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 …

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 …

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 …

Analysis Of Turbulent Flow Behavior In Helicopter Rotor Hub Wakes, Forrest Mobley

Masters Theses

The rotor hub is one of the most important features of all helicopters, as it provides the pilot a means for controlling the vehicle by changing the characteristics of the main and tail rotors. The hub also provides a structural foundation for the rotors and allows for the rotor blades to respond to aerodynamic forces while maintaining controllability and stability. Due to the inherent geometry and high rate of rotation, the rotor hub in its current form acts a large bluff body and is the primary source of parasite drag on the helicopter, despite its relatively small size. The rotor …

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 …

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 …

Enigma - Ongoing Development Towards Novel Beta-Decay Spectroscopy Station At Isolde, Philipp Wagenknecht

Masters Theses

Beta decay and collinear laser spectroscopy are proven efficient tools to study nuclear structure far from stability. Two areas of significance are investigations into nuclear deformation and shape coexistence, as well as delayed neutron emissions used in nuclear energy applications. This contribution presents the ongoing development towards a novel beta-decay spectroscopy station for the VITO experiment at CERN’s radioactive ion beam facility ISOLDE. The setup will utilize both collinear laser spectroscopy and beta-decay spectroscopy to measure the energy and spin-parities of the ground and excited states of radioactive beams. Initial designs of the support structure, magnetic field, and detector array …

Meta-Heuristic Optimization Techniques For The Production Of Medical Isotopes Through Special Target Design, Cameron Ian Salyer

Masters Theses

Medical isotopes are used for a variety of different diagnostic and therapeutic purposes Ruth (2008). Due to recent newly discovered applications, their production has become rapidly more scarce than ever before Charlton (2019). Therefore, more efficient and less time consuming methods are of interest for not only the industry’s demand, but for the individuals who require radio-isotope procedures. Currently, the primary source of most medical isotopes used today are provided by reactor and cyclotron irradiation techniques, followed by supplemental radio-chemical separations Ruth (2008). Up until this point, target designs have been optimized by experience, back of the envelope calculations, and …

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 …

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 …

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 …

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 …

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 …

Dynamic Neuromechanical Sets For Locomotion, Aravind Sundararajan

Doctoral Dissertations

Most biological systems employ multiple redundant actuators, which is a complicated problem of controls and analysis. Unless assumptions about how the brain and body work together, and assumptions about how the body prioritizes tasks are applied, it is not possible to find the actuator controls. The purpose of this research is to develop computational tools for the analysis of arbitrary musculoskeletal models that employ redundant actuators. Instead of relying primarily on optimization frameworks and numerical methods or task prioritization schemes used typically in biomechanics to find a singular solution for actuator controls, tools for feasible sets analysis are instead developed …

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 …

Approaches To Studying Bacterial Biofilms In The Bioeconomy With Nanofabrication Techniques And Engineered Platforms., Michelle Caroline Halsted

Doctoral Dissertations

Studies that estimate more than 90% of bacteria subsist in a biofilm state to survive environmental stressors. These biofilms persist on man-made and natural surfaces, and examples of the rich biofilm diversity extends from the roots of bioenergy crops to electroactive biofilms in bioelectrochemical reactors. Efforts to optimize microbial systems in the bioeconomy will benefit from an improved fundamental understanding of bacterial biofilms. An understanding of these microbial systems shows promise to increase crop yields with precision agriculture (e.g. biosynthetic fertilizer, microbial pesticides, and soil remediation) and increase commodity production yields in bioreactors. Yet conventional laboratory methods investigate these micron-scale …

Transport Of Water And Ions Through Single-Walled Armchair Carbon Nanotubes: A Molecular Dynamics Study, Michelle Patricia Aranha

Doctoral Dissertations

The narrow hydrophobic interior of a carbon nanotube (CNT) poses a barrier to the transport of water and ions, and yet, unexpectedly, numerous experimental and simulation studies have confirmed fast water transport rates comparable to those seen in biological aquaporin channels. These outstanding features of high water permeability and high solute rejection of even dissolved ions that would typically require a lot of energy for separation in commercial processes makes carbon nanotubes an exciting candidate for desalination membranes. Extending ion exclusion beyond simple mechanical sieving by the inclusion of electrostatics via added functionality to the nanotube bears promise to not …

First-Principles Study Of Point Defect Behavior At Interfaces And In-Plane Strain Fields, Jianqi Xi

Doctoral Dissertations

Interfaces in solid materials are the so-called boundaries, separating crystals with the same structure and chemistry but different orientations, e.g. grain boundaries (GBs), different stacking sequences, e.g. stacking faults (SFs), or crystals with different structures and/or chemistries as well as orientations, e.g. the interface between substrate and thin film. In this study, first-principles calculations are used to investigate the defect behavior at different interfaces and in-plane strain fields, such as stacking fault (SF) in silicon carbide (SiC), in-plane strain field near interfaces in potassium tantalate (KTaO₃), and grain boundary in ceria (CeO₂).

Results show that the …

Improving Predictive Capabilities Of Classical Cascade Theory For Nonproliferation Analysis, David Allen Vermillion

Doctoral Dissertations

Uranium enrichment finds a direct and indispensable function in both peaceful and nonpeaceful nuclear applications. Today, over 99% of enriched uranium is produced by gas centrifuge technology. With the international dissemination of the Zippe archetypal design in 1960 followed by the widespread illicit centrifuge trafficking efforts of the A.Q. Khan network, traditional barriers to enrichment technologies are no longer as effective as they once were. Consequently, gas centrifuge technology is now regarded as a high-priority nuclear proliferation threat, and the international nonproliferation community seeks new avenues to effectively and efficiently respond to this emergent threat.

Effective response first requires an …

Development Of Nuclear Underground Engineered Test Surrogates For Technical Nuclear Forensics Exploitation, Robert Boone Gilbreath

Masters Theses

A method for formulation and production of Nuclear UnderGround Engineered Test Surrogates (NUGETS) based on notional improvised nuclear device (IND) detonations in an underground environment analogous to the Nevada National Security Site (NNSS) is presented. Extensive statistical analyses of precursory geochemical and geophysical characteristics are combined with an augmented surrogate debris cooling technique and predictive IND contributions from the ORIGEN Fallout Analysis Tool. Precursory and resultant elemental compositions, cooling curve calculations, and visual comparison of NUGETS to genuine underground debris are reported. Application of NUGETS methodology to future studies in urban, underground post-detonation technical nuclear forensic (TNF) analysis is suggested.

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 …

Beta-Delayed Neutron Data And Models For Scale, Kemper Dyar Talley

Doctoral Dissertations

Recent advancements in experimental and theoretical nuclear physics have yielded new data and models that more accurately describe the decay of fission products compared to historical data currently used for many applications. This work examines the effect of the adopting the Effective Density Model theory for beta-delayed neutron emission probability on calculations of delayed-neutron production and fission product nuclide concentrations after fission bursts as well as the total delayed neutron fraction in comparison with the Keepin 6-group model. We use ORIGEN within the SCALE code package for these calculations. We show quantitative changes to the isotopic concentrations for fallout nuclides …

Large Scale Brownian Dynamics Simulation Of Dilute And Semidilute Polymeric Solutions, Amir Saadat

Doctoral Dissertations

Excluded Volume (EV) and Hydrodynamic Interactions (HI) play a central role in static and dynamic properties of macromolecules in solution under equilibrium and nonequilibrium settings. The computational cost of incorporating HI in mesoscale Brownian dynamics (BD) simulations, particularly in the semidilute regime has motivated significant research aimed at development of high-fidelity and efficient techniques.

In this study, I have developed several algorithms for the mesoscale bead-spring representation of a macromolecular solution in dilute and semidilute regimes. The Krylov subspace method enables fast calculation of single chain dynamics with simulation time scaling of O(N_b²) [order N …

Development, Analysis, And Optimization Of A Swirl-Promoting Mean Flow Solution For Solid Rocket Motors, Andrew Steven Fist

Masters Theses

This work demonstrates and analyses a new flow candidate for describing the internal gaseous motion in simulated rocket motors. The fundamental features of this solution include the conservation of key system properties also incorporated in the classic Taylor-Culick (TC) system (i.e. inviscid, axisymmetric, steady and rotational properties), while allowing for the development of a swirling velocity component. The work compares the new solution to the development and formulation of the classic TC system, ultimately identifying that both the new and classic solutions are special cases of the Bragg-Hawthorne equation. Following this development, the text then explores the development of energy-optimized …

A Generalized Method For Fissile Material Characterization Using Short-Lived Fission Product Gamma Spectroscopy, Justin Richard Knowles

Doctoral Dissertations

Characterizing the fissile content of nuclear materials is of particular interest to the safeguards and nuclear forensics communities. Short-lived fission product gamma spectroscopy offers a significant reduction in analysis time and detection limits when compared to traditional non-destructive assay measurements. Through this work, a fully generalizable method that can be applied to variations in fissile compositions and neutron spectra was developed for the modeling and measurement of short-lived fission product gamma-rays. This method uses a 238-group neutron flux that was characterized for two pneumatic tube positions in the High Flux Isotope Reactor using flux monitor irradiations. This flux spectrum was …

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 …

Actinium-225 Production Via Proton Irradiation Of Thorium-232, Justin Reed Griswold

Doctoral Dissertations

High energy proton spallation reactions on natural thorium metal targets have been utilized to produce multi mCi [milliCurie] quantities of Actinium-225. Theoretical cross sections for actinium and thorium isotopes as well as for a select number of the fission products produced in these reactions were generated by the Monte Carlo radiation transport code PHITS to simulate the experimental data obtained from sixteen irradiations of thorium metal targets with 25-210 µA [microampere] proton beams ranging in energies from 77 to 192 MeV. Irradiations were conducted at Brookhaven National Laboratory (BNL) and Los Alamos National Laboratory (LANL), while target dissolution and processing …