118 Matching Results

Search Results

Results: 1 - 24 next
open access

Band Theory and Beyond: Applications of Quantum Algorithms for Quantum Chemistry

Description: In the past two decades, myriad algorithms to elucidate the characteristics and dynamics of molecular systems have been developed for quantum computers. In this dissertation, we explore how these algorithms can be adapted to other fields, both to closely related subjects such as materials science, and more surprising subjects such as information theory. Special emphasis is placed on the Variational Quantum Eigensolver algorithm adapted to solve band structures of a periodic system; three distin… more
Date: May 2022
Creator: Sherbert, Kyle Matthew
Item Type: Refine your search to only Thesis or Dissertation
Partner: UNT Libraries
open access

Theoretical and Experimental Investigations Concerning Microgels of Varied Spherical Geometries

Description: Polymer gels have been studied extensively due to their ability to simulate biological tissues and to swell or collapse reversibly in response to external stimuli. This work presents a variety of studies using poly-N-isopropylacrylamide (PNIPA) hydrogels. The projects have been carried out both in the lab of Dr. Zhibing Hu and in collaboration with others outside of UNT: (1) an analysis of the swelling kinetics of microgel spherical shells prepared using a novel design of microfluidic devices; … more
Date: August 2012
Creator: Wahrmund, Joshua Joseph
Item Type: Refine your search to only Thesis or Dissertation
Partner: UNT Libraries
open access

Synthesis and Physical Properties of Environmentally Responsive Polymer Gels

Description: Polymer gels undergo the volume phase transition in response to an infinitesimal environmental change. This remarkable phenomenon results in many potential applications of polymer gels. This dissertation systematically investigates the chemical and physical properties of polymer gels. It is found that infrared radiation laser not only induces a volume phase transition in N-isopropylacrylamide (NIPA) gel, but also causes the gel to bend toward the laser beam. The transmission of visible laser li… more
Date: May 1996
Creator: Zhang, Xiaomin
Item Type: Refine your search to only Thesis or Dissertation
Partner: UNT Libraries

Ongoing Developments on Continuum Solvation Models

Description: This work explores a continuum representation for diffuse layer models, thereby endowing continuum embedding models the ability to capture electrostatic phenomena in the environment such as the existence of electrolyte ions, and the nature of ionic liquids. It introduces a new field-aware continuum model that adjusts the size of the quantum regime per atom based on the distribution of charge in a system. The model accounts for the asymmetric nature of solvent distribution when applied to cation… more
Date: May 2022
Creator: Truscott, Matthew Anthony Si Ren
Item Type: Refine your search to only Thesis or Dissertation
Partner: UNT Libraries
open access

Temperature Dependency of Some of the Thermodynamical Properties of Aqueous Binary-Mixture Systems

Description: The temperature dependence of the refractive index and the density of aqueous binary mixtures of water and ethyl alcohol (C₂H₅OH) were measured by using a modified Michelson interferometer and a narrow glass capillary tube over the temperature range of 278≤T≤353 K for solutions of 100, 75,65, 50, 25, 10 and 0 volume percent ethyl alcohol. The temperature was cycled over both increasing and decreasing directions to explore hysteresis in the cycling. The data are discussed and compared with the L… more
Date: August 1996
Creator: Zheng, Yueming
Item Type: Refine your search to only Thesis or Dissertation
Partner: UNT Libraries
open access

Quantum Coherent Control and Propagation in Lambda System

Description: Strong coherence in quasi-resonant laser driven system interferes with effective relaxations, resulting in behaviors like, coherent population trapping and Electromagnetically induced transparency. The Raman system can optimize this utilizing excited coherence in the lambda system when exposed to counter- intuitive pump-stokes pulses. The phenomenon can result in complete population transfer between vibrational levels called Stimulated Raman adiabatic passage(STIRAP). STIRAP and CHIRAP have bee… more
Date: May 2016
Creator: Singh, Pooja, 1983-
Item Type: Refine your search to only Thesis or Dissertation
Partner: UNT Libraries
open access

Nanoscale Materials Applications: Thermoelectrical, Biological, and Optical Applications with Nanomanipulation Technology

Description: In a sub-wavelength scale, even approaching to the atomic scale, nanoscale physics shows various novel phenomena. Since it has been named, nanoscience and nanotechnology has been employed to explore and exploit this small scale world. For example, with various functionalized features, nanowire (NW) has been making its leading position in the researches of physics, chemistry, biology, and engineering as a miniaturized building block. Its individual characteristic shows superior and unique featur… more
Date: August 2011
Creator: Lee, Kyung-Min
Item Type: Refine your search to only Thesis or Dissertation
Partner: UNT Libraries
open access

Zinc Oxide Nanoparticles for Nonlinear Bioimaging, Cell Detection and Selective Cell Destruction

Description: Light matter interactions have led to a great part of our current understanding of the universe. When light interacts with matter it affects the properties of both the light and the matter. Visible light, being in the region that the human eye can "see," was one of the first natural phenomenon we used to learn about our universe. The application of fundamental physics research has spilled over into other fields that were traditionally separated from physics, being considered two different scien… more
Date: May 2013
Creator: Urban, Ben E.
Item Type: Refine your search to only Thesis or Dissertation
Partner: UNT Libraries
open access

Multifunctional Organic-Inorganic Hybrid Nanophotonic Devices

Description: The emergence of optical applications, such as lasers, fiber optics, and semiconductor based sources and detectors, has created a drive for smaller and more specialized devices. Nanophotonics is an emerging field of study that encompasses the disciplines of physics, engineering, chemistry, biology, applied sciences and biomedical technology. In particular, nanophotonics explores optical processes on a nanoscale. This dissertation presents nanophotonic applications that incorporate various fo… more
Date: May 2008
Creator: Garner, Brett William
Item Type: Refine your search to only Thesis or Dissertation
Partner: UNT Libraries
open access

Computational Studies of Selected Ruthenium Catalysis Reactions.

Description: Computational techniques were employed to investigate pathways that would improve the properties and characteristics of transition metal (i.e., ruthenium) catalysts, and to explore their mechanisms. The studied catalytic pathways are particularly relevant to catalytic hydroarylation of olefins. These processes involved the +2 to +3 oxidation of ruthenium and its effect on ruthenium-carbon bond strengths, carbon-hydrogen bond activation by 1,2-addition/reductive elimination pathways appropriate … more
Date: December 2007
Creator: Barakat, Khaldoon A.
Item Type: Refine your search to only Thesis or Dissertation
Partner: UNT Libraries

Extending the Capabilities of Continuum Embeddings in First-Principle Simulations of Materials

Description: In recent years, continuum models of solvation have had exceptional success in materials simulations as well as condensed matter physics. They can easily capture the effects of disordered systems, such as neutral liquids or electrolytes solutions, on material interfaces without the need for expensive statistical sampling. The Environ library (www.quantum-environ.org) implements different continuum models and correction schemes, which is the focus of this presentation. Recently refactored into a… more
This item is restricted from view until June 1, 2024.
Date: May 2023
Creator: Medrano, Gabriel
Item Type: Refine your search to only Thesis or Dissertation
Partner: UNT Libraries
open access

Computational Techniques for Accelerated Materials Discovery

Description: 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… more
Date: December 2021
Creator: Cerasoli, Franklin
Item Type: Refine your search to only Thesis or Dissertation
Partner: UNT Libraries
open access

Degradation Mechanisms and Dynamics of Silicon Telluride: A Guide to the Effective Fabrication and Characterization of Silicon Telluride-Based Devices

Description: Silicon telluride (Si2Te3) and many other tellurium containing compounds show emergent Raman peaks located at ~120 cm-1 and ~140 cm-1 as they age. The origin of these two emergent peaks is controversial in the literature and has been attributed to myriad causes such as the intrinsic Raman modes of the telluride materials, surface oxidation, defects, double resonances, and tellurium precipitates. The controversial nature of these peaks has led to the misidentification of highly degraded materia… more
Date: December 2023
Creator: Hathaway, Evan Allen
Item Type: Refine your search to only Thesis or Dissertation
Partner: UNT Libraries
open access

CO₂-Laser Induced Hot Electron Magneto-Transport Effects in n-InSb

Description: The effects of optical heating via infrared free carrier absorption on the electron magneto-transport properties of n-InSb at helium temperatures have been studied for the first time. Oscillatory photoconductivity (OPC) type structure is seen in the photon energy dependence of the transport properties. A C0₂ laser (hω = 115 to 135 meV) was used as the optical source. Concentrations between 1 x 10¹⁵ cm⁻³ and 2 x 10¹⁶ cm⁻³ were studied. The conclusions of this study are that the energy relaxatio… more
Date: August 1979
Creator: Moore, Bradley T.
Item Type: Refine your search to only Thesis or Dissertation
Partner: UNT Libraries
open access

Accelerator Mass Spectrometry Studies of Highly Charged Molecular Ions

Description: The existence of singly, doubly, and triply charged diatomic molecular ions was observed by using an Accelerator Mass Spectrometry (AMS) technique. The mean lifetimes of 3 MeV boron diatomic molecular ions were measured. No isotopic effects on the mean lifetimes of boron diatomic molecules were observed for charge state 3+. Also, the mean lifetime of SiF^3+ was measured.
Date: December 1994
Creator: Kim, Yong-Dal
Item Type: Refine your search to only Thesis or Dissertation
Partner: UNT Libraries
open access

Exploring Growth Kinematics and Tuning Optical and Electronic Properties of Indium Antimonide Nanowires

Description: This dissertation work is a study of the growth kinematics, synthesis strategies and intrinsic properties of InSb nanowires (NWs). The highlights of this work include a study of the effect of the growth parameters on the composition and crystallinity of NWs. A change in the temperature ramp-up rate as the substrate was heated to reach the NW growth temperature resulted in NWs that were either crystalline or amorphous. The as-grown NWs were found to have very different optical and electrical pro… more
Date: December 2018
Creator: Algarni, Zaina Sluman
Item Type: Refine your search to only Thesis or Dissertation
Partner: UNT Libraries

Synthesis, Modification, and Analysis of Silicate Cosmic Dust Analogues Using Ion-Beam Techniques

Description: Silicates analogous to cosmic dust were synthesized, modified, and analyzed utilizing ion-beam techniques with Rutherford backscattering spectrometry (RBS) and x-ray diffraction (XRD). Silicate dust is a common constituent in interstellar space, with an estimated 50% of dust produced in the stellar winds of M class Asymptotic Giant Branch (AGB) stars. Silicate dust acts as a surface upon which other chemicals may form (water ice for example), increasing significance in the cosmochemistry field,… more
Date: August 2020
Creator: Young, Joshua Michael
Item Type: Refine your search to only Thesis or Dissertation
Partner: UNT Libraries

PAOFLOW-Aided Computational Materials Design

Description: Functional materials are essential to human welfare and to provide foundations for emerging industries. As an alternative route to experimental materials discovery, computational materials designs are playing an increasingly significant role in the whole discovery process. In this work, we use an in-house developed python utility: PAOFLOW, which generates finite basis Hamiltonians from the projection of first principles plane-wave pseudopotential wavefunctions on pseudo atomic orbitals(PAO) for… more
Access: Restricted to UNT Community Members. Login required if off-campus.
Date: December 2019
Creator: Wang, Haihang
Item Type: Refine your search to only Thesis or Dissertation
Partner: UNT Libraries
open access

The Physics of Gaseous Exposures on Active Field Emission Microcathode Arrays

Description: The interaction of active molybdenum field emission microcathode arrays with oxygen, water, carbon dioxide, methane, hydrogen and helium gases was studied. Experiments were setup to measure the emission characteristics as a function of gas exposures. The resulting changes in the surface work function of the tips were determined from the Fowler-Nordheim plots. The kinetics of the FEA-gas interaction were studied by observing the ion species originating from the array during and after gas exposur… more
Date: September 1996
Creator: Chalamala, Babu Reddy
Item Type: Refine your search to only Thesis or Dissertation
Partner: UNT Libraries
open access

Nonlinear Optical Absorption and Refraction Study of Metallophthalocyanine Dyes

Description: This dissertation deals with the characterization of the nonlinear absorption and refraction of two representative metallophthalocyanine dyes: chloro aluminum phthalocyanine dissolved in methanol, referred to as CAP, and a silicon naphthalocyanine derivative dissolved in toluene, referred to as SiNc. Using the Z-scan technique, the experiments are performed on both the picosecond and nanosecond timescales at a wavelength of 0.532 μm.
Date: December 1992
Creator: Wei, Tai-Huei
Item Type: Refine your search to only Thesis or Dissertation
Partner: UNT Libraries
open access

Fluorine Adsorption and Diffusion in Polycrystalline Silica

Description: The measurement of fluorine penetration into archeological flint artifacts using Nuclear Reaction Analysis (NRA) has been reported to be a potential dating method. However, the mechanism of how fluorine is incorporated into the flint surface, and finally transported into the bulk is not well understood. This research focuses on the study of the fluorine uptake phenomenon of flint mineral in aqueous fluoride solutions. Both theoretical and experimental approaches have been carried out. In a theo… more
Date: December 1998
Creator: Jin, Jian-Yue
Item Type: Refine your search to only Thesis or Dissertation
Partner: UNT Libraries

Fabrication of Nano-Channel Templates and a Study of the Electrical and Magnetic Properties of Nanowires Grown in Template Pores

Description: This thesis is a study of the structural, electrical and magnetic properties of indium antimonide (InSb) nanowires (NWs), that were synthesized by a template-assisted ordered growth technique via electrochemical deposition. InSb was chosen for this study because of its intrinsic properties that make it a material of choice for applications in high channel mobility, infrared (IR) sensing, thermoelectrics, and magnetoresistive sensing martials. This work has four main components: (i) Growth in co… more
Date: May 2020
Creator: Singh, Abhay Pratap
Item Type: Refine your search to only Thesis or Dissertation
Partner: UNT Libraries
open access

Theoretical and Experimental Investigations of Peg Based Thermo Sensitive Hydro Microgel

Description: Poly ethylene glycol (PEG) based microgels were synthesized and investigated. The PEG microgel has the same phase transition as the traditional poly N-isopropylacrylamide (PNIPAM). As a good substitute of PNIPAM, PEG microgel exhibits many advantages: it is easier to control the lower critical solution temperature (LCST) of the microgel by changing the component of copolymers; it has a more solid spherical core-shell structure to have a double thermo sensitivity; it is straightforward to add ot… more
Date: December 2012
Creator: Chi, Chenglin
Item Type: Refine your search to only Thesis or Dissertation
Partner: UNT Libraries
Back to Top of Screen