Physical Sciences and Mathematics Commons^™

Hdg Methods For Dirichlet Boundary Control Of Pdes, Yangwen Zhang

Doctoral Dissertations

"We begin an investigation of hybridizable discontinuous Galerkin (HDG) methods for approximating the solution of Dirichlet boundary control problems for PDEs. These problems can involve atypical variational formulations, and often have solutions with low regularity on polyhedral domains. These issues can provide challenges for numerical methods and the associated numerical analysis. In this thesis, we use an existing HDG method for a Dirichlet boundary control problem for the Poisson equation, and obtain optimal a priori error estimates for the control in the high regularity case. We also propose a new HDG method to approximate the solution of a Dirichlet boundary …

Cappack Devices For The Evaluation Of Parameters And Pulse Performances In Liquid And Solid-State Nmr Spectroscopy, Lingyu Chi

Doctoral Dissertations

"NMR spectroscopy is a powerful analytical tool to obtain explicit information about molecular structures, conformations, dynamics, and functions. To extract the desired information most accurately, NMR reference standards and devices are needed for calibrating the spectrometer hardware, generating reference data for the NMR software, and testing the applicability of pulse sequences. In this dissertation, the CapPack (Capillary-tube Package) platform is introduced which provides well-defined external reference and calibration standards for liquid and solid-state NMR applications. CapPacks consist of one or more permanently sealed capillary tubes that, depending on the intended application, come arranged in different geometries such as side-by-side or …

Phenolic Resin Aerogels: The Significance Of Inserting An Oxidative Ring-Fusion Aromatization Step At The Early Stages Of Pyrolytic Carbonization, And The Application Of These Materials In Co₂ Storage And Separation, Hojat Majedi Far

Doctoral Dissertations

"Phenolic aerogels, prepared via polycondensation of phenolic monomers and formaldehyde, were converted to carbon aerogels at 800 ⁰C/Ar followed by reactive etching under flowing CO₂. Previously, it was found that a lower-temperature air-oxidation of polybenzoxazine aerogels was necessary in order to obtain highly porous, isomorphic carbon aerogels with high carbonization yields. Using those findings as the point of departure, phenolic aerogels were oxidized at 240 ⁰C/air prior to carbonization. During that air-oxidation step, phenolic aerogels based on phloroglucinol (1,3,5- trihydroxybenzene) undergo fusion of their aromatic rings, yielding 6-membered heteroaromatic pyryliums with pendant phenoxide ions. The resulting carbon aerogels …

Dragline Excavation Simulation, Real-Time Terrain Recognition And Object Detection, Godfred Somua-Gyimah

Doctoral Dissertations

"The contribution of coal to global energy is expected to remain above 30% through 2030. Draglines are the preferred excavation equipment in most surface coal mines. Recently, studies toward dragline excavation efficiency have focused on two specific areas. The first area is dragline bucket studies, where the goal is to develop new designs which perform better than conventional buckets. Drawbacks in the current approach include operator inconsistencies and the inability to physically test every proposed design. Previous simulation models used Distinct Element Methods (DEM) but they over-predict excavation forces by 300% to 500%. In this study, a DEM-based simulation model …

Correlation Between Delay Time And Measured Concentration And Concentration Uncertainty By Neutron Activation Analysis, James Thomas Seman

Doctoral Dissertations

"For the last several decades, it has been apparent that new methods of identifying explosives can help investigators trace their origins. One way to identify an explosive is through the use of taggants: materials added to a product that encodes information about the product such as when it was manufactured.

This research investigates the survivability of a new identification taggant called the Nuclear Barcode that overcomes some of the downfalls that have been identified in prior taggants. The Nuclear Barcode encodes information as a unique combination of concentrations of rare earths (Ho, Eu, Sm, Lu, and Dy) and precious metals …

New Developments Of Dimension Reduction, Lei Huo

Doctoral Dissertations

"Variable selection becomes more crucial than before, since high dimensional data are frequently seen in many research areas. Many model-based variable selection methods have been developed. However, the performance might be poor when the model is mis-specified. Sufficient dimension reduction (SDR, Li 1991; Cook 1998) provides a general framework for model-free variable selection methods.

In this thesis, we first propose a novel model-free variable selection method to deal with multi-population data by incorporating the grouping information. Theoretical properties of our proposed method are also presented. Simulation studies show that our new method significantly improves the selection performance compared with those …

Functionalized Nanoporous Carbon Scaffolds For Hydrogen Storage Applications, Christopher L. Carr

Doctoral Dissertations

"Recent efforts have demonstrated confinement in porous scaffolds at the nanoscale can alter the hydrogen sorption properties of metal hydrides, though not to an extent feasible for use in onboard hydrogen storage applications, proposing the need for a method allowing further modifications. The work presented here explores how the functionalization of nanoporous carbon scaffold surfaces with heteroatoms can modify the hydrogen sorption properties of confined metal hydrides in relation to non-functionalized scaffolds (FS). Investigations of nanoconfined LiBH₄ and NaAlH₄ indicate functionalizing the carbon scaffold surface with nitrogen can shift the activation energy of hydrogen desorption in excess of …

Design And Characterization Of Multi-Spectral Underwater Beam-Port For Pool-Type Research Reactors, Meshari Mesfer Alqahtani

Doctoral Dissertations

“The beam-port is a cardinal facility at research reactors necessary for dry irradiation, testing and measurement experiments. The Missouri University of Science and Technology Reactor (MSTR) is one such reactor with a beam-port. Installation of additional beam-port in such reactor facilities can be prohibitive. A novel remedy to this is an underwater beam-port for pool-type reactors. The design and characterization of a conceptual underwater multi-spectral beam-port for neutron and gamma fluxes were completed for the MSTR. The neutron spectra from the MSTR were simulated using the Monte Carlo N-particle (MCNP). The determined neutron spectra were experimentally validated using SAND-II. The …

Harmful Algae, Algal Toxin, Taste And Odor Control And Mitigation In Public Water System, Haiting Zhang

Doctoral Dissertations

“Recent years, harmful algal blooms occurrence has increased quickly in the surface water worldwide, which has become a concern for drinking water plants due to the ability of toxic algae (cyanobacteria) to produce cyanotoxins including microcystins (MCs), mainly MC-LR, cylindrospermopsin (CYN), and taste and odor (T&O) compounds. Various types of chemicals are widely used in drinking water treatment plants as oxidants for treating source water challenged with harmful algal blooms. In this study, the release and degradation of intracellular MC-LR due to oxidation of Microcystis aeruginosa (M. aeruginosa), most common specie of cyanobacteria, was examined kinetically. Effect of …

Detecting Cells And Analyzing Their Behaviors In Microscopy Images Using Deep Neural Networks, Yunxiang Mao

Doctoral Dissertations

"The computer-aided analysis in the medical imaging field has attracted a lot of attention for the past decade. The goal of computer-vision based medical image analysis is to provide automated tools to relieve the burden of human experts such as radiologists and physicians. More specifically, these computer-aided methods are to help identify, classify and quantify patterns in medical images. Recent advances in machine learning, more specifically, in the way of deep learning, have made a big leap to boost the performance of various medical applications. The fundamental core of these advances is exploiting hierarchical feature representations by various deep learning …

Part I: Design, Synthesis, And Studies Of Novel Age-Inhibitors And Age-Breakers; Part Ii: Novel Synthetic Methods For Organofluorine Compound, Jatin Mehta

Doctoral Dissertations

"Novel small molecule inhibitors and breakers of advanced glycation end-products (AGEs) have been synthesized and their in vitro inhibitory activities have been studied by ¹³C NMR, fluorescence, and UV-visible spectroscopy. We have demonstrated that these AGE-inhibitors and AGE-breakers were found to be more effective in their sequestration of AGE intermediates, such as dehydroascorbate (DHA) than the state-of-the art phenacylthiazolium bromide (PTB)-based AGE-inhibitors and AGE-breakers. Citric acid and other polyphenolic antioxidants have substantial AGE inhibitory effects in the D-glucose/leucine or benzylamine Maillard reaction model systems, and thus they are suitable as dietary additives for ameliorating AGE-induced complications.

Organofluorine compounds have …

Measurement Of The Prompt J/Psi Pair Production Cross Section In Pp Collisions At Sqrt(S) = 8 Tev With Cms, Grant Valentine Riley

Doctoral Dissertations

The cross section for the prompt production of J/ψ [J/Psi] meson pairs in proton-proton collisions at √ s[sqrt(s)] = 8 TeV at the LHC from a sample corresponding to an integrated luminosity of 20.2±0.5 fb−1 [inverse femtobarns] has been measured with the CMS detector. It provides unique insight into particle production and proton structure in proton-proton (pp) collisions. The two J/ψ mesons are fully reconstructed in their µ +µ −[mu+ mu-] decay. An acceptance region is defined by the individual J/ψ transverse momentum pT J/ψ [J/Psi pT] and rapidity |y J/ψ| [J/Psi Rapidity]. The total fiducial cross section assuming unpolarized …

Development Of High-Performing Polydimethylsiloxane-Based Membranes For Carbon Dioxide Separation, Tao Hong

Doctoral Dissertations

Membrane separation is highlighted as one of the most promising approaches to mitigate the excessive CO₂ [carbon dioxide] emission, due to its significant reduction of energy cost compared with many conventional separation techniques. Unfortunately, the separation performance of current membranes does not meet the practical CO₂/N₂ [nitrogen] separation requirements. And due to the huge volume of industrial flue gas, membranes with exceptionally high permeability are needed for practical reasons.

Currently, the separation mechanism of most polymeric membranes is based on size-sieving. However, this method is not sufficient for CO₂/N₂ separations due to the …

An Exploration Of Basic Processes For Aqueous Electrochemical Production Of Hydrogen From Biomass Derived Molecules, Brian Fane

Doctoral Dissertations

Polymer electrolyte membrane fuel cells(PEMFCs) are energy conversion devices with significant potential. The factors preventing them from becoming widespread concern production and distribution of hydrogen. Developing an efficient hydrogen infrastructure with an approachable rollout plan is an essential step towards the future of fuel cells. Water electrolysis is limited by the thermodynamics of the process, which leads to high electrical consumption and significant materials challenges. Alternative methods for cleanly generating hydrogen while using a lower cell voltage are required. PEM based electrolyzers can operate with a "depolarized anode", whereby they become significantly less power hungry.

This thesis explores two techniques …

Design And Synthesis Of Analogs Of Myo-Inositol, Serine, And Cysteine To Enable Chemical Biology Studies, Tanei J. Ricks

Doctoral Dissertations

Phosphorylated myo-inositol compounds including inositol phosphates (InsPs) as well as the phosphatidylinositol polyphosphate lipids (PIP_ns) are critical biomolecules that regulate many of the most important biological processes and pathways. They are aberrant in many disease states due to their regulatory function. The same is true of the phospholipid phosphatidylserine (PS) which can serve as a marker to begin apoptosis. However, the full scope of activities of these structures is not clear, particularly since techniques that enable global detection and analysis of the production of these compounds spatially and temporally are lacking. With all of these obstacles in …

Search For The Decays Of 113ba, Yongchi Xiao

Doctoral Dissertations

The search for new alpha-emitters in the region above tin-100 was carried out in Japan Atomic Energy Agency (JAEA) tandem accelerator in Tokai, Japan. This work aimed to discover barium-113 produced via the fusion-evaporation reaction nickel-58(nickel-58,3n)barium-113 and observation through its alpha-decay chain from barium-113 to xenon-109 to tellurium-105 and tin-101. In the proof of principle experiment in March 2014, the alpha-decay chain of xenon-109 was observed with Double-sided Silicon Strip Detector (DSSD) and digital electronics at JAEA Recoil Mass Separator (RMS). The first discovery-oriented barium-113 experiment was carried out in December 2014 searching for its alpha-decay, ground-state to ground-state beta-decay …

Multiscale Modeling Approach To Understand Active Sites In Non-Conventional Catalyst Layers For Fuel Cell Applications, Diana Constanza Orozco Gallo

Doctoral Dissertations

Fuel cells development required stable, active and more abundant catalytic materials. Oxygen reduction reaction (ORR) is the key process to enhance better activity and reduce the fabrication costs. Pt-based has proven to be the best catalyst for ORR and greater efforts has been made in terms of reducing the Pt content in the electrodes, reduce electrode thickness and enhance better catalytic activities. To overcome many of the challenges present, the catalyst layer studies are the great importance in the fuel cell community. Understanding catalyst layer with new catalytic materials, and configurations requires the development of methodological approach to relate structure, …

From Pyrochlore To The Tripod Kagome Lattice: Magnetism Of New Compound Family A2re3sb3o14 (A = Mg, Zn; Re = Pr, Nd, Gd, Tb, Dy, Ho, Er, Yb), Zhiling Dun

Doctoral Dissertations

Geometrical frustration refers to the inability of a complex system to satisfy all its competing interactions within an underlying topological constrained lattice. The two-dimensional kagome lattice is one of the most frustrated lattices and has been a favorite in the theoretical condensed matter community. However, the large variety of exotic states predicted in kagome lattices lies in contrast to a paucity of experimental systems, making new kagome lattice compounds highly desired.

In this dissertation, I shall provide a systematic study of the structural and magnetic properties of a new compounds family, A2RE3Sb3O14 (A = Mg, Zn; RE = Pr, Nd, …

Development And Implementation Of Redox-Active Olefin Polymerization Catalysts, William Curtis Anderson Jr.

Doctoral Dissertations

Investigating homogeneous polymerization catalysts has been a thriving area of chemistry in the academic realm for several decades now, and has helped drive the development of a range of materials, from designer plastics to cheap commodity polymers. Billions of pounds of these materials are produced every year, which ensures that continuing research in the area will be necessary to improve current processes and enable more economic use of our resources.

This dissertation showcases the Long group’s research in homogeneous polymerization catalysis and our impact on the field thus far. We show that intelligent design of redox-active catalysts allows for a …

Impact Of Soil Water Content On Bermudagrass Athletic Field Performance, Kyley Hampton Dickson

Doctoral Dissertations

Soil water content (SWC) influences the consistency and performance of athletic fields. Two studies were conducted at the University of Tennessee Center for Athletic Field Safety (Knoxville, TN) to determine SWC impact on the performance of hybrid bermudagrass [Cynodon dactylon (L.) Pers. x C. transvaalensis, Burtt-Davy, ‘Tifway’] on silt loam (cohesive) and sand root zone conforming to United States Golf Association (USGA) specifications (noncohesive) root zones. Soil water content treatments for the cohesive soil averaged 0.10 m³/m³ (+/- 0.035), 0.17 m³/m³ (+/- 0.035), 0.26 m³/m³ (+/- 0.035), and 0.35 …

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 …

Analysis Of Primary Stripper Foils At The Spallation Neutron Source By An Electron Beam Foil Test Stand, Eric Paul Barrowclough

Doctoral Dissertations

Diamond films are used at the Spallation Neutron Source (SNS) as the primary charge exchange foils (i.e., stripper foils) of the accelerated 1 GeV (Gigaelectron volts) hydride ions. The most common type of film used is a nanocrystalline diamond film, typically 17 mm x 45 mm (millimeter) with an aerial density of 350 μg/cm² (microgram per square centimeter). The diamond film is deposited on a corrugated silicon substrate using plasma-assisted chemical vapor deposition. After the growth of the diamond film, 30 mm of the silicon substrate is etched away, leaving a freestanding diamond foil with a silicon handle that …

Exploration Of Equal Tune Transverse Coupling In The Spallation Neutron Source Accumulator Ring, Robert Edward Potts Iii

Doctoral Dissertations

The development of hadron machines is one of the main areas of focus in accelerator technology and is specifically called out as a priority in the high energy physics 10-year plan[70]. The trend for future accelerators is to move towards very high-intensity high-power accelerators to be used as proton drivers for secondary particles, target stations, and high-energy accelerators. These accelerators require lower beam losses and more stringent beam controls to maintain typical loss levels and meet specific final beam distributions.

This study focuses on the recently documented coupling resonance in the Spallation Neutron Source (SNS) accumulator ring. It was previously …

Numerical Studies Of Iron Based Superconductors Using Spin-Fermion Models, Christopher Brian Bishop

Doctoral Dissertations

The iron pnictide and iron chalchogenide superconductors are studied numerically using classical Monte Carlo techniques to reproduce experimental data and make predictions about the nature of the relevant interactions. The focus will be using Spin-Fermion models in a classical approximation to explore the phase diagram and calculate important physical properties of these materials over a wide range of temperatures.

Memory Response: Exposure History Dependence Of Microbial Mediated Transformations Of Substrates In Groundwater, Charles Joseph Paradis

Doctoral Dissertations

The flow, transport, and reactivity of dissolved-phase constituents in an unconfined and shallow aquifer were characterized, in situ, by utilizing the single-well push-pull test method. In the first study, the re-oxidation/mobility of uranium, in the presence of nitrate oxidant, was shown to be mitigated by preferential oxidation/mobilization of solid-phase, reduced, sulfur-bearing species. These results indicated that establishing conditions conducive to uranium reduction and the formation of reduced sulfur-bearing species can increase the efficacy of sustained uranium reduction/immobility in the presence of re-mobilizing oxidants. In the second study, the analytical solution to describe the one-dimensional displacement of the center of …

Mathematical Modeling Of Mixtures And Numerical Solution With Applications To Polymer Physics, John Timothy Cummings

Doctoral Dissertations

We consider in this dissertation the mathematical modeling and simulation of a general diffuse interface mixture model based on the principles of energy dissipation. The model developed allows for a thermodynamically consistent description of systems with an arbitrary number of different components, each of which having perhaps differing densities. We also provide a mathematical description of processes which may allow components to source or sink into other components in a mass conserving, energy dissipating way, with the motivation of applying this model to phase transformation. Also included in the modeling is a unique set of thermodynamically consistent boundary conditions which …

Spatiotemporal Subspace Feature Tracking By Mining Discriminatory Characteristics, Richard D. Appiah

Doctoral Dissertations

Recent advancements in data collection technologies have made it possible to collect heterogeneous data at complex levels of abstraction, and at an alarming pace and volume. Data mining, and most recently data science seek to discover hidden patterns and insights from these data by employing a variety of knowledge discovery techniques. At the core of these techniques is the selection and use of features, variables or properties upon which the data were acquired to facilitate effective data modeling. Selecting relevant features in data modeling is critical to ensure an overall model accuracy and optimal predictive performance of future effects. The …

Local Moments And Itinerant Electrons: Gaining New Insights Through Investigating Electronic And Dynamical Properties, Nicholas Steven Sirica

Doctoral Dissertations

Magnetic materials are often categorized in terms of either a purely local or a purely itinerant picture despite the fact that the vast majority actually fall within a spectrum that ranges between these two extremes. It is from such a starting point that this thesis aims at developing an understanding of how the complex interplay between local moments and itinerant electrons ultimately affects the electronic and dynamical properties. Such ideas are explored in greater detail using two materials as case studies: the chiral helimagnet Cr_1/3NbS₂ [Cr intercalated Niobium Disulfide] and YFe₂Ge₂ [Yttrium Iron Germanide] …

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 …

Metal Oxyhalides And Halides For Use As Electrode Materials In Li-Ion Batteries, Jonathan Mark Powell

Doctoral Dissertations

Synthesis of select metal halides and oxyhalides are explored in the form of direct fluorination using a fluidized bed reactor system, direct chlorination using hydrogen chloride gas, and a degradation dehydration reaction as novel methods towards the synthesis of these select metal halides and oxyhalides. The flexibility of the direct fluorination technique is demonstrated by the ability to vary the degree of fluorination based on the reaction conditions of temperature, time, and fluorine concentration. Conversion electrodes in the form of metal halides and metal oxyhalides are investigated as both anode and cathode materials for lithium ion batteries. The resulting electrochemical …