Physical Sciences and Mathematics Commons^™

Static And Dynamic State Estimation Applications In Power Systems Protection And Control Engineering, Ibukunoluwa Olayemi Korede

Doctoral Dissertations

The developed methodologies are proposed to serve as support for control centers and fault analysis engineers. These approaches provide a dependable and effective means of pinpointing and resolving faults, which ultimately enhances power grid reliability. The algorithm uses the Least Absolute Value (LAV) method to estimate the augmented states of the PCB, enabling supervisory monitoring of the system. In addition, the application of statistical analysis based on projection statistics of the system Jacobian as a virtual sensor to detect faults on transmission lines. This approach is particularly valuable for detecting anomalies in transmission line data, such as bad data or …

Atomic-Level Mechanisms Of Fast Relaxation In Metallic Glasses, Leo W. Zella

Doctoral Dissertations

Glasses are ubiquitous in daily life and have unique properties which are a consequence of the underlying disordered structure. By understanding the fundamental processes that govern these properties, we can modify glasses for desired applications. Key to understanding the structure-dynamics relationship in glasses is the variety of relaxation processes that exist below the glass transition temperature. Though these relaxations are well characterized with macroscopic experimental techniques, the microscopic nature of these relaxations is difficult to elucidate with experimental tools due to the requirements of timescale and spatial resolution. There remain many questions regarding the microscopic nature of relaxation in glass …

Exploring Soil Microbial Dynamics In Southern Appalachian Forests: A Systems Biology Approach To Prescribed Fire Impacts, Saad Abd Ar Rafie

Doctoral Dissertations

Prescribed fires in Southern Appalachian forests are vital in ecosystem management and wildfire risk mitigation. However, understanding the intricate dynamics between these fires, soil microbial communities, and overall ecosystem health remains challenging. This dissertation addresses this knowledge gap by exploring selected aspects of this complex relationship across three interconnected chapters.

The first chapter investigates the immediate effects of prescribed fires on soil microbial communities. It reveals subtle shifts in porewater chemistry and significant increases in microbial species richness. These findings offer valuable insights into the interplay between soil properties and microbial responses during the early stages following a prescribed fire. …

Exact Models, Heuristics, And Supervised Learning Approaches For Vehicle Routing Problems, Zefeng Lyu

Doctoral Dissertations

This dissertation presents contributions to the field of vehicle routing problems by utilizing exact methods, heuristic approaches, and the integration of machine learning with traditional algorithms. The research is organized into three main chapters, each dedicated to a specific routing problem and a unique methodology. The first chapter addresses the Pickup and Delivery Problem with Transshipments and Time Windows, a variant that permits product transfers between vehicles to enhance logistics flexibility and reduce costs. To solve this problem, we propose an efficient mixed-integer linear programming model that has been shown to outperform existing ones. The second chapter discusses a practical …

The Synthesis And Optimization Of Sulfide And Halide Solid Electrolytes For All Solid-State Batteries, Teerth Brahmbhatt

Doctoral Dissertations

Countries and organizations around the world have established ambitious targets to transition away from fossil fuel-based energy sources and devices. The transition is focused on cleaning up power generation by converting coal, natural gas, and oil-based power generation to renewables and nuclear energy. Decarbonizing other sectors of energy use, transportation for example, will require broader electrification. To drive this move away from fossil fuel powered transportation will require portable energy storage devices. Conventional lithium-ion batteries are a popular candidate to lead this shift. However, these batteries often rely on flammable liquid electrolytes and carbon anodes that suffer from low energy …

Heat Pump Integrated Thermal Storage For Building Demand Response And Decarbonization, Sara Sultan

Doctoral Dissertations

This work presents a novel thermal energy storage (TES) integrated with existing residential heat pump (HP). The research focuses on controls and configuration for energy, demand, cost and carbon emissions savings for residential buildings’ energy consumption. This work will be significant in developing a framework especially for reduced energy demand and carbon emissions associated with space heating and cooling in residential buildings. Since buildings account for about 40% primary energy consumption in U.S. and half of that is associated with HP.

An existing air source HP in integrated with a phase change material (PCM) based TES via active configuration where …

Space-Angle Discontinuous Galerkin Finite Element Method For Radiative Transfer Equation, Hang Wang

Doctoral Dissertations

Radiative transfer theory describes the interaction of radiation with scattering and absorbing media. It has applications in neutron transport, atmospheric physics, heat transfer, molecular imaging, and others. In steady state, the radiative transfer equation is an integro-differential equation of five independent variables, which are 3 dimensions in space and 2 dimensions in the angular direction. This high dimensionality and the presence of the integral term present serious challenges when solving the equation numerically. Over the past 50 years, several techniques for solving the radiative transfer equation (RTE) have been introduced. These include, but are certainly not limited to, Monte Carlo …

Fabrication, Measurements, And Modeling Of Semiconductor Radiation Detectors For Imaging And Detector Response Functions, Corey David Ahl

Doctoral Dissertations

In the first part of this dissertation, we cover the development of a diamond semiconductor alpha-tagging sensor for associated particle imaging to solve challenges with currently employed scintillators. The alpha-tagging sensor is a double-sided strip detector made from polycrystalline CVD diamond. The performance goals of the alpha-tagging sensor are 700-picosecond timing resolution and 0.5 mm spatial resolution. A literature review summarizes the methodology, goals, and challenges in associated particle imaging. The history and current state of alpha-tagging sensors, followed by the properties of diamond semiconductors are discussed to close the literature review. The materials and methods used to calibrate the …

Total Absorption Spectroscopy Of Mo-106 And Tc-106, Michael Cooper

Doctoral Dissertations

Total absorption spectroscopy is a method of gamma-ray spectroscopy that has gained prominence in the past several decades, as nuclear data revisions are performed on older nuclear data, which is often incomplete. A strong understanding of underlying nuclear data, particularly fission and beta decay data, is essential for nuclear reactors and nuclear fuel decay heat. This PhD work involves the analysis of fission fragments 106Mo [Mo-106] and 106Tc [Tc-106]. These neutron rich isotopes contribute upwards of 6% of the cumulative fission yield of 241Pu [Pu-241] fission, and 4% of 239Pu [Pu-239] fission. Prior data for these two fission fragments only …

Understanding And Simulating Wildfire Changes Using Advanced Statical And Process-Oriented Models, Rongyun Tang

Doctoral Dissertations

This study aims to investigate the spatiotemporal dynamic of global wildfires, their underlying climate-driving mechanisms, and their predictability by utilizing multiple data sources (both process-based model simulations and satellite-based observations) and multiple analytical methods including machine learning techniques (MLTs).

We first explored the global wildfire interannual variability (IAV) and its climate sensitivity across nine biomes from 1997 to 2018, leveraging the state-of-art U.S. Department of Energy’s Energy Exascale Earth System Model (E3SM) land component (ELM-v1) simulations with six sets of climate forcings. Results indicate that 1) ELM simulations could reproduce the IAV of wildfire in terms of magnitudes, distribution, bio-regional …

Towards Reduced-Order Model Accelerated Optimization For Aerodynamic Design, Andrew L. Kaminsky

Doctoral Dissertations

The adoption of mathematically formal simulation-based optimization approaches within aerodynamic design depends upon a delicate balance of affordability and accessibility. Techniques are needed to accelerate the simulation-based optimization process, but they must remain approachable enough for the implementation time to not eliminate the cost savings or act as a barrier to adoption.

This dissertation introduces a reduced-order model technique for accelerating fixed-point iterative solvers (e.g. such as those employed to solve primal equations, sensitivity equations, design equations, and their combination). The reduced-order model-based acceleration technique collects snapshots of early iteration (pre-convergent) solutions and residuals and then uses them to project …

Functional Bottlebrush Polymer Additives For Thin Films And Coatings, Travis S. Laws

Doctoral Dissertations

Bottlebrush polymers are a class of highly branched polymers consisting of polymeric side chains that are densely grafted to a linear backbone. Their highly branched architecture results in surface enrichment across a broad range of materials. The goal of my research has been centered around the design of functional bottlebrush polymers and their use as surface active additives in blend films and coatings.

In the first chapter, we examine the segregation behavior of polystyrene bottlebrushes that are blended with linear polystyrene. We systematically vary the lengths of the bottlebrush backbone (Nb), side-chain (Nsc), and the linear matrix (Nm) in order …

How Dynamic Bond Results In The Unique Viscoelastic Behavior Of The Associating Polymers, Sirui Ge

Doctoral Dissertations

Associating polymer is a special kind of polymer possessing transient reversible bonds in addition to the conventional covalent bonds. The reversible bonds provide unique dynamics and fascinating viscoelastic properties, resulting in attractive applications for these polymers, such as self-healing and shape memory materials. Despite many years of studies, the understanding of dynamics of polymers with reversible bonds, especially on molecular level, is still in the rudimentary stage, preventing the rational design of the potential novel functional materials based on associating polymers. In this dissertation, we provide a detailed and quantitative understanding of the dynamics and viscoelastic properties of associating polymers. …

Direct Calculation Of Configurational Entropy: Pair Correlation Functions And Disorder, Clifton C. Sluss

Doctoral Dissertations

Techniques such as classical molecular dynamics [MD] simulation provide ready access to the thermodynamic data of model material systems. However, the calculation of the Helmholtz and Gibbs free energies remains a difficult task due to the tedious nature of extracting accurate values of the excess entropy from MD simulation data. Thermodynamic integration, a common technique for the calculation of entropy requires numerous simulations across a range of temperatures. Alternative approaches to the direct calculation of entropy based on functionals of pair correlation functions [PCF] have been developed over the years. This work builds upon the functional approach tradition by extending …

Polynorbornenes For Advanced Applications And Processes, Xinyi Wang

Doctoral Dissertations

Polynorbornenes have dramatically different properties and various applications depending on their chemical structures. The modular nature of norbornene-based systems provides a facile route toward synthesizing diverse polymeric materials, thus making them ideal materials for systematic structure-property investigations. Herein, their application as gas separation membranes and the correlation between their gas-transport properties and polymer structures will be investigated. Though many valuable correlations between gas-permeability and polynorbornene structure have been studied previously, many of these efforts have focused heavily on designing materials with various chemical structures to achieve high permeabilities. In contrast, the influence of molecular structure on: a) polynorbornene chain packing …

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. …

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 …

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 …

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 …

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 …

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 …

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 …

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 …

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 …

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 …

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 …

Collector Probe Measurements Of Sol Impurity Accumulation And The Implications Of Sol Flows On The Accumulation Amount, Shawn Zamperini

Doctoral Dissertations

A collector probe in its simplest form is a rod inserted into a plasma so that impurities are deposited onto it. These probes are then removed and analyzed to determine the deposition profile both along the length of probe and across the width of it. This dissertation covers a series of collector probes experiments and accompanying interpretive modelling all with the main goal of providing evidence for long-hypothesized near scrape-off layer (SOL) accumulation of impurities that can lead to efficient core contamination. The structure of this dissertation is as follows. A brief outline of fusion energy and why we need …

Local Dynamics And Atomic-Level Structures In Metallic Liquids And Glasses, Zengquan Wang

Doctoral Dissertations

Structure and dynamics at the atomic level in metallic glasses and liquids are poorly understood when compared to the crystalline solids. For instance, even though viscosity is the basic property of liquids, its atomistic origin is not well elucidated. Also, the physics of the fragility of liquids and the crossover phenomenon is far from full understanding. Earlier, through molecular dynamics (MD) simulations a direct connection was found between the timescale describing the macroscopic viscous behavior, the Maxwell relaxation time (t_M = h/G_∞, h is the shear viscosity and G_∞ is the high-frequency shear modulus) and …

Optimal Communication Structures For Concurrent Computing, Andrii Berdnikov

Doctoral Dissertations

This research focuses on communicative solvers that run concurrently and exchange information to improve performance. This “team of solvers” enables individual algorithms to communicate information regarding their progress and intermediate solutions, and allows them to synchronize memory structures with more “successful” counterparts. The result is that fewer nodes spend computational resources on “struggling” processes. The research is focused on optimization of communication structures that maximize algorithmic efficiency using the theoretical framework of Markov chains. Existing research addressing communication between the cooperative solvers on parallel systems lacks generality: Most studies consider a limited number of communication topologies and strategies, while the …