Browsing by Thesis Department "Physics (UMKC)"
Now showing items 41-60 of 105
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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) ... -
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 ... -
Electronic Stucture of Elemental Boron
(University of Missouri--Kansas City, 2010-12-15)Boron has complex structures in its crystalline forms that lead to a variety of properties. The primary phases of elemental boron are α-B12, t-B50, γ-B28, and β-B106 and are the focus of this thesis. As a preliminary ... -
Electronic, Optical, Structural, and Elastic Properties of MAX Phases and (Cr2Hf)2Al3C3
(2014-09-30)The term “MAX phase” refers to a very interesting and important class of layered ternary transition-metal carbides and nitrides with a novel combination of both metal- and ceramic-like properties that have made these ... -
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 ... -
Energy and Data Conversion Circuits for Low Power Sensory Systems
(2013)This dissertation focuses on the problem of increasing the lifetime of wireless sensors. This problem is addressed from two different angles: energy harvesting and data compression. Energy harvesting enables a sensor to ... -
Exploration of the Application of Machine Learning to the Improvement of Interatomic Potentials
(2022)Current methods for atomistic simulations of material systems suffer from limitations which restrict the ability of the simulations to correctly characterize certain material behavior and physical phenomena. Small scale ... -
Exploratory identification of introductory algebra-based physics success factors
(University of Missouri-Kansas City, 2011-06-08)The field of physics suffers from low student matriculation through its degree programs as well as being viewed as being abstract, complicated, and incomprehensible by students enrolled in introductory courses. A study was ... -
Far-UV to Mid-IR Spectral Energy Distributions of Nearby Merging Galaxies
(2022)Simulations of gas-rich, major galaxy mergers predict elevated amounts of star formation (SF) and nuclear black hole growth (active galactic nuclei, or AGN). This model is supported by observations that find enhanced SF ... -
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 ... -
First Principles Method for Complex Cement Structure and High Entropy Alloys
(2021)The ultimate objective of this dissertation contains two different areas of materials – secondary of Portland cement structure and high entropy alloys (HEAs). Similar concept of the computational method was applied to ... -
First-Principles Calculation of Laser Crystal Multiplet Levels via Hybridized Density Functional Theory and Configuration Interaction within the OLCAO Method
(University of Missouri--Kansas City, 2017)Computation of highly-localized multiplet energy levels of transition metal dopants is essential to the design of materials such as laser host crystals. A purely first-principles density functional theory-configuration ... -
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 ... -
Function Implementation in a Multi-Gate Junctionless FET Structure
(2023)This dissertation explores designing and implementing a multi-gate junctionless field-effect transistor (JLFET) structure and its potential applications beyond conventional devices. The JLFET is a promising alternative to ... -
Generalized Koszul Properties of Commutative Local Rings
(2014)We study several properties of commutative local rings that generalize the notion of Koszul algebra. The properties are expressed in terms of the Ext algebra of the ring, or in terms of homological properties of powers ... -
Growth of Semiconductor Thin Films by Pulsed Laser Deposition
(University of Missouri--Kansas City, 2016)Pulsed ultraviolet light from a XeF excimer laser was used to grow thin films of zinc oxide and tin dioxide on (111) p-type silicon wafers within a versatile high vacuum laser deposition system. This pulsed laser deposition ... -
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 ... -
Hydrolysis and aqueous corrosion of silicate and aluminosilicate glasses via ab initio molecular dynamics simulation
(2021)Hydrolysis and aqueous corrosion of glass is a complex and puzzling phenomenon. Although many endeavors have been made to investigate corrosion in glass, it is still an open question with many unanswered fundamental issues. ... -
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 ... -
In Pursuit of Extraordinarily Twisted Acenes
(2015-05-26)Longitudinally twisted acenes are a topologically interesting class of polycyclic aromatic hydrocarbons (PAHs), and it could be argued that they have quite beautiful chemical structures, too. X-ray crystal analysis of many ...