Other Materials Science and 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 …

Direct Printing/Coating/Plating Of Key Components For Electronic Devices, Xiyu Hu

Doctoral Dissertations

Miniaturization has been a technological trend for several decades for electronic devices. From the practical point of view, the successful miniaturization of fully integrated systems mainly depends on their components. This dissertation examines the inkjet printing of copper oxide inks on flexible substrates for applications in microfluidic valving systems. We expand the knowledge of low-cost and high-performance electrowetting valves and fabricate the microfluidic device for fluidic control, which is necessary to enable the next-generation microfluidic devices. In addition, we also study the electromagnetic interference (EMI) shielding material, which is a crucial part of electronic devices. The basic theory of EMI …

Harnessing The Mechanics Of Thin-Walled Metallic Structures: From Plate-Lattice Materials To Cold-Formed Steel Shear Walls, Fani Derveni

Doctoral Dissertations

Thin-walled structures have received a lot of interest during the last years due to their light weight, cost efficiency, and ease in fabrication and transportation, along with their high strength and stiffness. This dissertation focuses on the mechanical performance of thin-walled metallic structures from cold-formed steel shear walls and connections (PART I) to plate-lattice architected materials (PART II) via computational, experimental, and probabilistic methods. Cold-formed steel (CFS) shear walls subjected to seismic loads is the focus of PART I of this dissertation. An innovative three-dimensional shell finite element model of oriented strand board (OSB) sheathed CFS shear walls is introduced …

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 …

Surface Driven Flows : Liquid Bridges, Drops And Marangoni Propulsion, Samrat Sur

Doctoral Dissertations

Molecules sitting at a free liquid surface against vacuum or gas have weaker binding than molecules in the bulk. The missing (negative) binding energy can therefore be viewed as a positive energy added to the surface itself. Since a larger area of the surface contains larger surface energy, external forces must perform positive work against internal surface forces to increase the total area of the surface. Mathematically, the internal surface forces are represented by surface tension, defined as the normal force per unit of length. One common manifestation of surface tension is the difference in pressure it causes across a …

Engineered Nanoparticles For Site-Specific Bioorthogonal Catalysis: Imaging And Therapy, Riddha Das

Doctoral Dissertations

Bioorthogonal catalysis offers a strategy for chemical transformations complementary to bioprocesses and has proven to be a powerful tool in biochemistry and medical sciences. Transition metal catalysts (TMCs) have emerged as a powerful tool to execute selective chemical transformations, however, lack of biocompatibility and stability limits their use in biological applications. Incorporation of TMCs into nanoparticle monolayers provides a versatile strategy for the generation of bioorthogonal nanocatalysts known as “nanozymes”. We have fabricated a family of nanozymes using gold nanoparticles (AuNPs) as scaffolds featuring diverse chemical functional groups for controlled localization of nanozymes in biological environments, providing unique strategies for …

Interfacial Interactions And Dynamic Adhesion Of Synthetic And Living Colloids In Flow, Molly Shave

Doctoral Dissertations

This thesis focuses on the interactions between flowing particles and a surface, where hydrodynamics couples with chemical interactions in order to modify the way they come into play. First this thesis shows how electrostatic chemical heterogeneities on a flowing particle affect the interactions with a wall, using a highly tunable electrostatically heterogenous system produced by adsorbing small amounts of cationic polyelectrolytes onto silica particles in suspension and studying their behavior in flow over the fixed surface. By comparing this behavior to a system with equivalent chemical heterogeneity on a channel wall it was shown that the rotation of a particle …

Mechanical Performance Of Structural Systems With Missing Members: From Buildings To Architected Materials, Panagiotis Pantidis

Doctoral Dissertations

Structural systems are potentially subjected to damage initiating scenarios throughout the course of their service time. Depending on the nature and extent of the damaging event, they may experience significant reduction or even complete loss of their mechanical performance. This dissertation delves into the mechanics of structural systems under the notion of missing members from their domain, investigating types of structural systems: a) multi-story steel framed buildings, and b) materials with a truss-lattice microstructure. Part I of the dissertation investigates the performance of multi-story steel framed buildings under a column removal scenario, developing an analytical framework for their quasi-static robustness …

Synthesis And Molecular Transport Studies In Zeolites And Nanoporous Membranes, Vivek Vattipalli

Doctoral Dissertations

The advent of nanoporous materials such as zeolites and nanoporous membranes has provided cost-effective solutions to some of the most pressing problems of the 20^th century such as the conversion of crude oil into fuels and valuable chemicals. Hierarchical zeolites and mesoporous inorganic membranes are showing great promise in addressing new problems such as the conversion of biomass into value-added chemicals and development of energy-efficient separation processes. The synthesis and fundamental aspects of molecular transport in these new materials with hierarchical porosities need to be better understood in order to rationally develop them for these desired applications. Pore narrowing …

Development Of Functional Biomaterials Using Protein Building Blocks, Li-Sheng Wang

Doctoral Dissertations

Proteins have intrinsic molecular properties that are highly useful for materials applications, especially for biomaterials. My research has focused on translating these molecular properties to materials surface behavior. In one approach, I developed a fluorous-based thermal treatment strategy to generate stable thin films from a variety of naturally abundant proteins. The different surface properties generated from the choice of protein were utilized to modulate cell-surface interactions, prevent bacterial adhesions, and control drug loading/release. I have used nanoimprint lithography to generate patterned protein films for cell alignment. Coupling with inkjet printing deposition, I have fabricated mixed protein films with spatial and …

The Investigation Of Surface Barrier During Molecular Transport In Hierarchical Zeolites, Xiaoduo Qi

Doctoral Dissertations

Hierarchical zeolites with micropore lengths on the order of nanometers have been synthesized with the aim of reducing mass transfer limitation. However, due to large external surface to volume ratios, the mass transport in these materials can be hindered by a secondary rate limitation step imposed on the external surface of the zeolites. This has led to the general phenomenon referred to as “surface barriers”, which cause the enhancement in mass transport being far lower than expected. In order to fully unlock the potential of hierarchical zeolites, it is imperative to fundamentally understand the molecular transport in these new types …

Characterization Of Nanomaterials For Thermal Management Of Electronics, Amit Rai

Doctoral Dissertations

Recently, there has been a growing interest in flexible electronic devices as they are light, highly flexible, robust, and use less expensive substrate materials. Such devices are affected by thermal management issues that can reduce the device’s performance and reliability. Therefore, this work is focused on the study of the thermal properties of nanomaterials and the methods to address such issues. The goal is to enhance the effective thermal conductivity by adding nanomaterials to the polymer matrix or by structural modification of nanomaterials. The thermal conductivity of copper nanowire/polydimethylsiloxane and copper nanowire/polyurethane composites were measured and showed more than threefold …

Effective Magnetic And Electric Response Of Composite Materials, Mona Hassan Alsaleh

Doctoral Dissertations

Metamaterials (MMs) are nanocomposite materials consisting of metal-dielectric resonators much smaller in size than the wavelength of the incident light. Common examples of metamaterials are based on split ring resonators (SRRs), parallel wires or strips and fishnet structures. These types of materials are designed and fabricated in order to provide unique optical responses to the incident electromagnetic radiation that are not available in naturally existing materials. The MMs can exhibit unusual properties such as strong magnetism at terahertz (THz) and optical frequencies. Additionally, negative index materials (NIMs) can provide negative index of refraction which can be used in many applications …

Electrical Characterization Of Graphene And Nanodiamond Nanostructures, A Z M Nowzesh Hasan

Doctoral Dissertations

The electrical characterization on two-dimensional carbon-based graphene and nanodiamond materials was performed to improve charge transport properties for the label-free electrical biosensors. The charge transport in solution-gated graphene devices is affected by the impurities and disorders of the underlying dielectric interface and its interaction with the electrolytes. Advancement in field-effect ion sensing by introducing a dielectric isomorph, hexagonal boron nitride between graphene and silicon dioxide of a solution-gated graphene field-effect transistor was investigated. Increased transconductance due to increased charge carrier mobility is accompanied with larger ionic sensitivity. These findings define a standard to construct future graphene devices for biosensing and …

Nanoparticle Catalytic Enhancement Of Carbon Dioxide Reforming Of Methane For Hydrogen Production, Nicholas Groden

Doctoral Dissertations

The U.S. produces 5559.6 million metric tons of carbon dioxide annually, of which 21% is produced by industrial processes. Steam reforming, an industrial process that accounts for 95% of all hydrogen production in industry, produces 134.5 million metric tons of carbon dioxide or around 11% of the total carbon dioxide produced by industry. This carbon dioxide is then either emitted or goes through a sequestration process that accounts for 75% of the plant's operational costs. An alternative reaction to steam reforming is dry reforming, which utilizes carbon dioxide rather than emitting it and can be used in conjunction with current …

Modeling Deformation Behavior And Strength Characteristics Of Sand-Silt Mixtures: A Micromechanical Approach, Mehrashk Meidani

Doctoral Dissertations

This dissertation is comprised of six chapters. In the first chapter the motivation of this research, which was modeling the deformation behavior and strength characteristics of soils under internal erosion, is briefly explained. In the second chapter a micromechanis-based stress-strain model developed for prediction of sand-silt mixtures behavior is presented. The components of the micromechanics-based model are described and undrained behavior of six different types of sand-silt mixtures is predicted for several samples with different fines contents. The need for a more comprehensive compression model for sand-silt mixtures is identified at the end of this chapter. This desired compression model …

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 …

Computational Studies Of Structure–Function Relationships Of Supported And Unsupported Metal Nanoclusters, Hongbo Shi

Doctoral Dissertations

Fuel cells have been demonstrated to be promising power generation devices to address the current global energy and environmental challenges. One of the many barriers to commercialization is the cost of precious catalysts needed to achieve sufficient power output. Platinum-based materials play an important role as electrocatalysts in energy conversion technologies. In order to improve catalytic efficiency and facilitate rational design and development of new catalysts, structure–function relationships that underpin catalytic activity must be understood at a fundamental level. First, we present a systematic analysis of CO adsorption on Pt nanoclusters in the 0.2-1.5 nm size range with the aim …