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Discovering And Understanding High Performance Materials Using Density Functional Theory: Quantum Mechanical Simulations And The Consequences Of Symmetry, Olivia M. Pavlic 2023 West Virginia State University

Discovering And Understanding High Performance Materials Using Density Functional Theory: Quantum Mechanical Simulations And The Consequences Of Symmetry, Olivia M. Pavlic

Graduate Theses, Dissertations, and Problem Reports (ETD)

There are two primary ways that atomic level modeling data is used: materials prediction and understanding materials properties. This dissertation work encom- passes two studies, each of which explore one application. Both studies rely on the highly successful density functional theory (DFT) formalism but differ in that two different implementations of DFT are used on two different high performance materials. The first study on bulk magnesium (Mg) metal alloys explores materials prediction and relies on VASP, a commercially maintained plane-wave DFT code which has been used extensively to successfully study a wide range of materials. [1] The approach used in …


Emission Spectroscopy Of Ingaas Quantum Dots Via High-Resolution Fabry-Perot Interferometer, Raju Bhai KC 2023 West Virginia University

Emission Spectroscopy Of Ingaas Quantum Dots Via High-Resolution Fabry-Perot Interferometer, Raju Bhai Kc

Graduate Theses, Dissertations, and Problem Reports (ETD)

Single photons emitted from self-assembled quantum dots have been widely studied to use as a promising qubit for quantum information processing. Therefore, it is critical to fully understand the emission spectra from the quantum dot's excitation if we want to use a single photon as a quantum bit. It is almost impossible to produce rotationally symmetric quantum dots due to various growth conditions and restrictions. So the real quantum dots do not have a perfectly symmetric structure. A broken rotational symmetry causes an asymmetric exchange interaction between electron and hole, leading to a fine structure splitting between two excited states. …


Fabrication And Optical Properties Of Two-Dimensional Transition Metal Dichalcogenides, Manpreet Boora 2023 Michigan Technological University

Fabrication And Optical Properties Of Two-Dimensional Transition Metal Dichalcogenides, Manpreet Boora

Dissertations, Master's Theses and Master's Reports

Two-dimensional layered materials such as graphene and transition metal dichalcogenides have gained a lot of attention because of their distinctive chemical, optical, and electronic properties. Transition metal dichalcogenides can have a tunable bandgap in the range of 1 − 3 eV (visible), which enables their applications in ultrathin field effect transistors, photovoltaics, sensors, and optoelectronic devices. They exhibit an indirect-to-direct band gap transition when thinned down from bulk to a single layer. They show strong photoluminescence, electron–photon interaction, valley pseudospin, nonlinear optical response, and lack of dangling bonds. Many exotic phenomena appear when materials are thinned to nanoscale size because …


Structural And Magneto Conductivity Studies Of Nio/Smba2cu3o7-Δ Superconducting Composite, Hadi Basma, Sajida Rmeid, Ramadan Awad, Mohammed Said 2022 Department of Physics, Faculty of Science, Beirut Arab University

Structural And Magneto Conductivity Studies Of Nio/Smba2cu3o7-Δ Superconducting Composite, Hadi Basma, Sajida Rmeid, Ramadan Awad, Mohammed Said

BAU Journal - Science and Technology

In this work, we investigate the effect of NiO nanoparticles' addition on the structure, superconductivity, and magneto conductivity for the SmBa2Cu3O7-δ phase. Composite nano/superconductor of (NiO)x/SmBa2Cu3O7-δ (0.00≤x≤0.12 wt.%) were prepared by conventional solid-state reaction technique and characterized by X-ray powder diffraction (XRD) and scanning electron microscopy (SEM). The orthorhombic structure was maintained whereas the lattice parameters showed unsystematic variations with the NiO nanoparticles addition. The superconducting transition temperature Tc, determined from electrical resistivity measurements, showed an enhancement with x up to 0.04wt.% followed by a reduction …


Perspectives On Determinism In Quantum Mechanics: Born, Bohm, And The “Quantal Newtonian” Laws, Viraht Sahni 2022 CUNY Brooklyn College

Perspectives On Determinism In Quantum Mechanics: Born, Bohm, And The “Quantal Newtonian” Laws, Viraht Sahni

Publications and Research

Quantum mechanics has a deterministic Schrödinger equation for the wave function. The Göttingen–Copenhagen statistical interpretation is based on the Born Rule that interprets the wave function as a “probability amplitude.” A precept of this interpretation is the lack of determinism in quantum mechanics. The Bohm interpretation is that the wave function is a source of a field experienced by the electrons, thereby attributing determinism to quantum theory. In this paper, we present a new perspective on such determinism. The ideas are based on the equations of motion or “Quantal Newtonian” Laws obeyed by each electron. These Laws, derived from …


Highly Efficient Photocatalysts For Methylene Blue Degradation Based On A Platform Of Deposited Go-Zno Nanoparticles On Polyurethane Foam, Mohamed Morsy 2022 The British University in Egypt

Highly Efficient Photocatalysts For Methylene Blue Degradation Based On A Platform Of Deposited Go-Zno Nanoparticles On Polyurethane Foam, Mohamed Morsy

Nanotechnology Research Centre

No abstract provided.


Spacecraft Charging Test Considerations For Composite Materials, Allen Andersen, Wousik Kim, J. R. Dennison, Brian Wood, Todd A. Schneider, Jason Vaughn, Kenneth H. Wright Jr., Nelson W. Green, Eric Suh, Joel Schwartz, Abdul-Majeed Azad 2022 California Institute of Technology

Spacecraft Charging Test Considerations For Composite Materials, Allen Andersen, Wousik Kim, J. R. Dennison, Brian Wood, Todd A. Schneider, Jason Vaughn, Kenneth H. Wright Jr., Nelson W. Green, Eric Suh, Joel Schwartz, Abdul-Majeed Azad

Journal Articles

Composite materials present a growing challenge for spacecraft charging assessments. We review some recent lessons learned for charging tests of composite materials using both parallel-plate and electron beam test geometries. We also discuss examples of materials that exhibit significant variations between samples, despite them all having the same trade name.


Characterization Of Losses In Superconducting Radio-Frequency Cavities By Combined Temperature And Magnetic Field Mapping, Ishwari Prasad Parajuli 2022 Old Dominion University

Characterization Of Losses In Superconducting Radio-Frequency Cavities By Combined Temperature And Magnetic Field Mapping, Ishwari Prasad Parajuli

Physics Theses & Dissertations

Superconducting radio-frequency (SRF) cavities are one of the fundamental building blocks of modern particle accelerators. To achieve the highest quality factors (1010-1011), SRF cavities are operated at liquid helium temperatures. Magnetic flux trapped on the surface of SRF cavities during cool-down below the critical temperature is one of the leading sources of residual RF losses. Instruments capable of detecting the distribution of trapped flux on the cavity surface are in high demand in order to better understand its relation to the cavity material, surface treatments and environmental conditions. We have designed, developed, and commissioned two novel …


Towards The Electronic Response Of Carbon-Based Van Der Waals Heterostructures In A Diamond Anvil Cell, George Thomas Foskaris 2022 University of Nevada, Las Vegas

Towards The Electronic Response Of Carbon-Based Van Der Waals Heterostructures In A Diamond Anvil Cell, George Thomas Foskaris

UNLV Theses, Dissertations, Professional Papers, and Capstones

The nanoscale regime of materials has been at the forefront of research and interest in condensed matter physics for many years. In a merger of the fields of two-dimensional (2D) materials and high pressure physics, we present an investigation of the electronic response of carbon-based, van der Waals (vdW) heterostructures in a diamond anvil cell (DAC). Combining these fields presents us with the ability to study the characteristics of such systems both optically, and through electrical transport. Properties such as conductance, band structure, and layer number are considered. The samples in this study are assembled using exfoliation and stacking techniques …


Raman Scattering Measurements And Analyses Of Gan Thin Films Grown On Zno Substrates By Metalorganic Chemical Vapor Deposition, Zane McDaniel, Zhe Chuan Feng, Kevin Stokes 2022 Kennesaw State University

Raman Scattering Measurements And Analyses Of Gan Thin Films Grown On Zno Substrates By Metalorganic Chemical Vapor Deposition, Zane Mcdaniel, Zhe Chuan Feng, Kevin Stokes

Symposium of Student Scholars

Metalorganic chemical vapor deposition (MOCVD) is a popularly used method of growing thin films of GaN on ZnO (GZ) substrates, which pair well due to their structural and characteristic similarities. In this research, optical characterization of the surface quality of GZ sample films is measured by analyzing Raman scattering (RS) using a Renishaw inVia spectrometer fitted with a 532nm laser. Samples were grown in an improved double injection block rotating disc reactor. Multiple samples' spectra show broad peaks that correspond with the E2 (high) and A1 (LO) branches of GaN, and nicely fitted curves are observed for the characteristic E2 …


Exploring Cathodoluminescence Evident Features Of Tungsten Disulfide, Molybdenum Disulfide, And Tungsten-Sulfide-Selenide, Nathan Mayer 2022 Bellarmine University

Exploring Cathodoluminescence Evident Features Of Tungsten Disulfide, Molybdenum Disulfide, And Tungsten-Sulfide-Selenide, Nathan Mayer

Undergraduate Theses

Cathodoluminescence (CL) microscopy can be used to characterize the quantum optical behaviors of two-dimensional nanostructures. To investigate this behavior, we mounted flakes of tungsten disulfide (WS2), molybdenum disulfide (MoS2), and tungsten-sulfide-selenide Janus structures (WSSe) on a SiO2 substrate and analyzed these samples under both high vacuum and low H2O vacuum conditions using a scanning electron microscope. We then captured CL and secondary-electron images of the samples at multiple electron-beam energies and currents (5 keV to 30 keV, and 0.5 nA to 5 nA, respectively). We used a range of beam currents and …


Oil/Water Separation And Functionality Of Smart Carbon Nanotube–Titania Nanotube Composite, Mohamed Morsy 2022 The British University in Egypt

Oil/Water Separation And Functionality Of Smart Carbon Nanotube–Titania Nanotube Composite, Mohamed Morsy

Nanotechnology Research Centre

No abstract provided.


Effects Of Volatile Compounds On Breakdown Field Strength Measurements Of Polymers, Megan Loveland DeWaal, JR Dennison 2022 Utah State University

Effects Of Volatile Compounds On Breakdown Field Strength Measurements Of Polymers, Megan Loveland Dewaal, Jr Dennison

Journal Articles

This study investigates the effects of absorbed water and volatile compounds on measurements of the electrostatic breakdown field strength. Comparisons are made between sets of pristine samples, ones that underwent a thorough vacuum bake out, and ones subsequently exposed to humid conditions to determine how quickly the samples reverted to an unbaked state. Specifically, we compared signatures related to an electrostatic breakdown (electrostatic breakdown field strength, frequency of pre-breakdown arcing, and flashover) and images of the arc damage sites. The work reports results for three prototypical polymeric dielectric materials: low density polyethylene (LDPE), polyether-etherketone (PEEK), and Nylon 66, listed in …


An Interactive Simulation And Visualization Tool For Conventional And Aberration-Corrected Transmission Electron Microscopy, Xingzhong Li 2022 University of Nebraska - Lincoln

An Interactive Simulation And Visualization Tool For Conventional And Aberration-Corrected Transmission Electron Microscopy, Xingzhong Li

Nebraska Center for Materials and Nanoscience: Faculty Publications

Contrast transfer function (CTF) is a vital function in transmission electron microscopy (TEM). It expresses to what extent amplitudes converted from the phase changes of the diffracted waves contribute to the TEM image, including the effects of lens aberrations. Simulation is very helpful to understand the application of the function thoroughly. In this work, we develop the CTFscope as a component in the Landyne software suite, to calculate the CTF with temporal and spatial dumping envelopes for conventional TEM and to extend it to various aberrations (up to fifth order) for aberration-corrected (AC)- TEM. It also includes effects on the …


Preparation, Investigation, And Temperature Sensing Application Of Rgo/Sno2/Co3o4 Composite, Mohamed Morsy 2022 The British University in Egypt

Preparation, Investigation, And Temperature Sensing Application Of Rgo/Sno2/Co3o4 Composite, Mohamed Morsy

Nanotechnology Research Centre

No abstract provided.


Controlling Electro-Magnetic Functionality Of Ruthenates By Heterostructure Design, Zeeshan Ali 2022 Louisiana State University and Agricultural and Mechanical College

Controlling Electro-Magnetic Functionality Of Ruthenates By Heterostructure Design, Zeeshan Ali

LSU Doctoral Dissertations

Perovskite oxides (ABO3) show wide range of functionalities originating from interplay of structural, spin, charge, and orbital degrees of freedoms. The bulk perovskite structure could be controlled via conventional chemical substitution, though exploiting heterostructure engineering novel ground states could be observed which otherwise are absent in bulk. In this thesis, the interest is to explore the electro-magnetic phenomena as complex oxides are confined in heterostructures.

I first investigate electromagnetic properties of ultrathin epitaxial ruthenate: SrRuO3 (SRO); spatially confined between SrTiO3 (STO) i.e., STO5-SROn-STO5 with n = 1- and 2-unit cells. It …


A Tem Study Of Fe3+X Co3-XTi2 (X = 0, 1, 2, 3) Intermetallic Alloys, Xingzhong Li, Anandakumar Sarella, B. Balasubramanian, Shah R. Valloppilly 2022 University of Nebraska-Lincoln

A Tem Study Of Fe3+X Co3-XTi2 (X = 0, 1, 2, 3) Intermetallic Alloys, Xingzhong Li, Anandakumar Sarella, B. Balasubramanian, Shah R. Valloppilly

David Sellmyer Publications

A TEM study has been carried out on crystal structures in the rare-earth-free intermetallic alloys, Fe3+xCo3-xTi2 (x = 0, 1, 2, 3). These alloys have been demonstrated to have potentially high magnetic anisotropy. In these alloys, the main intermetallic compound was recently reported as a new hexagonal phase with a space group of P-6 m2. The present study reveals that the main compound belongs to Laves C14 variant surrounded by α-Fe type crystal as secondary phase in the Fe3+xCo3-xTi2 (x = 0, 1, 2, 3) alloys, in agreement with the …


Resonant Plasmonic–Biomolecular Chiral Interactions In The Far-Ultraviolet: Enantiomeric Discrimination Of Sub-10 Nm Amino Acid Films, Tiago Ramos Leite, Lin Zschiedrich, Orhan Kizilkaya, Kevin M. McPeak 2022 Louisiana State University and Agricultural and Mechanical College

Resonant Plasmonic–Biomolecular Chiral Interactions In The Far-Ultraviolet: Enantiomeric Discrimination Of Sub-10 Nm Amino Acid Films, Tiago Ramos Leite, Lin Zschiedrich, Orhan Kizilkaya, Kevin M. Mcpeak

Faculty Publications

Resonant plasmonic–molecular chiral interactions are a promising route to enhanced biosensing. However, biomolecular optical activity primarily exists in the far-ultraviolet regime, posing significant challenges for spectral overlap with current nano-optical platforms. We demonstrate experimentally and computationally the enhanced chiral sensing of a resonant plasmonic–biomolecular system operating in the far-UV. We develop a full-wave model of biomolecular films on Al gammadion arrays using experimentally derived chirality parameters. Our calculations show that detectable enhancements in the chiroptical signals from small amounts of biomolecules are possible only when tight spectral overlap exists between the plasmonic and biomolecular chiral responses. We support this conclusion …


Control Of Nonlinear Properties Of Van Der Waals Materials, Rezlind Bushati 2022 CUNY Graduate Center

Control Of Nonlinear Properties Of Van Der Waals Materials, Rezlind Bushati

Dissertations, Theses, and Capstone Projects

Van der Waals materials are a broad class of materials that exhibit unique optoelectronic properties. They provide a rich playground for which they can be integrated into current on-chip devices due to their nanometer-scale size, and be utilized for studying fundamental physics. Strong coupling of emitters to microcavities provides many opportunities for new exotic physics through the formation of hybrid quasi-particles exciton-polaritons. This thesis
focuses on exploring and enhancing nonlinearity of van der Waals materials through strongly coupling to microcavities. By taking advantage of the stacking order of TMDs, we show intense second-harmonic generation from bulk, centrosymmetric TMD systems. In …


Electron Transport In Quantum Systems With Interaction, Sara Abedi 2022 CUNY Graduate Center

Electron Transport In Quantum Systems With Interaction, Sara Abedi

Dissertations, Theses, and Capstone Projects

No abstract provided.


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