Physical Sciences and Mathematics Commons^™

Classification Of Nuclear Pastas Through Alpha Shapes Model, Daniela Ramirez Chavez

Open Access Theses & Dissertations

The nuclear pasta is important because is an astromaterial with incredible strength that may be a source for gravitational waves, which observe from the rotation of neutron stars. The characterization of the pasta is vital because the nuclear phases have transport properties - compressibility, neutrino opacity, thermal conductivity, and electrical conductivity - associated with their shape for which neutron stars may be sensitive. These properties could interpret observations of supernova neutrinos, magnetic field decay, and crust cooling of accreting neutron stars. Here, we study the nuclear pasta using alpha shapes to achieve a phase characterization with the Minkowski functionals (area, …

Application Of Flo-Sic To F-Electron Systems: Sixth Row Elements And Ligated Molecules, Alexander Irun Johnson

Open Access Theses & Dissertations

Density functional theory - the most widely used theoretical method to study atoms,molecules, and solids - suffers from the well-known self-interaction error. A solution to the problem was suggested by Perdew and Zunger [1], who showed the self-interaction error can be removed with self-interaction correction. In 2014, Pederson showed a unitary transformation can be performed on the Kohn-Sham orbitals to generate Fermi-Löwdin orbitals which improve atomization energies, and avoid the computational costs of solving the localization equations.[2] This method is known as the Fermi-Löwdin Orbital Self-Interaction Correction (FLO-SIC). Until now, the FLO-SIC methodology has been used for atoms not containing …

Modulation Of Non-Diffracting Hermite Gaussian Beams And Nonlinear Optical Microscopy For Nanoscale Sulfur Imaging, Gilberto Navarro

Open Access Theses & Dissertations

Hermite Gaussian beams are the solutions of the scalar paraxial wave equation in Cartesian coordinates. A method was developed to modulate the intensity profile of non-diffracting Hermite Gaussian (HG) beams. The original HG beamâ??s intensity profile consists of high intense corner lobes and low intense central lobes which is not ideal for structured illumination in light-field microscopy. The modulated HG beams were generated by multiplying the original HGâ??s beam envelope by a super-Gaussian envelope to modify the intensity profile to attain equal intensity lobes. The propagation of the original HG beam and modulated HG beam were compared to determine that …

Magnetic Structures Of Sawtooth Olivines Mn2six 4 (X = S, Se) Determined Through Neutron Powder Diffraction, Melaku Sisay Tafere

Open Access Theses & Dissertations

In olivine chalcogenide Mn2SiX 4 (X = S, Se) compounds, the Mn lattice produces a sawtooth, which is of critical significance in magnetism due to the potential for manifesting at bands in the magnon spectrum, a crucial component in magnonics. The compounds Mn2SiS4 and Mn2SiSe4 in Mn2SiX 4 family undergo antiferromagnetic phase transitions at T â?? 85 K and â?? 66 K, respectively, as determined from the specific heat, Cp(T). The average and local crystal structuresare determined using synchrotron X-ray, neutron diffraction, and X-ray total scattering data followed by Rietveld and pair distribution function (PDF) analysis. It is found from …

Spectroscopic Study Of Bi5ti3feo15 Aurivillius Compound For Multifunctional Applications, Mariana Castellanos

Open Access Theses & Dissertations

No abstract provided.

Generation Of Phase Transitions Boundaries Via Convolutional Neural Networks, Christopher Alexis Ibarra

Open Access Theses & Dissertations

Accurate mapping of phase transitions boundaries is crucial in accurately modeling the equation of state of materials. The phase transitions can be structural (solid-solid) driven by temperature or pressure or a phase change like melting which defines the solid-liquid melt line. There exist many computational methods for evaluating the phase diagram at a particular point in temperature (T) and pressure (P). Most of these methods involve evaluation of a single (P,T) point at a time. The present work partially automates the search for phase boundaries lines utilizing a machine learning method based on convolutional neural networks and an efficient search …

Two-Step Single Qubit Gates For Superconducting Qubits, Edward Takyi

Open Access Theses & Dissertations

Why quantum information processing? Contemporary manipulation and transmission of information is executed through physical machines (computers, routers, scanners, etc.) in which Classical Mechanics is used to describe the embodiment and transformation of information. However, the physical theory of the world is not Classical Mechanics. And so, there is no reason to suppose that machines following the laws of Classical Mechanics would have the same computational power like quantum machines. Quantum computers would break the rules of classical computers and they would be able solve problems that are intractable on conventional supercomputers.

In order to fabricate quantum computers and make significant …

Oil Particle Analysis Using Machine Learning And Holography Imaging, Daniel Cruz

Open Access Theses & Dissertations

Holographic cameras show potential as a sensor to monitor oil spills. Holographic cameras record the light interference from particles in a volume of space, producing an image called a hologram. Processing these holograms is known as hologram reconstruction. It produces a representation of particles located in three-dimensional space. These cameras can record precise shapes and sizes of particles in a volume of water. However, it is very time-consuming and resource-intensive to process the images. Most algorithms that perform particle analysis require the hologram reconstruction step. The well-documented hybrid method is one such algorithm. Machine learning is one possible technique that …

Pressure-Induced Phase Transition And Electronic Structure Changes In Equiatomic Fev, Homero Reyes Pulido

Open Access Theses & Dissertations

Classical molecular dynamics methods can accurately describe a broad set of many-atomssystems. Although more economical, the results given by this framework lack the precision capable of density functional theory (DFT). Therefore, the structural stability of the B2 phase of a body-centered-cubic iron-vanadium (FeV) alloy using DFT on the electronic structure level is analyzed to verify and further explain classical results obtained by our group in this same alloy. Using Quantum Espresso and Phonopy for the computational simulations, the plotted band structure, electronic density of states (eDOS), phonon dispersions, charge density, and Fermi surfaces for various compressed unit cells are presented. …

Optimization Of Quantum Circuits Using Spin Bus Multiqubit Gates For Quantum Dots, Miguel Gonzalo Rodriguez

Open Access Theses & Dissertations

The current conventional method for designing quantum circuits is to employ a number of single- and two-qubit gates, which often necessitate a lengthy sequence, imposing severe constraints on quantum coherence and quantum circuit complexity. Coupling multiple spin qubits to a common spin chain can result in a generically multiqubit gate. It is demonstrated that the multiqubit gate can substantially reduce the depth of quantum circuits and establish multiqubit entanglement considerably more quickly.

Phonon Dispersions Of Nonmagnetic Bcc Iron At High Pressures From Ab Initio Molecular Dynamics And Harmonic Ensemble Lattice Dynamics, Valeria Itzel Arteaga Muniz

Open Access Theses & Dissertations

Numerous computational and experimental studies on the crystal structure of metals nearthe melt line, indicate the body-centered cubic (bcc) structure can be favored over other crystal phases at lower temperatures [1]-[4] and even in cases in which other crystal structures are thermodynamically more stable, bcc may nucleate first from the melt, at rapid cooling rates [5]. Iron (Fe) is a polymorph metal, with a bcc ferromagnetic structure at ambient conditions. Even though the phase diagram of Fe is well known at relatively low pressures, there is currently no consensus on the crystal structure of Fe below the melt line at …

Low-Lying Spin-Flip Excitonic States Of ����12��12 (��������)16 [��2��]4 Molecule (Mn12 − ����), Karma Dema

Open Access Theses & Dissertations

Molecules and materials constructed from Mn atoms offer diverse assortments of geomet- rical and spin structures. The diversity of structures, in comparison with other transition metals, along with nature’s decision to use a Mn-based molecule to catalyze solar-driven water splitting and oxygen evolution, suggests that there is indeed something special about the location of Mn valence electrons, both energetically and geometrically, that endows Mn with its multifaceted behaviors that, in turn, provide such chemical, physical and mag- netic diversity. Based upon recent work on the Mn3 monomer and the Mn(taa) there is an expectation that Mn�� �� �� centers can …

Electrothermal Plenum Thruster Simulations Varying Input Pressure And Voltage, Naomi Nicole Ingram

Open Access Theses & Dissertations

A radiofrequency electrothermal thruster is designed and simulated to create a low ionization energy plasma from a neutral propellant using a radio-frequency power. With an asymmetrical surface area ratio between the grounded and powered electrode, ion-neutral charge exchange collisions occurring within the propellant result in propellant heating. The Electrothermal Plenum Thruster conducts this propellant heating in an annular plenum chamber in attempt to maximize propellant heating. A software called CFD-ACE+ is utilized to demonstrate the effects of an enhanced sheath from the asymmetrical power coupling arrangement. Two sets of simulations are run to understand how input variables affect the plasma …

Exploring Tunable Magnetization And High-Temperature Ferromagnetism In Ternary Transition Metal-Based Chalcogenides, Hector Iturriaga

Open Access Theses & Dissertations

The discovery of long-range magnetic ordering in ultrathin transition metal-based compounds shows great promise for the development of nanoscale memory and spintronic devices. Composed of cost-effective materials and boasting from strong chemical and thermal stability at low dimensions, van der Waals (vdW) ternary transition metal chalcogenide magnets like CrSiTe3 (CST), Fe2.7GeTe2 (FGT), and Mn3Si2Te6 (MST), provide not only possible energy solutions, but also a broad platform to explore the versatile magnetic character of this family of compounds. Although they have great potential, it has been found that their long-range magnetic ordering exists at temperatures far too low (the highest of …

Evolution Of The Magnetic Properties On Van Der Waals Layered Magnets Via Pressure And Proton Irradiation, Rubyann Olmos

Open Access Theses & Dissertations

Probing the magnetism in quasi two-dimensional materials has the potential in driving their properties towards future use in spin electronic based devices. Studying such layered magnets will enable the scientific community to uncover tunable exotic phases such as superconductivity, quantum paramagnetism, etc. This work examines the influence of two types of external perturbations, namely, the pressure and proton irradiation, on the magnetic properties of several compounds in the van der Waals crystal family.

Pressure has been found to induce structural and magnetic phase transitions in many of these materials. Using hydrostatic pressure as a disorderless approach to manipulate the interlayer …

Why Ideas First Appear In Informal Form? Why It Is Very Difficult To Know Yourself? Fuzzy-Based Explanation, Miroslav Svitek, Vladik Kreinovich

Departmental Technical Reports (CS)

To a lay person reading about history of physics, it may sound as if the progress of physics comes from geniuses whose inspiration leads them to precise equations that -- almost magically -- explain all the data: this is what Newton did with mechanics, this is what Schroedinger did with quantum physics, this is what Einstein did with gravitation. However, a deeper study of history of physics shows that in all these cases, these geniuses did not start from scratch -- they formalized ideas that first appeared in imprecise ("fuzzy") form. In this paper, we explain -- on the qualitative …

Can Physics Attain Its Goals: Extending D'Agostino's Analysis To 21st Century And Beyond, Olga Kosheleva, Vladik Kreinovich

Departmental Technical Reports (CS)

In his 2000 seminal book, Silvo D'Agostino provided the detailed overview of the history of ideas underlying 19th and 20th century physics. Now that we are two decades into the 21st century, a natural question is: how can we extend his analysis to the 21st century physics -- and, if possible, beyond, to try to predict how physics will change? To perform this analysis, we go beyond an analysis of what happened and focus more on why para-digm changes happened in the history of physics. To better understand these paradigm changes, we analyze now only what were the main ideas …