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Theoretical Investigations Of The Structural, Dynamical, Electronic, Magnetic, And Thermoelectric Properties Of Corhysi (Y = Cr, Mn) Quaternary Heusler Alloys, Abdullah Hussain Hzzazi

Graduate Theses and Dissertations

Thermoelectric materials have potential properties for utilizing waste heat. The computations are used to estimate the electronic structure of CoRhYSi (Y = Cr, Mn) Quaternary Heusler alloys, as well as their elastic and magnetic characteristics. The full-potential linearized augmented plane wave is used in the calculations. The exchange-correlations are addressed using Perdew–Burke and Ernzerhof's generalized gradient approximation (GGA-PBE). With the exception of CoRhCrSi and CoRhMnSi, which are simple ferromagnets that are approximately half metallic in nature, electronic structure calculations demonstrate that these compounds have a gap in the minority states band and are obviously half-metallic ferromagnets. The magnetic moments of …

Interplay Between The Lattice And Spin Degrees Of Freedom In Magnetoelectric And Magnetic Materials, Temuujin Bayaraa

Graduate Theses and Dissertations

This dissertation contains several investigations on the cross-coupling between structural and spin degrees of freedom in multiferroic and ferrimagnetic compounds by means of first-principles calculations and ab-initio-based Monte-Carlo simulations. We start with the reviews of magnetoelectricity, ferrimagnetism, strain engineering, followed by a brief introduction to first-principles computational methods, magnetic effective Hamiltonians, and other techniques that are utilized here. The results section of the dissertation can be divided into two parts. The first half focuses on magnetoelectric effects arising from different sources, while the second half is about the ferrimagnetic nature of materials. In the first part, we examine the epitaxial …

2d Vs 3d Tracking In Bacterial Motility Analysis, Jacqueline Acres, Jay Nadeau

Physics Faculty Publications and Presentations

Digital holographic microscopy provides the ability to observe throughout a large volume without refocusing. This capability enables simultaneous observations of large numbers of microorganisms swimming in an essentially unconstrained fashion. However, computational tools for tracking large 4D datasets remain lacking. In this paper, we examine the errors introduced by tracking bacterial motion as 2D projections vs. 3D volumes under different circumstances: bacteria free in liquid media and bacteria near a glass surface. We find that while XYZ speeds are generally equal to or larger than XY speeds, they are still within empirical uncertainties. Additionally, when studying dynamic surface behavior, the …

Adsorption Of Helium On A Charged Propeller Molecule: Hexaphenylbenzene, Siegfried Kollotzek, Florent Calvo, Serge Krasnokutski, Fabio Zappa, Paul Scheier, Olof E. Echt

Faculty Publications

Physisorption on planar or curved graphitic surfaces or aromatic rings has been investigated by various research groups, but in these studies the substrate was usually strictly rigid. Here we report a combined experimental and theoretical study of helium adsorption on cationic hexaphenylbenzene (HPB), a propeller-shaped molecule. The orientation of its propeller blades is known to be sensitive to the environment, with substantial differences between the molecule in the gas phase and in the crystalline solid. Mass spectra of He_nHPB⁺, synthesized in helium nanodroplets, indicate enhanced stability for ions containing n = 2, 4, 14, 28, 42, …

Role Played By Edge-Defects In The Optical Properties Of Armchair Graphene Nanoribbons, Thi-Nga Do, Godfrey Gumbs, Danhong Huang, Bui D. Hoi, Po-Hsin Shih

Publications and Research

We explore the implementation of specific optical properties of armchair graphene nanoribbons (AGNRs) through edge-defect manipulation. This technique employs the tight-binding model in conjunction with the calculated absorption spectral function. Modification of the edge states gives rise to the diverse electronic structures with striking changes in the band gap and special flat bands at low energy. The optical-absorption spectra exhibit unique excitation peaks, and they strongly depend on the type and period of the edge extension. Remarkably, there exist the unusual transition channels associated with the flat bands for selected edge-modified systems. We discovered the special rule governing how the …

Two-Dimensional Steady Boussinesq Convection: Existence, Computation And Scaling, Jeremiah S. Lane, Benjamin F. Akers

Faculty Publications

This research investigates laser-induced convection through a stream function-vorticity formulation. Specifically, this paper considers a solution to the steady Boussinesq Navier–Stokes equations in two dimensions with a slip boundary condition on a finite box. A fixed-point algorithm is introduced in stream function-vorticity variables, followed by a proof of the existence of steady solutions for small laser amplitudes. From this analysis, an asymptotic relationship is demonstrated between the nondimensional fluid parameters and least upper bounds for laser amplitudes that guarantee existence, which accords with numerical results implementing the algorithm in a finite difference scheme. The findings indicate that the upper bound …

Magnetic Dual Chiral Density Wave: A Candidate Quark Matter Phase For The Interior Of Neutron Stars, Efrain J. Ferrer, Vivian De La Incera

Physics & Astronomy Faculty Publications

n this review, we discuss the physical characteristics of the magnetic dual chiral density wave (MDCDW) phase of dense quark matter and argue why it is a promising candidate for the interior matter phase of neutron stars. The MDCDW condensate occurs in the presence of a magnetic field. It is a single-modulated chiral density wave characterized by two dynamically generated parameters: the fermion quasiparticle mass m and the condensate spatial modulation q. The lowest-Landau-level quasiparticle modes in the MDCDW system are asymmetric about the zero energy, a fact that leads to the topological properties and anomalous electric transport exhibited by …

Interferometric Lithography- An Approach To Large Area And Cost Effective Nanopatterning, Vineeth Sasidharan

Optical Science and Engineering ETDs

In this dissertation interferometric lithography is approached in two different ways to address two important constraints of nanopatterning. One approach solves the problem of scaling up interferometric lithography to wafer scale (4 inch or larger) area. Through the second approach we have developed a nanopatterning technique based on interferometric lithography by using an inexpensive (~$100) diode laser as source, making interferometric lithography a very cost-effective technique.

Wafer-scale large-area nanopatterning was developed using an amplitude grating mask as a grating beam splitter along with spatial averaging of laser intensity by wobbling. The longitudinal and transverse coherence issues both are eased by …

Precise Measurement Of The D0 And D+ Lifetimes At Belle Ii, F. Abudin´En, I. Adachi, K. Adamczyk, L. Aggarwal, H. Ahmed, H. Aihara, N. Akopov, A. Aloisio, N. Anh Ky, D. M. Asner, H. Atmacan, V. Aushev, V. Babu, S. Bacher, H. Bae, S. Baehr, S. Bahinipati, P. Bambade, Milind Purohit, Et. Al.

Faculty Publications

We report a measurement of the D⁰ and D⁺ lifetimes using D⁰ → K⁻π⁺ and D⁺ → K⁻π⁺π⁺ decays reconstructed in e⁺e⁻ → cc̅ data recorded by the Belle II experiment at the SuperKEKB asymmetricenergy e⁺e⁻ collider. The data, collected at center-of-mass energies at or near the ϒ(4S) resonance, correspond to an integrated luminosity of 72 fb⁻¹. The results, _τ(D⁰) = 410.5 plusmn;1.1_(stat) 0.8(syst) fs and τ(D⁺) = 1030.4 plusmn; 4.7(stat) 3.1(syst) …

Operational Detection Of Sun Glints In Dscovr Epic Images, Tamás Várnai, Alexander Marshak, Alexander Kostinski

Michigan Tech Publications, Part 1

Satellite images often feature sun glints caused by the specular reflection of sunlight from water surfaces or from horizontally oriented ice crystals occurring in clouds. Such glints can prevent accurate retrievals of atmospheric and surface properties using existing algorithms, but the glints can also be used to infer more about the glint-causing objects—for example about the microphysical properties and radiative effects of ice clouds. This paper introduces the recently released operational glint product of the Earth Polychromatic Camera (EPIC) onboard the Deep Space Climate Observatory (DSCOVR) spacecraft. Most importantly, the paper describes the algorithm used for generating the key component …

Effect Of Pressure On The Electrical Transport And Structural Properties Of Ybnio3, Mostafa Gala El Dine Zeama

Archived Theses and Dissertations

No abstract provided.

Single-Molecule Localization Microscopy Of 3d Orientation And Anisotropic Wobble Using A Polarized Vortex Point Spread Function, Tianben Ding, Matthew D. Lew

Electrical & Systems Engineering Publications and Presentations

Within condensed matter, single fluorophores are sensitive probes of their chemical environments, but it is difficult to use their limited photon budget to image precisely their positions, 3D orientations, and rotational diffusion simultaneously. We demonstrate the polarized vortex point spread function (PSF) for measuring these parameters, including characterizing the anisotropy of a molecule’s wobble, simultaneously from a single image. Even when imaging dim emitters (∼500 photons detected), the polarized vortex PSF can obtain 12 nm localization precision, 4°–8° orientation precision, and 26° wobble precision. We use the vortex PSF to measure the emission anisotropy of fluorescent beads, the wobble dynamics …

Search For Active-Sterile Antineutrino Mixing Using Neutral-Current Interactions With The Nova Experiment, M. A. Acero, P. Adamson, L. Aliaga, N. Anfimov, A. Antoshkin, E. Arrieta-Diaz, L. Asquith, A. Aurisano, A. Back, C. Backhouse, M. Baird, N. Balashov, P. Baldi, B. A. Bambah, S. Bashar, K. Bays, R. Bernstein, B. Bhatnagar, B. Bhuyan, J. Bian, Roberto Petti, Et. Al.

Faculty Publications

This Letter reports results from the first long-baseline search for sterile antineutrinos mixing in an accelerator-based antineutrino-dominated beam. The rate of neutral-current interactions in the two NOvA detectors, at distances of 1 and 810 km from the beam source, is analyzed using an exposure of 12.51×10²⁰ protons-on-target from the NuMI beam at Fermilab running in antineutrino mode. A total of 121 of neutral-current candidates are observed at the far detector, compared to a prediction of 122±11(stat.)±15(syst.) assuming mixing only between three active flavors. No evidence for ⊽ _{μ →} ⊽ _s oscillation is observed. Interpreting this result within a …

Exploring Dft+U Parameter Space With A Bayesian Calibration Assisted By Markov Chain Monte Carlo Sampling, Pedram Tavadze, Reese Boucher, Guillermo Avendaño-Franco, Keenan X. Kocan, Sobhit Singh, Viviana Dovale-Farelo, Wilfredo Ibarra-Hernández, Matthew B. Johnson, David S. Mebane, Aldo H. Romero

Faculty & Staff Scholarship

The density-functional theory is widely used to predict the physical properties of materials. However, it usually fails for strongly correlated materials. A popular solution is to use the Hubbard correction to treat strongly correlated electronic states. Unfortunately, the values of the Hubbard U and J parameters are initially unknown, and they can vary from one material to another. In this semi-empirical study, we explore the U and J parameter space of a group of iron-based compounds to simultaneously improve the prediction of physical properties (volume, magnetic moment, and bandgap). We used a Bayesian calibration assisted by Markov chain Monte Carlo …

Athena: A Unique Radiation Environment Platform At The National Ignition Facility, Nicholas J. Quartemont, George Peterson, Colton Moran, Adib J. Samin, Buguo Wang, Charles Yeamans, Brandon Woodworth, Darren Holland, James C. Petrosky, James E. Bevins

Faculty Publications

This paper describes the ATHENA platform, an energy tuning assembly, which was developed to spectrally shape the National Ignition Facility (NIF) deuterium–tritium fusion neutron source to a thermonuclear (fusion) plus prompt fission neutron spectrum with a capability to act as a short-pulse neutron source. This unique, otherwise inaccessible radiation environment complements existing experimental facilities and capabilities. The flexible ATHENA irradiation positions were modeled using an ensemble of Monte Carlo simulations with stochastic sampling of the nuclear cross-sections to characterize the radiation environments and uncertainty for the platform. Validation of the internal neutron spectrum produced from fielding ATHENA at NIF occurred …

Crystal Structure Prediction Of Materials At Extreme Conditions, Ashley S. Williams

USF Tampa Graduate Theses and Dissertations

The prediction of the structure of a crystal given only the constituent elements is one of the greatest challenges in both materials science and computational science alike. If one were to try to predict a novel crystal by brute force, meaning by arranging the atoms in every possible position of the unit cell and optimizing the geometry to find the energy minima of the potential energy surface, the amount of computer resources required to complete the calculation on the timescale of a few years would vastly exceed the currently installed computational capacity of the entire world. Fortunately, several methods have …

Geodetic Model For Teaching Motion On The Earth's Spheroidal Surface, Boyd F. Edwards, John M. Edwards

All Physics Faculty Publications

We explore the forces that shape our spheroidal Earth and the forces that govern the motion of a puck that slides without friction on its surface. The Earth's stable spheroidal shape (apart from small-scale surface features) is determined by balancing the gravitational forces that hold it together against the centrifugal forces that try to tear it apart. The motion of a puck on its surface differs profoundly from motion on a sphere because the Earth's spheroidal deformations neutralize the centrifugal and gravitational forces on the puck, leaving only the Coriolis force to govern the motion. Yet the Earth's spheroidal deformations …

Carbon And Other Low-Z Materials Under Extreme Conditions, Jonathan T. Willman

USF Tampa Graduate Theses and Dissertations

This work is focused on understanding material's behavior and response to extreme conditions. Under extreme conditions, which is categorized as regions of high pressures and temperatures in (P-T) space, materials can undergo multiple types of phase transitions as well as exhibit substantial damage as well as other exotic behaviors. By studying matter at these extreme conditions, we can elucidate a broad range of fundamental physics including a material's energetic, mechanical, and electronic responses. This thesis describes work that makes contributions to the growing body of knowledge within these subsets of condensed matter physics. In the first thrust, crystal structure prediction …

Optically Active Selenium Vacancies In Baga4Se7 Crystals, Brian C. Holloway, Timothy D. Gustafson, Christopher A. Lenyk, Nancy C. Giles, Kevin T. Zawilski, Peter G. Schunemann, Kent L. Averett, Larry E. Halliburton

Faculty Publications

Barium gallium selenide (BaGa₄Se₇) is a recently developed nonlinear optical material with a transmission window extending from 470 nm to 17 μm. A primary application of these crystals is the production of tunable mid-infrared laser beams via optical parametric oscillation. Unintentional point defects, such as selenium vacancies, cation vacancies (barium and/or gallium), and trace amounts of transition-metal ions, are present in BaGa₄Se₇ crystals and may adversely affect device performance. Electron paramagnetic resonance (EPR) and optical absorption are used to identify and characterize these defects. Five distinct EPR spectra, each representing an electron …

Hα Reverberation Mapping Of The Intermediate-Mass Active Galactic Nucleus In Ngc 4395, Hojin Cho, Jong-Hak Woo, Tommaso Treu, Peter R. Williams, Stephen F. Armen, Aaron J. Barth, Vardha N. Bennert, Wanjin Cho, Alexei V. Filippenko, Elena Gallo, Jaehyuk Geum, Diego González-Buitrago, Kayhan Gültekin, Edmund Hodges-Kluck, John C. Horst, Seong Hyeon Hwang, Wonseok Kang, Minjin Kim, Taewoo Kim, Douglas C. Leonard, Matthew A. Malkan, Raymond P. Remigio, David J. Sand, Jaejin Shin, Donghoon Son, Hyun-Il Sung, Vivian U

Physics

We present the results of a high-cadence spectroscopic and imaging monitoring campaign of the active galactic nucleus (AGN) of NGC 4395. High signal-to-noise-ratio spectra were obtained at the Gemini-N 8 m telescope using the GMOS integral field spectrograph (IFS) on 2019 March 7 and at the Keck I 10 m telescope using the Low-Resolution Imaging Spectrometer with slit masks on 2019 March 3 and April 2. Photometric data were obtained with a number of 1 m-class telescopes during the same nights. The narrow-line region (NLR) is spatially resolved; therefore, its variable contributions to the slit spectra make the standard procedure …

Comparison Of Charge Deposition Profiles In Polymers Irradiated With Monoenergetic Electrons: Pulsed Electroacoustic Measurements And Af-Numit3 Modeling, Zachary Gibson, Jr Dennison, Brian Beecken

Physics Student Research

Successful spacecraft design and charging mitigation techniques require precise and accurate knowledge of charge deposition profiles. This paper compares models of charge deposition and transport using a venerable deep dielectric charging code, AF-NUMIT3, with direct measurements of charge profiles via pulsed electroacoustic (PEA) measurements. Eight different simulations were performed for comparison to PEA experiments of samples irradiated by 50 keV or 80 keV monoenergetic electrons in vacuum and at room temperature. Two materials, polyether-ether ketone (PEEK) and polytetrafluoroethylene (PTFE), were chosen for their very low conductivities so that minimal charge migration would occur between irradiation and PEA measurements. PEEK was …

The Ionic Selectivity Of Lysenin Channels In Open And Sub-Conducting States, Andrew Bogard, Pangaea W. Finn, Fulton Mckinney, Ilinca M. Flacau, Aviana R. Smith, Rosey Whiting, Daniel Fologea

Physics Faculty Publications and Presentations

The electrochemical gradients established across cell membranes are paramount for the execution of biological functions. Besides ion channels, other transporters, such as exogenous pore-forming toxins, may present ionic selectivity upon reconstitution in natural and artificial lipid membranes and contribute to the electrochemical gradients. In this context, we utilized electrophysiology approaches to assess the ionic selectivity of the pore-forming toxin lysenin reconstituted in planar bilayer lipid membranes. The membrane voltages were determined from the reversal potentials recorded upon channel exposure to asymmetrical ionic conditions, and the permeability ratios were calculated from the fit with the Goldman–Hodgkin–Katz equation. Our work shows that …

Identification Of An Intermediate Species Along The Nitrile Hydratase Reaction Pathway By Epr Spectroscopy, Wasantha Lankathilaka Karunagala Pathiranage, Natalie Gumataotao, Adam T. Fiedler, Richard C. Holz, Brian Bennett

Physics Faculty Research and Publications

A new method to trap catalytic intermediate species was employed with Fe-type nitrile hydratase from Rhodococcus equi TG328-2 (ReNHase). ReNHase was incubated with substrates in a 23% (w/w) NaCl/H₂O eutectic system that remained liquid at −20 °C, thereby permitting the observation of transient species that were present at electron paramagnetic resonance (EPR)-detectable levels in samples frozen while in the steady state. Fe^III-EPR signals from the resting enzyme were unaffected by the presence of 23% NaCl, and the catalytic activity was ∼55% that in the absence of NaCl at the optimum pH of 7.5. …

Technique To Solve Linear Fractional Differential Equations Using B-Polynomials Bases, Muhammad I. Bhatti, Md. Habibur Rahman

Physics & Astronomy Faculty Publications

A multidimensional, modified, fractional-order B-polys technique was implemented for finding solutions of linear fractional-order partial differential equations. To calculate the results of the linear Fractional Partial Differential Equations (FPDE), the sum of the product of fractional B-polys and the coefficients was employed. Moreover, minimization of error in the coefficients was found by employing the Galerkin method. Before the Galerkin method was applied, the linear FPDE was transformed into an operational matrix equation that was inverted to provide the values of the unknown coefficients in the approximate solution. A valid multidimensional solution was determined when an appropriate number of basis sets …

Uncertainty Analysis For Ccd-Augmented Casi® Brdf Measurement System, Todd V. Small, Samuel D. Butler, Michael A. Marciniak

Faculty Publications

This work presents a measurement uncertainty analysis for a system designed to simultaneously capture specular in-plane and out-of-plane bidirectional reflectance distribution function (BRDF) data with high spatial resolution by augmenting the Complete Angle Scatter Instrument (CASI®) with a charge-coupled device (CCD) camera. Various scatter flux, incident flux, scatter angle, and detector solid angle uncertainty contributions are considered and evaluated based on imperfectly known system parameters. In particular, incident flux temporal fluctuation, detector noise and non-linearity, and out-of-plane aperture misalignment considerations each require significant adjustment from original CASI® uncertainty analysis, and expressions for neutral density (ND) filter, scatter angle, and solid …

Correcting Correlation Functions For Redshift-Dependent Interloper Contamination, Daniel J. Farrow, Ariel G. Sánchez, Robin Ciardullo, Shun Saito, For Full List Of Authors, See Publisher's Website.

Physics Faculty Research & Creative Works

The construction of catalogues of a particular type of galaxy can be complicated by interlopers contaminating the sample. In spectroscopic galaxy surveys this can be due to the misclassification of an emission line; for example in the Hobby-Eberly Telescope Dark Energy Experiment (HETDEX) low-redshift [O ii] emitters may make up a few per cent of the observed Ly α emitter (LAE) sample. The presence of contaminants affects the measured correlation functions and power spectra. Previous attempts to deal with this using the cross-correlation function have assumed sources at a fixed redshift, or not modelled evolution within the adopted redshift bins. …

Development Of A Methodology For Data Integration Of Multiple Datasets In The Study Of Martian Dust Storms, Rawdha Majid Al Bedwawi

Theses

The research investigates the distribution of dust on mars. In general, the study is inspired by the need to provide findings that will improve the study about extraterrestrial phenomena. The research explains the practical effects of extraterrestrial physics considering it entails assessing the extraterrestrial matter. The research seeks to validate the correctness of multiannual data pretending to the pertaining to the optical depth of optical depth of column dust, which would assist in determining the necessity of evaluating the existing map reconstruction approaches. the methodological section has several steps which combined qualitative and quantities optical depth and virtual imagery to …

Resampling And Super-Resolution Of Hexagonally Sampled Images Using Deep Learning, Dylan Flaute, Russell C. Hardie, Hamed Elwarfalli

Electrical and Computer Engineering Faculty Publications

Super-resolution (SR) aims to increase the resolution of imagery. Applications include security, medical imaging, and object recognition. We propose a deep learning-based SR system that takes a hexagonally sampled low-resolution image as an input and generates a rectangularly sampled SR image as an output. For training and testing, we use a realistic observation model that includes optical degradation from diffraction and sensor degradation from detector integration. Our SR approach first uses non-uniform interpolation to partially upsample the observed hexagonal imagery and convert it to a rectangular grid. We then leverage a state-of-the-art convolutional neural network (CNN) architecture designed for SR …

Semi-Empirical Modeling Of Liquid Carbon's Containerless Solidification, Philip Chrostoski

Dissertations

Elemental carbon has important structural diversity, ranging from nanotubes through graphite to diamond. Previous studies of micron-size core/rim carbon spheres extracted from primitive meteorites suggest they formed around such stars via the solidification of condensed carbon-vapor droplets, followed by gas-to-solid carbon coating to form the graphite rims. Similar core/rim particles result from the slow cooling of carbon vapor in the lab. The long-range carbon bond-order potential was used to computationally study liquid-like carbon in (1.8 g/𝐜𝐦𝟑) periodic boundary (tiled-cube supercell) and containerless (isolated cluster) settings. Relaxations via conjugate-gradient and simulatedannealing nucleation and growth simulations using molecular dynamics were done to …

Automated Detection Of Bilingual Obfuscated Abusive Words On Social Media Forums: A Case Of Swahili And English Texts, Geofrey Njovangwa, Godfrey Justo

Tanzania Journal of Science

The usage of social media has exponentially grown in recent years leaving the users with no limitations on misusing the platforms through abusive contents as deemed fit to them. This exacerbates abusive words exposure to innocent users, especially in social media forums, including children. In an attempt to alleviate the problem of abusive words proliferation on social media, researchers have proposed different methods to help deal with variants of the abusive words; however, obfuscated abusive words detection still poses challenges. A method that utilizes a combination of rule based approach and character percentage matching techniques is proposed to improve the …