Search
Now showing items 1-20 of 100
Ferroelectric System Dynamics and the Properties of Ferroelectric / Two-Dimensional Electron Gas Heterostructures: a Ginzburg–Landau Study
(University of Missouri -- Kansas City, 2017)
Understanding the electronic response of materials to applied electric fields is an
outstanding goal in solid-state theory. One aspect of this goal is to accurately predict the
electric polarization of certain materials ...
Enabling Electronic Structure Calculations of High Z Element Containing Materials Using Dirac Relativistic DFT Methods
(2020)
Novel properties may be induced in a host material by doping it with high Z elements to alter its underlying electronic states. Presently, no method exists that can accurately capture both large system sizes and the intricate ...
Modeling HIV-1 Infection in the Brain: The Effect of the Blood-Brain Barrier
(2019)
Despite the advancement of antiretroviral therapy (ART), the development of HIV associated neurocognitive disorders (HAND) remains a major concern among HIV infected patients. As many ART drugs may fail to penetrate the ...
Laser-Induced Breakdown Spectroscopy of Micron Sized Particles with the Consideration of Industrial Applications
(University of Missouri -- Kansas City, 2019)
Laser-induced breakdown spectroscopy (LIBS) is a technology for performing
spectral analysis of materials with little sample preparation, rapid measurement times, and
minimal damage to the sample. Micro-LIBS is a form ...
Frequency and Field Strength Materials Characterization with Complementary Split-ring Resonators, Coplanar Waveguides, and the Virtual Ground Method
(University of Missouri -- Kansas City, 2019)
In the radiofrequency bands, measuring the power-dependent complex permittivity
and permeability of materials that undergo metal–insulator transitions is a significant
challenge which is important for defense and ...
A Hybrid Modeling Approach to Assess the Efficacy of Control Measures on Paratuberculosis on U.S. Dairy Farms
(University of Missouri--Kansas City, 2016)
Paratuberculosis, also known as Johne's disease or JD, is a chronic contagious
infection, caused by Mycobaterium avium paratuberculosis (MAP). This fatal disease
is incurable and causes considerable economic losses to ...
Observing the Sedimentation of TiO2 Nanoparticles in Aqueous Solution Using a Quartz Crystal Microbalance with Dissipation Monitoring
(University of Missouri--Kansas City, 2016)
The development of a novel and less expensive approach to the quartz crystal microbalance with dissipation monitoring (QCM-D) is explored. Using a vector network analyzer (VNA) to measure harmonic ranges from the primary ...
Electronic Structure in the Organic-based Magnet [Feᴵᴵ(TCNE)(NCMe)₂][FeᴵᴵᴵCl₄] using the Orthogonalized Linear Combination of Atomic Orbitals Method with Hubbard U
(University of Missouri--Kansas City, 2017)
The Hubbard U parameter is applied to the organic-based magnet
[Feᴵᴵ(TCNE)(NCMe)₂][FeᴵᴵᴵCl₄] using the Orthogonalized Linear Combination of Atomic
Orbitals (OCLAO) methods. The Local Spin Density Approximation (LSDA) ...
Determining Elemental Concentrations of Nickel-Doped Iron Samples through the Method of Laser Induced Breakdown Spectroscopy
(University of Missouri--Kansas City, 2017)
Accurate information about the composition and concentration of the elements
comprising a material is oftentimes of the utmost importance. Laser induced breakdown
spectroscopy (LIBS) is a method for determining ...
Application of Ab Initio Calculations and Molecular Dynamics to Collagen and Brome Mosaic Virus
(University of Missouri--Kansas City, 2016)
Molecular Dynamics (MD) simulations are no more accurate than the underlying
force field which represents the molecular interactions. In this thesis, we have
calculated ab initio atomic partial charges for proteins of ...
Design of Instrumentation and Methodologies for Determination of Free Neutron Characteristics
(University of Missouri -- Kansas City, 2017)
Measuring neutron source‐dependent free neutron properties over a large neutron energy range, with human‐portable instrumentation, continues to push the frontier of neutron detection instrumentation design and analysis ...
Addressing On-Chip Power Conversion and Dissipation Issues in Many-Core System-on-a-Chip based on Conventional Silicon and Emerging Nanotechnologies
(University of Missouri -- Kansas City, 2017)
Integrated circuits (ICs) are moving towards system-on-a-chip (SOC) designs. SOC
allows various small and large electronic systems to be implemented in a single chip. This
approach enables the miniaturization of design ...
Silicon on Ferroelectric Insulator Field Effect Transistor (SOFFET): A Radical Alternative to Overcome the Thermionic Limit
(University of Missouri--Kansas City, 2016)
The path of down-scaling traditional MOSFET is reaching its technological,
economic and, most importantly, fundamental physical limits. Before the dead-end of the
roadmap, it is imperative to conduct a broad research ...
Spatiotemporal Modeling and Analysis of Disease Spread in Wildlife
(University of Missouri--Kansas City, 2018)
Wildlife and wildlife diseases have been frequent topics in mathematical epidemiology. However, due to the complexity of real-world systems and the varying degree of randomness in the behavior of any one individual organism, ...
Ab Initio Study of Amorphous Zeolitic Imidazolate Framework (A-ZIF) and Pyrophosphate crystals
(2020)
Zeolitic imidazolate frameworks (ZIFs) are a rapidly emerging class of versatile porous material with many potential applications. Here, we report the construction of an amorphous ZIF (a-ZIF) model from a near-perfect ...
Electronic Structure of Three Center Two Electron Bonds in Boron Rich Materials: A Study of Molecules, Crystals, and Amorphous Solids using the ab initio Orthogonalized Linear Combination of Atomic Orbitals Method
(2020)
It has been shown that isomers of carborane, α and β rhombohedral boron, α and β tetragonal boron, γ boron, and boron carbide tend to form icosahedral structures. If the icosahedra were formed with pure boron, it has been ...
Implementation of Solution and Solid Sate Nuclear Magnetic Resonance (NMR) Spectroscopic Techniques for Quantitative and Qualitative Analysis of Molecular Species
(University of Missouri -- Kansas City, 2019)
In this dissertation, spectroscopy has been used to solve a variety of problems in different
domains of science. Therefore, each chapter consists of different examples that have been
addressed using different concepts ...
Investigation of Interconnect and Device Designs for Emerging Post-MOSFET and Beyond Silicon Technologies
(University of Missouri--Kansas City, 2016)
The integrated circuit industry has been pursuing Moore’s curve down to deep
nanoscale dimensions that would lead to the anticipated delivery of 100 billion transistors on
a 300 mm² die operating below 1V supply in the ...
Constraining the Major Merging History of Massive Galaxies: A Comprehensive Analysis of Close Pairs and Tidal Features Using Empirical and Simulated Data
(2021)
Major galaxy merging is a fundamental aspect of the hierarchical structure-growth scenario of the universe, and it is theoretical expected to contribute to several key aspects of galaxy evolution. As such, empirically ...
The Role of Surfaces and Structural Disorder on the Core Level Chemical Shift in Perovskite Solar Cells
(2021)
The local electronic environment of atoms near interfaces in thin-film solar cells plays a crucial role in the overall performance. Core electron chemical shifts are sensitive indicators of variation in the local environment ...