Physical Sciences and Mathematics Commons^™

Effects Of Impurities On Calcium Oxalate Crystallization As Measured By Atomic Force Microscopy, Himasha Wijesekara

Electronic Thesis and Dissertation Repository

Calcium oxalate crystals are found in kidney stones as either calcium oxalate monohydrate (COM) or calcium oxalate dihydrate (COD). COM crystals are the most abundant form as they are thermodynamically more stable than COD crystals under physiological conditions. Certain aspartic acid-rich molecules such as osteopontin (OPN) are known to affect stone formation by inhibiting COM and COD growth. We have studied COM {010} and COD {100} faces in the presence of OPN, poly-aspartic acid (poly-ASP) and synthetic peptides derived from OPN to investigate the inhibitor mechanism.

We observed that poly-ASP preferentially inhibits one particular direction of {010} faces on COM …

Cyclotron Resonance In Graphene Heterostructurescyclotron Resonance In Graphene Heterostructures, Billy Jordan Russell

Arts & Sciences Electronic Theses and Dissertations

We present observations of cyclotron resonance in graphene Van der Waals heterostructure devices. Such devices provide dramatic improvements in sample quality and allow for ad- vanced electronic control, opening windows on previously inaccessible physics. The design and construction of a dedicated system for the measurement of electronic transport and infrared magnetospectroscopy in microscopic samples of atomically thin materials at cryogenic temperatures is presented. In high-mobility encapsulated monolayer graphene, electron- electron interaction effects are unambiguously observed to impact the interband cyclotron resonance as the Landau level filling factor is varied in a quantizing magnetic field. Additionally, a splitting of transitions involving …

Studies Of Initial Growth Of Gan On Inn, Alaa Alnami

Graduate Theses and Dissertations

III-nitride materials have recently attracted much attention for applications in both the microelectronics and optoelectronics. For optoelectronic devices, III-nitride materials with tunable energy band gaps can be used as the active region of devices to enhance the absorption or emission. A such material is indium nitride (InN), which along with gallium nitride (GaN) and aluminum nitride (AlN) embody the very real promise of forming the basis of a broad spectrum, a high efficiency solar cell. One of the remaining complications in incorporating InN into a solar cell design is the effects of the high temperature growth of the GaN crystal …

Study Of Amorphous Boron Carbide And Hydrogenated Boron Carbide Materials Using Molecular Dynamics And Hybrid Reverse Monte Carlo, Rajan Khadka

MSU Graduate Theses

We present a computational study of amorphous boron carbide (a-B_xC) models using Molecular Dynamics (MD) studied with Stillinger-Weber (SW) and ReaxFF potential. The atomic structure factor (S(Q)), radial distribution function (RDF) and bond lengths comparison with other experimental and ab initio models shows that a random arrangement of icosahedra (B₁₂, B₁₁C) interconnected by chains (CCC, CBC) are present in a-B_xC. Afterward, Hybrid Reverse Monte Carlo (HRMC) technique is used to recreate a-B_xC structures. The existing SW potential parameters of Boron are optimized for the α-rhombohedral (Icosahedral B_{12 …}

Theoretical Investigations Of The Electronic, Magnetic, And Thermoelectric Properties Of Transition-Metal Based Compounds, Haleoot Edaan Raad

Graduate Theses and Dissertations

The electronic, magnetic, and thermoelectric properties of transition-metal based compounds were investigated by using the density functional theory and Boltzmann transport formalism. It was found that the Co-based Heusler compounds and InSe monochalcogenide are among the materials that may be used for future thermoelectric devices. Furthermore, the investigation showed that the quaternary Heusler compounds, such as, CoFeYGe, where Y is Ti or Cr, are half-metallic ferromagnetic materials with full electron spin polarization. The lattice thermal conductivity (κL) was found to decrease for these alloys as the temperature increases. The present investigation indicated that the phonon optical modes have a major …

First-Principles Simulations Of Materials Under Extreme Conditions, Kien Nguyen Cong

USF Tampa Graduate Theses and Dissertations

The investigation of materials at extreme conditions of high pressure and temperature (high-PT), has been one of the greatest scientific endeavors in condensed mater physics, chemistry, astronomy, planetary, and material sciences. Being subjected to high-PT conditions, materials exhibit dramatic changes in both atomic and electronic structure resulting in an emergence of exceptionally interesting phenomena including structural and electronic phase transitions, chemical reactions, and formation of novel compounds with never-previously observed physical and chemical properties. Although new exciting experimental developments in static and dynamic compression combined with new diagnostics/characterization methods allow to uncover new processes and phenomena at high P-T conditions, …

Extreme Dynamics Of Nanomaterials Under High-Rate Mechanical Stimuli, Wanting Xie

Doctoral Dissertations

Nanomaterials demonstrate novel mechanical properties attributed to the extremely large interfacial area. At quasi-static rates, the interfacial interactions are crucial in mechanical behaviors, however, materials under extreme mechanical stimuli are rarely studied at nanoscale. With an advanced laser-induced projectile impact test, we perform supersonic impact of micro-projectiles on polymer films, multilayer graphene, carbon- based nanocomposites membranes as well as individual micro-fibers, to study the interface interactions in the high-rate regime, and develop a simplified model to characterize the ballistic performance of materials.

Modeling And Simulation Of Driven Nanopatterning Of Bulk-Material And Thin-Film Surfaces, Ashish Kumar

Doctoral Dissertations

Material nanostructures such as nanowires, quantum dots, and nanorings have a wide variety of applications in electronic and photonic devices among numerous others. Assembling uniformly arranged and consistently sized nanostructure patterns on solid material surfaces is a major challenge for nanotechnology. This dissertation focuses on developing predictive models capable of simulation and analysis of such nanopattern formation on bulk material and strained thin film surfaces. Single-layer atomic clusters (islands) of sizes larger than a critical size on crystalline conducting substrates undergo morphological instabilities when driven by an externally applied electric field or thermal gradient. We have conducted a systematic and …

Polymeric Impulsive Actuation Mechanisms: Development, Characterization, And Modeling, Yongjin Kim

Doctoral Dissertations

Recent advances in the field of biomedical and life-sciences are increasingly demanding more life-like actuation with higher degrees of freedom in motion at small scales. Many researchers have developed various solutions to satisfy these emerging requirements. In many cases, new solutions are made possible with the development of novel polymeric actuators. Advances in polymeric actuation not only addressed problems concerning low degree of freedom in motion, large system size, and bio-incompatibility associated with conventional actuators, but also led to the discovery of novel applications, which were previously unattainable with conventional engineered systems. This dissertation focuses on developing novel actuation mechanisms …

Designing Ion-Containing Polymers With Controlled Structure And Dynamics, Joshua Enokida

Doctoral Dissertations

Ion-containing polymers are a unique class of materials for which strong electrostatic interactions dictate physical properties. By altering molecular parameters, such as the backbone chemical structure, the ion content, and the ion-pair identity, the structure and dynamics of these polymers can be altered. Further investigation of the molecular parameters that govern their structure-property relationships is critical for the future development of these polymeric materials. Particularly, the incorporation of ammonium-based counterions into these polymers offers a facile method to tune their electrostatic interactions and hydrophobicity. Applying this concept, a bulky dimethyloctylammonium (DMOA) counterion was used to modify the organic solubility of …

Interplay Of Magnetism, Superconductivity, And Topological Phases Of Matter, Cody Youmans

Dissertations, Theses, and Capstone Projects

Multiband superconducting materials, such as iron pnictides and doped topological insulators, have shown to be particularly promising platforms for realizing unconventional electronic behavior of both fundamental and practical importance. Similarly, new innovations in the engineering of gapped topological phases, like semiconductor based Kitaev chains and topological insulator based heterostructures, have opened new directions for solid-state design. Central to much of the excitement generated by such multifaceted electronic systems is a rich interplay between various inherent structural ordering tendencies and topologically non-trivial properties.

In some classes of pnictides, spin density wave order coexists with superconductivity over a range of doping and …

Optical And Collective Properties Of Excitons In 2d Semiconductors, Matthew N. Brunetti

Dissertations, Theses, and Capstone Projects

We study the properties of excitons in 2D semiconductors (2DSC) by numerically solving the Schr\"{o}dinger equation for an interacting electron and hole in the effective mass approximation, then calculating optical properties such as the transition energies, oscillator strengths, and absorption coefficients. Our theoretical approach allows us to consider both direct excitons in monolayer (ML) 2DSC and spatially indirect excitons in heterostructures (HS) consisting of two 2DSC MLs separated by few-layer insulating hexagonal boron nitride (h-BN). In particular, we study indirect excitons in TMDC HS, namely MoS₂, MoSe₂, WS₂, and WSe₂; …

Exciton Polaritons In Two-Dimensional Transition Metal Dichalcogenides, Jie Gu

Dissertations, Theses, and Capstone Projects

Strong interaction between photons and excitons in semiconductors results in the formation of half-light half-matter quasiparticles termed exciton-polaritons. Owing to their hybrid character, they inherit the strong interparticle interaction from their excitonic (matter) component via Coulomb interaction while the photonic component lends the small mass (~10⁵ times lighter than free electrons) and long propagation distances. Additionally, exciton-polaritons also carry properties of the host material excitons such as spin and valley polarization and can be probed via the photons that leak out of the cavities since the photon carries all the information owing to conservation laws. Since the first demonstration …

Coulomb Excitation And Transport Properties Of Monolayer Graphene And The Alpha-T3 Lattice, Dipendra Dahal

Dissertations, Theses, and Capstone Projects

In the past few years, I focused my attention in the study of 2D material's behavior, specifically graphene . We investigated several properties of graphene like transmission of particle through a potential barrier and demonstrated the effect of band gap to suppress the Klein tunneling at head on collision, we presented the results to get the criteria of negative refractive index and Klein tunneling through multiple barrier. Next, we have carried out the calculation of polarization function of graphene in the presence of magnetic field. The effect of integer Landau filling factor is shown and the portrayed results are presented …

Strongly Correlated Systems Under High Magnetic Field: A Mixed Landau Levels Description For Fractional Quantum Hall Effect, Sumanta Bandyopadhyay

Arts & Sciences Electronic Theses and Dissertations

Strong correlation among electrons under high magnetic field gives rise to an entirely new arena of emergent physics, namely fractional quantum Hall effect. Such systems have entirely different elementary degrees of freedom and generally, demand non-perturbative approaches to develop a better understanding. In the literature, there are several analytical methodologies and numerical toolkits available to study such a system. Clustering of zeros, parent Hamiltonian, off-diagonal order parameter, parton construction, matrix product states are to be named among a few of those popular methodologies in the existing literature. Most of these methods work well in the lowest Landau level or holomorphic …

Strongly Correlated Systems Under High Magnetic Field: A Mixed Landau Levels Description For Fractional Quantum Hall Effect, Sumanta Bandyopadhyay

Arts & Sciences Electronic Theses and Dissertations

Strong correlation among electrons under high magnetic field gives rise to an entirely new arena of emergent physics, namely fractional quantum Hall effect. Such systems have entirely different elementary degrees of freedom and generally, demand non-perturbative approaches to develop a better understanding. In the literature, there are several analytical methodologies and numerical toolkits available to study such a system. Clustering of zeros, parent Hamiltonian, off-diagonal order parameter, parton construction, matrix product states are to be named among a few of those popular methodologies in the existing literature. Most of these methods work well in the lowest Landau level or holomorphic …

Enhanced Magnetic Ordering In Sm Metal And Search For Superconductivity In Cs And Rb Under Extreme Pressure, Yuhang Deng

Arts & Sciences Electronic Theses and Dissertations

At ambient pressure Sm metal orders antiferromagnetically at 106 K and 14 K. The pressure-dependence of the magnetic ordering temperature To of Sm metal was determined through four-point electrical resistivity measurements in a diamond anvil cell to pressures as high as 150 GPa. A strong increase in To with pressure is observed above 85 GPa. In this pressure range Sm ions alloyed in dilute concentration with superconducting Y exhibit giant Kondo pair breaking. Taken together, these results suggest that for pressures above 85 GPa Sm is in a highly correlated electron state, like a Kondo lattice, with an unusually high …

Porous Membranes From 2d Materials And Their Integration Into Chemiresistive Sensors For In-Line Detection Of Cadmium In Water Filtration Devices, Sheldon Van Middelkoop

Electronic Thesis and Dissertation Repository

As the global population increases, the need for drinking water is an ever-present concern. Water contamination from cadmium needs to be avoided due to the damaging effects of Cd dications to the human health. The Environmental Protection Agency (EPA) has set an extremely low permissible limit for Cd²⁺ in water, at 5 parts-per-billion (PPB), which poses extreme challenges towards Cd²⁺ detection and retention in specific water purification devices. This has led to a rush in the development of low-cost and scalable devices with in-line Cd²⁺sensing capabilities, with the ability to simultaneously purify water and monitor its …

Extended-Range Oscillations And The First Sharp Diffraction Peak In Amorphous Silicon: A Systematic Study, Devilal Dahal

Master's Theses

The first sharp diffraction peak (FSDP), which characterizes the static structure factor of many glassy systems near the wave vector region of 1-2 Å^-1 has been observed depending on the temperature, pressure and the degree of annealing of the system. The presence of the FSDP is indicative of the intermediate range order (IRO). In current work, we study the role of the extended- range oscillations on the parameters of the FSDP, i.e., intensity, position, area, and the full width at half maximum (FWHM) by using high-quality simulated models of amorphous silicon. The radial distance up to half of the …

Morphological Study Of Voids In Ultra-Large Models Of Amorphous Silicon, Durga Prasad Paudel

Dissertations

The microstructure of voids in pure and hydrogen-rich amorphous silicon (a:Si) network was studied in ultra-large models of amorphous silicon, using classical and quantum- mechanical simulations, on the nanometer length scale. The nanostructure, particularly voids of device grade ultra-large models of a:Si was studied, in which observed three-dimensional realistic voids were extended using geometrical approach within the experimental limit of void-volume fractions. In device-grade simulated models, the effect of void morphology; size, shape, number density, and distribution on simulated scattering intensities in small- angle region were investigated. The evolution of voids on annealing below the crystallization temperature …

Applied Symmetry For Crystal Structure Prediction, Scott William Fredericks

UNLV Theses, Dissertations, Professional Papers, and Capstones

This thesis presents an original open-source Python package called PyXtal (pronounced "pi-crystal") that generates random symmetric crystal structures for use in crystal structure prediction (CSP). The primary advantage of PyXtal over existing structure generation tools is its unique symmetrization method. For molecular structures, PyXtal uses an original algorithm to determine the compatibility of molecular point group symmetry with Wyckoff site symmetry. This allows the molecules in generated structures to occupy special Wyckoff positions without breaking the structure's symmetry. This is a new feature which increases the space of search-able structures and in turn improves CSP performance.

It is shown that …

Magnetization Dynamics In Coupled Thin Film Systems, Daniel J. Adams

University of New Orleans Theses and Dissertations

A study is presented detailing experimental investigations of magnetization dynamics in nanostructured systems which are coupled magnetically. This work seeks to characterize the anisotropy of such systems through experimental techniques which probe microwave resonant absorption in the materials.

A custom-built experimental setup, designed and assembled in our labs, is explained in detail. This setup allows for angular-dependent ferromagnetic resonance (FMR) measurements in the sample plane through vector network analyzer spectroscopy and is adaptable to two different types of coplanar waveguides. This technique has proven effective for characterization of multiple types of magnetic systems, including multilayered structures as detailed here, with …

Nonlinear Optical Studies Of Bulk And Thin Film Complex Materials, Joel E. Taylor

LSU Doctoral Dissertations

Nonlinear optical studies of bulk and thin film materials provide a vast playground for physical and dynamical characterization. In this thesis, we have implemented experimental methods to probe novel phase transitions in single crystals using rotational anisotropic second harmonic generation (RASHG) and carrier dynamics in thin films with time-resolved pump-probe reflectivity. Furthermore, a novel low temperature ultra-high vacuum system coupled to nonlinear optics has been developed to extend lab capabilities. Doping (Bi_1-xSb_x)₂Se₃ with antimony, the surface electronic reconstruction near x=80% was identified with RASHG by deviations in the six-fold and three-fold polarization anisotropic …

Nuclear Magnetic Resonance Characterization Of Dynamics In Novel Electrochemical Materials, Christopher T. Mallia

Theses and Dissertations

As our daily use of electronics and electronic technology grows, so does the societal need for sustainable, renewable and portable electrical power. To this end, materials of interest in the electrochemical world are needed to advance the frontier of battery science and energy storage technologies so that a safer, more efficient and reliable electrical future can be realized. This work focuses on characterization of materials primarily of interest for use as electrolytes in rechargeable Lithium-Ion Batteries (LIBs). Despite their extraordinary power, LIB application in certain fields, such as in electric vehicles, has been limited due to performance and safety concerns. …

Toward Devices For Exploring Pt-Symmetry In Electronic Transport Of Graphene, Michael Carovillano

Senior Honors Papers / Undergraduate Theses

Parity-time symmetry, or PT -symmetry is the principle that in quantum mechanics a non- Hermitian Hamiltonian is capable of returning real eigenstates and real spectra.Recent research has demonstrated real world observation of PT -symmetry in electronics and optics. We aim to expand the regime of observed PT -symmetry through measurement of the electronic transport of graphene devices. Drawing from analogous experiments, we plan to use balanced ohmic resistance acting as both loss and relative gain to induce the required unbroken PT -symmetry regime. This paper analyzes techniques used in fabrication of such devices as well as the basis of the …

Electronic Transport Behavior Of Adatom- And Nanoparticle-Decorated Graphene, Jamie Anne Elias

Arts & Sciences Electronic Theses and Dissertations

To induce a non-negligible spin-orbit coupling in monolayer graphene, for the purposes of realizing the Kane-Mele Hamiltonian, transition metal adatoms have been deposited in dilute amounts by thermal evaporation in situ while holding the device temperature near 4K. Electronic transport studies including measurements such as gate voltage dependent conductivity and mobility, weak localization, high field magnetoresistance (Shubnikov de Haas oscillations), quantum Hall, and nonlocal voltage were performed at low temperature before and after sequential evaporations. Studies of tungsten adatoms are consistent with literature regarding other metal adatoms on graphene but were unsuccessful in producing a spin-orbit signature, at least partially …

Extraordinary Magnetoresistance In Encapsulated Graphene Devices, Bowen Zhou

Arts & Sciences Electronic Theses and Dissertations

We report a study on the phenomenon of extraordinary magnetoresistance (EMR) in boron nitride encapsulated monolayer graphene devices. Extremely large EMR values–calculated as the change in magnetoresistance, (R(B)–R0)/R0–can be found in these devices due to the vanishingly small resistance values at zero field. In many devices the zero-field resistance can become negative, which enables R0 to be chosen arbitrarily close to zero depending only on measurement precision, resulting in very large EMR. We critically discuss the dependence of EMR on measurement precision and device asymmetry. On the other hand, we also find the largest reported values of the sensitivity to …

Exploring The Electrical Properties Of Twisted Bilayer Graphene, William Shannon

Senior Theses

Two-dimensional materials exhibit properties unlike anything else seen in conventional substances. Electrons in these materials are confined to move only in the plane. In order to explore the effects of these materials, we have built apparatus and refined procedures with which to create two-dimensional structures. Two-dimensional devices have been made using exfoliated graphene and placed on gold contacts. Their topography has been observed using Atomic Force Microscopy (AFM) confirming samples with monolayer, bilayer, and twisted bilayer structure. Relative work functions of each have been measured using Kelvin Probe Force Microscopy (KPFM) showing that twisted bilayer graphene has a surface potential …

Super Rapid Crystal Growth And Quench Of Monoclinic Bi-Ii* During Dynamic Compression, Zachary Allen Fussell

UNLV Theses, Dissertations, Professional Papers, and Capstones

We show that monoclinic Bi-II* forms during a dynamic compression regime with crystal growth rates from melt of ≈ 70 m/s. This extreme quench rate implies crystallization by non-diffusive processes and indicates that the liquid had a high degree of pre-ordering. Using ambient condition single crystal structure analysis we show for the first time that the monoclinic distorted phase of Bi (Bi-II) exists at ambient pressure, albeit bound to formation under dynamic compression. We review the pressure, temperature, and time conditions for formation and growth of this structure.

High-Pressure High-Temperature Exploration Of Phase Boundaries Using Raman Spectroscopy, Jasmine Kashmir Hinton

UNLV Theses, Dissertations, Professional Papers, and Capstones

Metastability of states can provide interesting properties that may not be readily accessible in a material’s ground state. Many materials show high levels of polymorphism, indicating a rich energy landscape and a potential for metastable states. Melt crystallization techniques provide a potential route to these states. We use a resistively heated diamond anvil cell (DAC) with fine control of a system’s pressure and temperature to explore these systems. Raman spectroscopy is used to track subtle structural changes across phase boundaries. Organic systems, such as glycine and aspirin, were our initial interest due to their high polymorphism and reported low melting …