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Classical Simulations of the Drift of Magnetobound States of Positronium (open access)

Classical Simulations of the Drift of Magnetobound States of Positronium

The production and control of antihydrogen at very low temperatures provided a key tool to test the validity for the antimaterial of the fundamental principles of the interactions of nature such as the weak principle of equivalence (WEP), and CPT symmetry (Charge, Parity, and Time reversal). The work presented in this dissertation studies the collisions of electrons and positrons in strong magnetic fields that generate magnetobound positronium (positron-electron system temporarily bound due to the presence of a magnetic field) and its possible role in the generation of antihydrogen.
Date: August 2021
Creator: Aguirre Farro, Franz
System: The UNT Digital Library

Low-Energy Electron Irradiation of 2D Graphene and Stability Investigations of 2D MoS2

In this work, we demonstrate the mechanism for etching exfoliated graphene on SiO2 and other technological important substrates (Si, SiC and ITO), using low-energy electron sources. Our mechanism is based on helium ion sputtering and vacancy formation. Helium ions instead of incident electrons cause the defects that oxygen reacts with and etches graphene. We found that etching does not occur on low-resistivity Si and ITO. Etching occurs on higher resistivity Si and SiC, although much less than on SiO2. In addition, we studied the degradation mechanism of MoS2 under ambient conditions using as-grown and preheated mono- and thicker-layered MoS2 films. Thicker-layered MoS2 do not exhibit the growth of dendrites that is characteristic of monolayer degradation. Dendrites are observed to stop at the monolayer-bilayer boundary. Raman and photoluminescence spectra of the aged bilayer and thicker-layered films are comparable to those of as-grown films. We found that greater stability of bilayers and thicker layers supports a previously reported mechanism for monolayer degradation involving Förster resonance energy transfer. As a result, straightforward and scalable 2D materials integration, or air stable heterostructure device fabrication may be easily achieved. Our proposed mechanisms for etching graphene and ambient degradation of MoS2 could catalyze research on realizing …
Date: August 2021
Creator: Femi Oyetoro, John Dideoluwa
System: The UNT Digital Library
Computational Techniques for Accelerated Materials Discovery (open access)

Computational Techniques for Accelerated Materials Discovery

Increasing ubiquity of computational resources has enabled simulation of complex electronic systems and modern materials. The PAOFLOW software package is a tool designed to construct and analyze tight binding Hamiltonians from the solutions of DFT calculations. PAOFLOW leverages localized basis sets to greatly reduce computational costs of post-processing QE simulation results, enabling efficient determination of properties such as electronic density, band structures in the presence of electric or magnetic fields, magnetic or spin circular dichroism, spin-texture, Fermi surfaces, spin or anomalous Hall conductivity (SHC or AHC), electronic transport, and more. PAOFLOW's broad functionality is detailed in this work, and several independent studies where PAOFLOW's capabilities directly enabled research on promising candidates for ferroelectric and spintronic based technologies are described. Today, Quantum computers are at the forefront of computational information science. Materials scientists and quantum chemists can use quantum computers to simulate interacting systems of fermions, without having to perform the iterative methods of classical computing. This dissertation also describes a study where the band structure for silicon is simulated for the first time on quantum hardware and broadens this concept for simulating band structures of generic crystalline structures on quantum machines.
Date: December 2021
Creator: Cerasoli, Franklin
System: The UNT Digital Library
Towards Increased Precision of the 4He:23P1→23P2 Transition Measurement Using Laser Spectroscopy (open access)

Towards Increased Precision of the 4He:23P1→23P2 Transition Measurement Using Laser Spectroscopy

Significant sub-systems were created and others enhanced providing a platform for an order of magnitude precision increase of the small 4He interval - 23P1→23P2 laser spectroscopy measurement, as well as other helium transitions. These measurements serve as tests of helium theory and quantum electro-dynamics in general. Many improvements to the original experiment are discussed and characterized. In particular, counting speed increased 10x, the signal level was doubled, a novel Doppler shift minimization technique was implemented, a control node re-architecture was realized along with many useful features, and the development environment was updated. An initial 28% precision improvement was achieved also providing a foundation for additional gain via a created smaller and more heavily windowed vacuum cavity and picomotor controls.
Date: December 2021
Creator: Cameron, Garnet
System: The UNT Digital Library
A Study of Anomalous Conduction in n-Type Amorphous Silicon and Correlations in Conductivity and Noise in Gold Nanoparticle-Ligand Arrays (open access)

A Study of Anomalous Conduction in n-Type Amorphous Silicon and Correlations in Conductivity and Noise in Gold Nanoparticle-Ligand Arrays

This work explores two very different structural systems: n-type hydrogenated amorphous silicon (a-Si:H) and gold nanoparticles (AuNPs) suspended in a matrix of organic ligands. For a-Si:H, examination of the gas-phase concentration of dopant (1-6% PH3/SiH4) and argon diluent effects includes the temperature dependent conductivity, low-frequency electronic noise, and Raman spectroscopy to examine structure. It is found that a-Si:H samples grown with high dopant concentration or with argon dilution exhibit an anomalous hopping conduction mechanism with an exponent of p=0.75. An experimental approach is used to determine correlations between conduction parameters, such as the pre-exponential factor and the characteristic temperature, rather than an analysis of existing models to explain the anomalous conduction. From these results, the anomalous conduction is a result of a change in the shape of the density of states and not a shift of the Fermi level with dopant. Additionally, it is found that argon dilution increases the carrier mobility, reduces the doping efficiency, and causes a degradation of the short-range order. With AuNPs, a comparison of temperature dependent conductivity and low-frequency noise shows that the temperature coefficient of resistance (TCR) is independent of the length of interparticle distance while the noise magnitude decreases.
Date: August 2021
Creator: Western, Brianna J
System: The UNT Digital Library
Deep Minima and Vortices for Positronium Formation in Positron-Hydrogen and Positron-Helium Collisions (open access)

Deep Minima and Vortices for Positronium Formation in Positron-Hydrogen and Positron-Helium Collisions

This dissertation work is a study of positronium formation for positron-hydrogen and positron-helium collisions in the Ore gap (the energy region between the threshold for ground-state positronium formation and the first excitation level of the target atom) using variational K-matrices. We have fitted the K-matrices using multichannel effective range theories and using polynomials. Using the variational K-matrices and their fits, we have located zeros in the positronium-formation scattering amplitude and corresponding deep minima in the positronium-formation differential cross section. The zeros are related to the vortices in the extended velocity field associated with the positronium-formation scattering amplitude. For positron-hydrogen collisions, we have found two zeros in the positronium-formation scattering amplitude, and corresponding deep minima in the positronium-formation differential cross section, while we have obtained a zero in the positronium-formation scattering amplitude for positron-helium collisions. We have connected the zeros in the positronium-formation scattering amplitude to vortices in the extended velocity fields. Our work shows that vortices can occur for charge exchange in atomic collisions.
Date: May 2021
Creator: Alrowaily, Albandari Wanes
System: The UNT Digital Library
The Electrochemical Etching Process of a Tungsten Wire (open access)

The Electrochemical Etching Process of a Tungsten Wire

This study produced and analyzed shaped tungsten wire tips formed through electrochemical etching. Specifically, the cone length and the radius of curvature of the tip were analyzed. Having the tips move dynamically through an electrolytic solution, such as potassium hydroxide, and tuning the initial starting depth of the tungsten wire along with the dynamic speed of the tungsten wire as it passed throughout the solution allowed various types of tip profiles to be produced. The tip's radius of curvature was able to be reproduced with an accuracy between 88 - 92 %. The method provided would be applicable for the production of various styles of liquid-metal ion source (LMIS) probes and scanning probe microscope (SPM) tips.
Date: August 2021
Creator: Richardson, Aaron Michael
System: The UNT Digital Library
Information and Self-Organization in Complex Networks (open access)

Information and Self-Organization in Complex Networks

Networks that self-organize in response to information are one of the most central studies in complex systems theory. A new time series analysis tool for studying self-organizing systems is developed and demonstrated. This method is applied to interacting complex swarms to explore the connection between information transport and group size, providing evidence for Dunbar's numbers having a foundation in network dynamics. A complex network model of information spread is developed. This network infodemic model uses reinforcement learning to simulate connection and opinion adaptation resulting from interaction between units. The model is applied to study polarized populations and echo chamber formation, exploring strategies for network resilience and weakening. The model is straightforward to extend to multilayer networks and networks generated from real world data. By unifying explanation and prediction, the network infodemic model offers a timely step toward understanding global collective behavior.
Date: December 2021
Creator: Culbreth, Garland
System: The UNT Digital Library

Modeling, Characterization, and Magnetic Behavior of Transition Metal Nanosystems Synthesized in Silicon Using Low Energy Ion Implantation

Magnetic nano-clusters in silicon involving iron and cobalt were synthesized using low energy (50 keV) ion implantation technique and post-implantation thermal annealing. Before the irradiation, multiple ion-solid interaction simulations were carried out to estimate optimal ion energy and fluence for each experiment. For high-fluence low-energy irradiation of heavy ions in a relatively lighter substrate, modeling the ion irradiation process using dynamic code SDTrimSP showed better agreement with the experimental results compared to the widely used static simulation code TRIM. A saturation in concentration (~ 48%) profile of the 50 keV Fe or Co implants in Si was seen at a fluence of ~ 2 × 1017 ions/cm2. Further study showed that for structures with a curved surface, particularly for nanowires, better simulation results could be extracted using a code "Iradina" as the curve geometry of the target surface can be directly defined in the input file. The compositional, structural, and magnetic properties were studied using Rutherford backscattering spectrometry, X-ray photoelectron spectroscopy, X-ray diffraction, atom probe tomography, and vibrating sample magnetometry. Irradiation of high-current (~ 2 μA/cm2) 50 keV Fe ions into Si at a fluence of 2 × 1017 ions/cm2 showed the formation of Fe5Si3 nano structures in the near-surface …
Date: May 2021
Creator: Singh, Satyabrata
System: The UNT Digital Library

Investigation of Room Temperature Soft Ferromagnetism in Indium Phosphide Substrate Synthesized via Low Energy Nickel Ion Implantation

In this work, we have utilized an ion beam process known as gettering to migrate implanted Ni ions much deeper into the bulk substrate than their initial projected end of the range. The projected mean depth is known as Rp. The gettering effect is the most crucial part of the fabrication and we have found that for an H fluence of 3x 1016 cm-2 there is a threshold fluence of approximately 7.5 x 1015 cm-2 that cannot be surpassed if the gettering process is to be completed along with the substrate recovered to the high crystalline quality. This hard threshold is due to the gettering process relaxation induced mechanism that is responsible for migrating the Ni to the Rp/2 location while the H is vacating during the thermal annealing process. If the total number of vacancies produced by the H dissociation is not substantially larger than the total number of implanted Ni atoms the Ni will migrate to the Rp location of the Ni implantation at the amorphous and crystalline interface and toward the surface. When the gettering condition is not met the resulting magnetic responses vary from an exceptionally weak ferromagnetic response to not exhibiting a magnetic response. Additionally, …
Date: May 2021
Creator: Jones, Daniel C.
System: The UNT Digital Library