonate ion exchange membrane (PFSA) facilitated development of fuel cell and aqueous flow battery in …

In Situ Cosmogenic Backgrounds In The Majorana Demonstrator, Andrew Lopez

Doctoral Dissertations

Neutrino-less double-beta decay is a proposed type of radioactive decay that, if observed, could answer several outstanding physics questions, such as "Is the neutrino its own antiparticle otherwise known as a Majorana particle?", "What is the mass of the neutrino?", and "What is the neutrino mass hierarchy?" As technology and experimental techniques improve, the sensitivity of experiments looking for rare events becomes more dependent on the backgrounds. Some of these backgrounds can be reduced using shielding techniques such as implementing a veto system, selecting radiopure components, and conducting the experiment deep underground. However some amount of cosmogenically induced backgrounds remain …

Stimuli-Responsive Polyelectrolytes: Thermosensitive Zwitterionic Polymers And Charged Shape-Changing Star Molecular Bottlebrushes, Evan M. Lewoczko

Doctoral Dissertations

This dissertation work investigated two classes of stimuli-responsive polyelectrolytes: thermosensitive zwitterionic poly(sulfobetaine methacrylate)s (PSBMAs) and charged shape-changing star molecular bottlebrushes (SMBs). While zwitterionic polymers are explored for numerous applications, their structure-solution behavior relationship was poorly understood. The first part of this dissertation focused on the effects of N-substituents of PSBMAs on their behavior in water. A series of PSBMAs were synthesized, with systematically changed N-substituents, including symmetric N-n-alkyl substituents of various lengths and asymmetric N-substituents comprising one methyl and either one cyclohexyl, phenyl or 2-hydroxyethyl group. The behavior of PSBMAs with symmetric N-substituents …

Fabrication Of Specialized Scintillators For Nuclear Security Applications, Cordell James Delzer

Doctoral Dissertations

Radiation detectors are important for a variety of fields including medical imaging, oil drilling, and nuclear security. Within nuclear security, they can serve a multitude of purposes whether that be imaging, localization, isotopic identification, or even just activity measurement. Even without directly seeing a nuclear material it is often able to notice their existence without a detector. Scintillators make up an important part of these detectors due to their large intrinsic efficiency, low cost, large volume, and relatively low upkeep. Due to the importance of the large number of purposes these scintillators may be used for, it can often be …

Neutron Star Structure From Electromagnetic And Gravitational Wave Observations, Mohammad Al-Mamun

Doctoral Dissertations

Neutron star (NS) research primarily relied on spectral observations before the first gravitational wave (GW) detection from the binary neutron star merger was done by the LIGO-VIRGO collaboration. The GW170817 merger event provided mass and tidal deformability Λ˜ constraints for neutron stars. This project used these constraints and associated them with the constraints made by the NS X-ray observations to construct neutron star models. Selective X-ray sources were used in this work, which showed reliable uncertainties from their previous uses. The mass-radius constraints from the electromagnetic (EM) observations were constructed from seven quiescent low-mass X-ray binaries (QLMXBs), three photospheric radius …

Extending Core-Collapse Supernova Simulations: From The Onset Of Explosion To Shock Breakout, Michael A. Sandoval

Doctoral Dissertations

A core-collapse supernova (CCSN) is the result of a massive star’s core collapsing due to the inability of electron degeneracy pressure to provide sufficient support against gravity. Currently, there is a disconnect between when most three-dimensional CCSN simulations end (seconds) and when the explosion would reach the surface of the star and become visible (hours to days). We present three-dimensional simulations of CCSNe using the FLASH code that follow the progression of the explosion to the stellar surface, starting from neutrino-radiation hydrodynamic simulations of the first seconds performed with the Chimera code. We consider a 9.6-M_⊙ zero-metallicity progenitor, starting …

Development Of Density-Functional Tight-Binding Methods For Chemical Energy Science, Quan Vuong

Doctoral Dissertations

Density-functional tight-binding (DFTB) method is an approximation to the popular first-principles density functional theory (DFT) method. Recently, DFTB has gained considerable visibility due to its inexpensive computational requirements that confer it the capability of sustaining long-timescale reactive molecular dynamics (MD) simulations while providing an explicit description of electronic structure at all time steps. This capability allows the description of bond formation and breaking processes, as well as charge polarization and charge transfer phenomena, with accuracy and transferability beyond comparable classical reactive force fields. It has thus been employed successfully in the simulation of many complex chemical processes. However, its applications …

Roughening Interfaces In Spatial Population Dynamics, Clarisa E. Castillo

Doctoral Dissertations

The spatial structure and geometry of biological systems can have a strong effect on that system’s evolutionary dynamics. In particular, spatially structured populations may invade one another, giving rise to invasion fronts that may exhibit qualitatively different evolutionary dynamics in different dimensions or geometric configurations. For examples of invasion fronts arising in nature, one might think of a thin layer of bacteria cells growing on a Petri dish, an animal species expanding into new territory, or a cancerous tumor growing into and competing with the surrounding healthy tissue. Perhaps the most well-studied class of invasion fronts in population genetics is …