Engineering Commons^™

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 …

3d Experimental Studies Of Temperature And Crystallographic Effects On Creep And Strength In Rock Salt, Amirsalar Moslehy

Doctoral Dissertations

Salt domes utilization as storage reservoirs in the energy sector has led to extensive studies on rock salt’s mechanical and geothermal behavior. These important facilities’ safety and serviceability rely on understanding rock salt’s compressive strength and creep behavior under various loading directions, water contents, in-situ stresses, and temperatures. Despite numerous studies on rock salt’s mechanical behavior in the literature, there are still many unanswered questions about rock salt’s behavior. This dissertation was aimed at utilizing state-of-the-art experimental techniques such as 3D synchrotron micro-computed tomography (SMT) and 3D x-ray diffraction (3DXRD) along with hundreds of compression and creep experiments to enhance …

Additive Manufacturing Of Magnetic Materials For Electric Motor And Generator Applications, Haobo Wang

Doctoral Dissertations

This work details the research into the 3D Printing, also known as Additive Manufacturing (AM), of both impermanent and permanent magnets. This work also details the research in enabling such AM magnets in electrical machine applications, primarily motors and generators. The AM processes of many types of magnets are described in detail. The material properties of such AM magnets are also described. The two main types of AM magnets that are discussed in detail are AM NdFeB, and AM Silicon Steel. The implementation of AM NdFeB as rotor magnets, and the implementation of AM Silicon Steel as rotor and stator …

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 …

Non-Collinear Magnetic Textures Studied By Neutron Scattering, Nan Tang

Doctoral Dissertations

Non-collinear magnetic structures, where the magnetic moments do not align along a single axis, can lead to interesting physical phenomena and potential device applications. In this dissertation, two specific non-collinear magnetic textures are studied which includes soft/hard bilayer and skyrmions. Soft/hard magnetic bilayer thin films have been widely used in data storage technologies and permanent magnet applications. Here, we use polarized neutron reflectometry (PNR) to study magnetic configuration in soft-hard bilayer heterostructure thin films designed with different sample geometry and material properties under a range of temperatures and fields. Comparing the PNR results to the micromagnetic simulations reveals that the …

Fabrication, Thermophysical, And Mechanical Properties Of Cermet And Cercer Fuel Composites For Nuclear Thermal Propulsion, Neal D. Gaffin

Doctoral Dissertations

Nuclear thermal propulsion (NTP) utilizes nuclear fission to double the efficiency of
in-space propulsion systems compared with traditional combustion rocket systems.
NTP systems are limited primarily by the fuel material choice, due to the extreme
conditions they will need to endure, including temperatures up to 3000 K, multiple
thermal cycles with rapid heating and cooling, exposure to hot flowing hydrogen,
large thermal gradients, and high neutron flux. Particle based fuels, namely ceramic-
metallic (cermet) and ceramic-ceramic (cercer) composites are both promising fuel
element material candidates for NTP. Given the high temperature nature, these
materials are difficult to fabricate and very …

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 …

Characterization And Modeling Of H- Primary Stripper Foils For The Spallation Neutron Source, Leo Vernon Saturday Iii

Doctoral Dissertations

The Spallation Neutron Source (SNS) is currently preparing for a Proton Power Upgrade project that will increase the operating power of the beamline. Due to this increase in power, a major concern is whether the current stripper foils will be able to withstand the higher power beam. Here, we analyze the current nanocrystalline diamond as well as microcrystalline diamond stripper foils in order to assess their ability to withstand the higher power beamline. In this work we assess the samples’ room temperature thermal conductivity, as well as other material constants, develop a method for in situ analysis of stripper foil …

Optimizing Aqueous Processing Of Nickel-Rich Cathode Material In Ultra-Thick Lithium-Ion Batteries, Alexander J. Kukay

Doctoral Dissertations

Lithium-ion batteries (LIBs) have been an instrumental technology since their commercialization in the 1990s. Although much progress has been made in terms of cost and efficiency of production, several challenges remain. Notably, as LIB technology continues to be applied to the transportation sector for electrified mobility in the form of electric vehicles, the question of production ethics and environmental sustainability becomes paramount. The aim of this dissertation is to address some of these concerns in the form of cathode processing techniques. This dissertation focuses on optimization of aqueous processing applied to cathode active materials. First, a study demonstrating the feasibility …

Understanding Colloidal And Surface Phenomena To Manufacture Energy-Dense Lithium-Ion And Solid-State Battery Cathodes, William B. Hawley

Doctoral Dissertations

Lithium-ion batteries (LIB) are a technology that have been commercialized since 1991 for portable electronics. Research and development have dramatically reduced the cost of LIBs over the past ten years such that it is becoming more feasible that electric vehicles utilizing LIBs can compete with vehicles using the internal combustion engine. To continue to reduce the cost of LIBs, novel cathode processing strategies must be pursued and the impact of these strategies on the cathode’s microstructure and performance must be well-understood. Moving beyond LIBs, solid-state lithium metal batteries (SSLMBs) are a safer, more energy-dense alternative due to non-flammable, thin solid …

Next Generation Energy Storage: An Examination Of Lignin-Based Carbon Composite Anodes For Sodium Ion Batteries Through Modeling And Simulation, Dayton G. Kizzire

Doctoral Dissertations

The current energy market relies heavily on fossil fuel sources; however, we are amidst a momentous shift towards wind, solar, and water based renewable energies. Large-scale energy storage allows renewable energy to be stored and supply the grid with consistent energy despite changing weather conditions. Improvements to large-scale energy storage in terms of cost, safety, and sustainability are crucial to wide-scale adoption. A promising candidate for large-scale energy storage are sodium-ion batteries using hard carbon anodes. Sodium is globally available, cheaper, and more sustainable than lithium, but requires a different anode structure. A sustainable hard carbon anode with excellent Li-ion …

Local Structure And Dynamic Studies Of Mixed Ch4-Co2 Gas Hydrates Via Computational Simulation And Neutron Scattering, Bernadette Rita Cladek

Doctoral Dissertations

Permeated throughout the ocean floor and arctic permafrost, natural gas hydrates contain an estimated 3000 trillion cubic meters, over three times that of traditional shale deposits, of CH₄ that is accessible for extraction. Gas hydrates are a crystal structure in which water molecules form a cage network, the host, through hydrogen bonds while trapping a guest molecule such as CH₄ in the cavities. These compounds form naturally where the appropriate low temperature and high pressure conditions occur. A promising and tested method of methane recovery is through exchange with CO₂, which energetically takes place of the …

Characterization Of A Digital Holography Diagnostic For In Situ Erosion Measurement Of Plasma-Facing Components In Fusion Devices, Cary Dean Smith

Doctoral Dissertations

Fusion energy devices, particularly tokamaks, face the challenge of interior surface damage occurring over time from the heat flux of the high-energy plasma they generate. The ability to monitor the rate of surface modification is therefore imperative, but to date no proven technique exists for real-time erosion measurement of planar regions of interest on plasma-facing components in fusion devices. In order to fill this diagnostic gap, a digital holography system has been established at ORNL [Oak Ridge National Laboratory] for the purpose of measuring the erosion effects of plasma-material interaction in situ.

The diagnostic has been designed with the …

Exploration Of Thin Films For Neuromorphic, Electrofluidic, And Magneto-Plasmonic Applications, Walker L. Boldman University Of Tennessee Knoxville

Doctoral Dissertations

Due to the limit in computing power arising from the Von Neumann bottleneck, computational devices are being developed that mimic neuro-biological processing in the brain by correlating the device characteristics with the synaptic weight of neurons. We demonstrate a platform that combines ionic liquid gating of amorphous indium gallium zinc oxide (aIGZO) thin film transistors and electrowetting for programmable placement/connectivity of the of the ionic liquid. In this platform, both short term potentiation (STP) and long-term potentiation (LTP) are realized via electrostatic and electrochemical doping of the aIGZO, respectively, and pulsed bias measurements are demonstrated for low power considerations. Using …

Novel Fission Track Detection For Identification And Characterization Of Special Nuclear Materials, Jonathan Allen Gill

Doctoral Dissertations

Fission track detection and analysis is used primarily in nuclear safeguards to identify special nuclear material. Identification of isotopic ratios is a crucial step in understanding the intended use of nuclear material and the nature of the materials production cycle. Unfortunately, this methodology uses etchable track detectors that require significant expertise and intensive labor to process.

This study developed a novel method using lithium fluoride (LiF) as a fluorescing nuclear track detector to conduct fission track analysis for isotopic prediction of uranium enrichment. Individual latent tracks produced by fission products were observed in LiF for the first time. These tracks …

Correlating Long-Term Lithium Ion Battery Performance With Solid Electrolyte Interphase (Sei) Layer Properties, Seong Jin An

Doctoral Dissertations

This study was conducted to understand effects of some of key factors (i.e., anode surface properties, formation cycling conditions, and electrolyte conditions) on solid electrolyte interphase (SEI) formation in lithium ion batteries (LIBs) and the battery cycle life. The SEI layer passivates electrode surfaces and prevents electron transfer and electrolyte diffusion through it while allowing lithium ion diffusion, which is essential for stable reversible capacities. It also influences initial capacity loss, self-discharge, cycle life, rate capability and safety. Thus, SEI layer formation and electrochemical stability are primary topics in LIB development. This research involves experiments and discussions on key factors …

Excitations Of Quasi-Particles In Nanostructured Systems, Jingxuan Ge

Doctoral Dissertations

The excitation of quasiparticles, like the investigated excitons and plasmons here, are the optically most prominent responses of materials. In nanostructured system, the sample quality is crucial for quantitative investigations of these optical excitations. We used electron beam evaporation, nano-second laser dewetting, and electron metalorganic chemical vapor deposition techniques to prepare well-defined and “clean” transmission electron microscopy (TEM) samples. Electron energy-loss microscopy (EELS) performed in STEM mode was employed to investigate the structural and electro-optical properties. Quantifit software was used to analyze the EELS spectra quantitatively in terms of inelastic scattering probability, energy and lifetime.

We found that the ferroplasmon …

Surface Energy In Bond-Counting Models On Bravais And Non-Bravais Lattices, Tim Ryan Krumwiede

Doctoral Dissertations

Continuum models in computational material science require the choice of a surface energy function, based on properties of the material of interest. This work shows how to use atomistic bond-counting models and crystal geometry to inform this choice. We will examine some of the difficulties that arise in the comparison between these models due to differing types of truncation. New crystal geometry methods are required when considering materials with non-Bravais lattice structure, resulting in a multi-valued surface energy. These methods will then be presented in the context of the two-dimensional material graphene in a way that correctly predicts its equilibrium …

Temperature Dependent Mechanical Behavior Of Solid Acids, Ryan Scott Ginder

Doctoral Dissertations

Existing literature data on the creep behavior of superprotonic solid acids, which is important for their use in fuel cell applications, is scant and unreliable. Steady state creep behavior for the model material system cesium hydrogen sulfate (CHS) is probed using nanoindentation and corroborated using uniaxial compression testing. To facilitate nanoindentation creep result interpretation, a radial flow model of power law indentation creep is developed. This model is compared with the related model from Bower, et. al. for several pre-existing literature datasets showing that the nonlinear, steady state creep law underpinning both appears valid for power law indentation creep.

Strategies For Controlling Bulk Heterojunction Morphology, Zach Daniel Seibers

Doctoral Dissertations

Organic photovoltaic devices have been extensively studied as a means to produce sustainable energy. However, the performance of organic-photovoltaic (OPV) devices is dependent upon a number of factors including the morphology of the active layer, device architecture, and processing conditions. Recent research has indicated that fullerenes in the bulk heterojunction are entropically driven to the silicon and air interfaces upon crystallization of P3HT, which occurs during thermal annealing. The first chapter of this research focuses on investigating the structure and function of end-tethered poly(3-hexylthiophene) chains to a transparent electrode as an anode buffer layer. Neutron reactivity reveals that these P3HT …

Characterizing Local Order And Physical Properties Of Rare Earth Complex Oxides, Thomas Jacob Shamblin

Doctoral Dissertations

With more than 500 compositions, materials possessing the pyrochlore structure have a myriad of technological applications and physical phenomena. Three of the most noteworthy properties are the structure’s ability to resist amorphization making it a possible host matrix for spent nuclear fuel, its exotic magnetic properties arising from geometric frustration, and fast ionic conductivity for solid-oxide fuel cell applications. This work focuses on these three aspects of the pyrochlore’s many potential uses. Structural characterization revealed that pyrochlore-type oxides have a tendency to disorder from a high symmetry cubic structure to a lower symmetry orthorhombic arrangement in response to a variety …

Lignin-Based Li-Ion Anode Materials Synthesized From Low-Cost Renewable Resources, Nicholas William Mcnutt

Doctoral Dissertations

In today’s world, the demand for novel methods of energy storage is increasing rapidly, particularly with the rise of portable electronic devices, electric vehicles, and the personal consumption and storage of solar energy. While other technologies have arguably improved at a rate that is exponential in accordance with Moore’s law, battery technology has lagged behind largely due to the difficulty in devising new electric storage systems that are simultaneously high performing, inexpensive, and safe.

In order to tackle these challenges, novel Li-ion battery anodes have been developed at Oak Ridge National Laboratory that are made from lignin, a low-cost, renewable …

Pulsed-Laser Induced Dewetting Of Metallic Nanostructures, Christopher Aidan Hartnett

Doctoral Dissertations

This dissertation explores the fluid dynamics of nano and microscale liquid metal filaments, with an emphasis on experimentally investigating the influences and causes of filament breakup and metallic nanostructure formation. Understanding and manipulating the liquid state properties of materials, especially metals, have the potential to advance the development of future technology, particularly nanoscale technology. The combination of top-down nanofabrication techniques with bottom-up, intrinsic self-assembly mechanisms are a powerful fusion, because it permits new and unusual nanostructures to be created, whilst revealing interesting nanoscale physics.

In fluid dynamics, wetting and dewetting is the spontaneous natural process that occurs when a liquid …

Development And Improvement Of Cerium Activated Gadolinium Gallium Aluminum Garnets Scintillators For Radiation Detectors By Codoping, Fang Meng

Doctoral Dissertations

Ce doped Gd3Ga3Al2O12 [gadolinium gallium aluminium oxides] is considered as a promising candidate for the next generation Positron Emission Tomography material due to its high light yield in theory. This dissertation is focused on studying the Gd3Ga3Al2O12:Ce crystals by codoping, aiming to improve the light yield and decay time experimentally and understand the underlying mechanism.

The work starts from prescreening appropriate codopants for Gd3Ga3Al2O12:Ce crystals. A cost-effective method is developed to predict the performance of the single crystals by characterizing the radioluminescence intensity and photoluminescence decay of the small polycrystalline pellets. This method is demonstrated by showing that the results …

The Experimental And Theoretical Study Of Plasticity Improvement Of Zr-Based Bulk Metallic Glasses, Xie Xie

Doctoral Dissertations

Bulk metallic glasses (BMGs) attract more and more attention for their great mechanical properties, such as high strength, good corrosion resistance, etc. However, even though extensive studies have been made, their deformation mechanisms are still not well understood. Their limited plasticity and catastrophic failure after yielding severely prevent their broad applications in industry and daily life. To improve their plasticity, some work has been done through miscellaneous processing methods, e.g., thin-film coating, surface treatment, and ion irradiation. The present work also focuses on the plastic deformation of BMGs, and is expected to deepen the fundamental understanding of the deformation mechanisms …

Engineering The “Pluripotency” Of Zr-Based Bulk Metallic Glasses As Biomedical Materials, Lu Huang

Doctoral Dissertations

Bulk metallic glasses (BMGs) are a family of novel alloys with amorphous microstructures. The combination of their excellent mechanical properties, good chemical stability, high thermal formability, and general biocompatibility has brought up new opportunities for biomaterials. Research in this dissertation was focused on exploring multiple biomedical functionalities of Zr-based BMGs over a wide spectrum, combining materials and biological characterizations, through experimental and computational approaches. Four distinct yet interconnected tasks were endeavored, involving inflammation, hard-tissue implant, soft-tissue prosthesis, and pathogenic infection.

The inflammation that can be potentially triggered by Zr-based BMGs was investigated using macrophages. Lower level or comparable macrophage activations …

Energy Selective Neutron Imaging For The Characterization Of Polycrystalline Materials, Robin Woracek

Doctoral Dissertations

This multipart dissertation focuses on the development and evaluation of advanced methods for material testing and characterization using neutron diffraction and imaging techniques. A major focus is on exploiting diffraction contrast in energy selective neutron imaging (often referred to as Bragg edge imaging) for strain and phase mapping of crystalline materials. The dissertation also evaluates the use of neutron diffraction to study the effect of multi-axial loading, in particular the role of applying directly shear strains from the application of torsion. A portable tension-torsion-tomography loading system has been developed for in-situ measurements and integrated at major user facilities around the …

Single Fiber Mechanical Properties Using Nano-Tensile Testing And Carbon Fiber Structure-Property Relationship, Matthew Erich Kant

Doctoral Dissertations

Single carbon fibers are studied using a nano-tensile testing system. This system has unprecedented load and displacement resolution, nN and nm respectively, and the ability to perform dynamic testing for storage and loss modulus during quasi-static tensile extension. Furthermore, improved fiber mounting and alignment procedures coupled with the precision of the nano-tensile testing system assist in unprecedented resolution in single fiber mechanical testing for axial modulus and strength. Hence, using these unique capabilities, the moduli and their statistical distribution of many high performance carbon fibers are reported here. From this, a simplified single parameter model describing the strain dependent modulus …

Monte Carlo Modeling Of Ion Beam Induced Secondary Electrons, Uk Huh

Doctoral Dissertations

Modeling ion beam induced secondary electron (iSE) production within matter for simulating ion beam induced images has been studied. When the complex nature of ion beam interactions with matter is account for, a detailed quantitative model of the ion interactions with matter, Monte Carlo simulation will be the best choice to be able to compute and predict iSE yields faster and more accurately. In order to build Monte Carlo simulation software incorporated with a reliable database of stopping power tables, for wide variety of range of materials, there have been numerous attempts to experimentally measure ion stopping power tables and …

Ab Initio Studies Of Proton Transport In Proton Exchange Membranes, Jeffrey Keith Clark

Doctoral Dissertations

A molecular-level understanding of the factors that contribute to transport properties of proton exchange membranes (PEMs) for fuel cell applications is needed to aid in the development of superior membrane materials. Ab initio electronic structure calculations were undertaken on various PEM ionomer fragments to explore the effects of local hydration, side chain connectivity, protogenic group separation, and specific side chain chemistry on proton dissociation and transfer at low hydration. Cooperative interactions between both intra- and inter-molecular acidic groups and hydrogen bond connectivity were found to enhance proton dissociation at very low degrees of hydration. The energetics associated with proton transfer …