Physical Sciences and Mathematics Commons^™

Laser-Induced Breakdown Spectroscopy And Plasmas Containing Cyanide, Christopher Matthew Helstern

Doctoral Dissertations

This dissertation focuses on laser-induced plasma of diatomic molecular cyanide. Optical breakdown plasma generation is produced by high-peak-power 1064 nm Q-switched nanosecond pulsed radiation. Laser-induced breakdown is performed on a 1:1 molar gas mixture of carbon dioxide and nitrogen held at a fixed pressure of 760 Torr, a 1:1 molar gas mixture of carbon dioxide and nitrogen held at a fixed pressure of 2069 Torr, and a flowing 1:1 molar gas mixture of carbon dioxide and nitrogen flowing at a rate of 100 mL per minute. Plasma shockwave measurements in laboratory air are shown to determine the shock front geometry …

Probing Structure, Function And Dynamics In Bacterial Primary And Secondary Transporter-Associated Binding Proteins, Shantanu Shukla

Doctoral Dissertations

Substrate binding proteins (SBPs) are ubiquitous in all life forms and have evolved to perform diverse physiological functions, such as in membrane transport, gene regulation, neurotransmission, and quorum sensing. It is quite astounding to observe such functional diversity among the SBPs even when they are restricted by their fold space. Therefore, the SBPs are an excellent set of proteins that can reveal how proteins evolution novel function in a structurally conserved/constrained fold. This study attempts to understand the phenomenon of affinity and specificity evolution in SBPs by combining a set of biochemical, biophysical, and structural studies on the SBPs involved …

Understanding The Fundamentals Of Ionic Conductivity In Polymer Electrolytes, Eric Wayne Stacy

Doctoral Dissertations

The rate of advancement for mobilized electronic technologies is outpacing the development of small efficient batteries. Lithium-ion batteries are currently the most widely used energy storage device for consumer electronics. Traditional lithium-ion batteries use a liquid electrolyte to separate the cathodes and anodes; however, conventional liquid electrolytes have inherent problems, such as consisting of flammable carbonate components, hazardous material, and have a significant cost/weight in the battery. In addition, the liquid electrolyte cannot prevent the growth of lithium dendrites during the charge/discharge cycle of the lithium-ion battery. These dendrites can connect the anode to the cathode of the battery cell …

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 …

Benchmarks And Controls For Optimization With Quantum Annealing, Erica Kelley Grant

Doctoral Dissertations

Quantum annealing (QA) is a metaheuristic specialized for solving optimization problems which uses principles of adiabatic quantum computing, namely the adiabatic theorem. Some devices implement QA using quantum mechanical phenomena. These QA devices do not perfectly adhere to the adiabatic theorem because they are subject to thermal and magnetic noise. Thus, QA devices return statistical solutions with some probability of success where this probability is affected by the level of noise of the system. As these devices improve, it is believed that they will become less noisy and more accurate. However, some tuning strategies may further improve that probability of …

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 …

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 …

Using Second Harmonic Generation To Study Gram-Positive Bacterial Membranes, Lindsey N. Miller

Doctoral Dissertations

Understanding how small-molecules, such as drugs, interact with bacterial membranes can quickly unravel into much more perplexing questions. No two bacterial species are alike, especially when comparing their membrane compositions which can even be altered by incorporating fatty acids from their surrounding environment into their lipid-membrane composition. To further complicate the comparison, discrete alterations in small-molecule structures can result in vastly different membrane-interaction outcomes, giving rise to the need for more "label-free" studies when analyzing drug mechanisms. The work presented in this dissertation highlights the benefits to using nonlinear spectroscopy and microscopy techniques for probing small-molecule interactions in living bacteria. …

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 …

An Explicit Asymptotic Approach Applied To Neutrino-Electron Scattering In The Neutrino Transport Problem, Aaron Michael Lackey-Stewart

Masters Theses

This thesis presents results of explicit asymptotic calculations applied to neutrino-electron collisions in the neutrino transport problem; a problem that is generally solved using implicit methods when simulating core collapsed supernovae. It is shown that the explicit asymptotic method provides stable solutions to these stiff systems of equations while also yielding comparative accuracy and time stepping to standard implicit treatments such as Backward Euler, Fixed Point Iteration, and Anderson Accelerated Fixed Point. Because implicit methods are found to be less efficient for large systems of stiff, coupled equations, these results could help cut costs in solving this problem while also …

Exploring Structural And Electronic Properties Of Triangular Adatom Layers On The Silicon Surface Through Adsorbate Doping, Tyler S. Smith

Doctoral Dissertations

The analysis of the electronic structure and morphology of 1/3 monolayers (ML) of Sn or Pb on Si(111) and Ge(111) has played an important role in understanding the role of electronic correlations in two dimensions. Specifically, the two-dimensional lattice of partially filled dangling bonds of these so-called α-phases has been an important testbed for studying structural phase transitions and correlated electronic phenomena ever since the discovery of a surface charge density wave in the Pb/Ge(111) system more than two decades ago. With the exception of the novel Sn/Si(111) system, all $\alpha$-phases undergo a charge ordering transition at low temperature. The …

Numerical Studies Of Multi-Orbital Hubbard Models, Nitin Kaushal

Doctoral Dissertations

This thesis examines the emergence of exotic phases in multi-orbital Hubbard models due to competition between Coulomb interaction, spin-orbit coupling and kinetic energy. Exact diagonalization and numerically accurate density matrix renormalization group methods are used to study small clusters and one dimensional chains. Two dimensional lattices are solved using unrestricted real-space Hartree-Fock approximation. Novel excitonic insulators, due to condensation of spin-orbit excitons, are found in the spin-orbit coupling vs Coulomb interation phase diagrams of (t_2g)ⁿ systems for n = 4 and 3.5. Moreover, the presence of a BCS-BEC crossover in the (t_2g)4 excitonic insulator is …

Probability Distribution Of Equations Of State For Astrophysical Simulations, Xingfu Du

Doctoral Dissertations

The detection of gravitational wave during the neutron star merger event GW170817 greatly enhanced our ability to probe the interiors of neutron stars. Future measurements of similar events will put further constraints to the equation of state (EOS) of nuclear matter. Also, uncertainties in the EOS create variations in the results of astrophysical simulations of core-collapse supernovae and neutron star mergers. In order to quantify the uncertainties, we construct a probability distribution of equations of state (EOSs). We create a new EOS which respects experimental, observational and theoretical constraints on the nature of matter in various density and temperature regimes. …

Theoretical Modeling Of Metallic Compounds With Versatile Properties By Combining First-Principles Calculations And Global Structure Prediction Algorithms, Jinseon Park

Doctoral Dissertations

Improving the target properties of existing materials or finding new materials with enhanced functionality for practical applications is at the heart of the materials research. In this respect, the first-principles approaches, which have been successfully integrated into modern high- performance computers, have become an indispensable part of the materials research, providing a better understanding of existing materials and guidance on the design of new materials. Using state-of-the-art computational/theoretical approaches that couple global structure prediction with ab initio density functional theory calculations, we investigate structural and electronic properties of Cs_xO [cesium oxides], Li_1+xMn₂O₄ [lithium …

Eusectra: European Nuclear Security Training Centre Providing Hands-On Training And Education In Nuclear Security And Safeguards, Willem Janssens, Veronique Berthou, Abbas Kamel, Jean Galy, Klaus Luetzenkirchen, Klaus Mayer, Stefan Nonneman

International Journal of Nuclear Security

The European Nuclear Security Training Centre (EUSECTRA) inaugurated under this global name about 10 years ago and operated by the European Commission Joint Research Centre (JRC), located both on the Karlsruhe (Germany) and Ispra (Italy) sites, includes a large variety of capacity building and professional development activities which span from the hands-on training for nuclear security and safeguards actors (e.g. respectively border guards or customs and nuclear inspectors) to educational efforts in both nuclear security and safeguards. Whereas the first ones, which gave rise to the new name, focus mainly on detection, on-site assistance, crime-scene management, technical reach-back and nuclear …

Physical Protection System, Corrective Actions, And Weaknesses Identification Based On Nuclear Security Series: The Hypothetical Atomic Research Institute (Hari) Case, Ouadie Kabach

International Journal of Nuclear Security

The paper is an attempt, based on the IAEA’s Nuclear Security Series (NSS), to identify any unacceptable dysfunction of Physical Protection System (PPS) of the Material Test Reactor (MTR) facility in a Hypothetical Atomic Research Institute (HARI). The evaluation of an existing or a proposed PPS requires a methodical approach whereby the ability of the security system to meet defined protection goals as the safeguard against possibility of sabotage and theft should be measured. Without such kind of careful assessment, the PPS might waste valuable resources on unnecessary protection or, worse yet, fail to provide adequate protection at critical points …

Numerical Modeling Of Magnetic Fields For Mirror Neutron Search Experiment, Adam Johnston

Pursuit - The Journal of Undergraduate Research at The University of Tennessee

This paper will outline the configuration of 3D magnetic field model simulated from electric current sources using MATLAB. The model is using 3D arrays allowing for quick and accurate numerical approximations of Bio-Savart integrals, of error < , modeling the behavior of a magnetic field due to current carrying wires. We will discuss the development of a 3D magnetic field configuration produced by the current carrying wires around a large 2.5 m diameter vacuum beam tube in the proposed mirror neutron search experiment at High Flux Isotope Reactor (HFIR) at Oak Ridge National Laboratory (ORNL). The simulations demonstrate that the magnetic field with uniformity better than ± 2.5 mG that will allow for optimal results in experiment within the controlled range of net magnetic field magnitudes |B| 500 mG and in the large vacuum tube along 20-m neutron flight path can be achieved for an approximately 6 cm radius section at the center of the tube.

Measurements Of Fast Alpha Decays In The 100sn Region, Ian Connor Cox

Chancellor’s Honors Program Projects

No abstract provided.