Engineering Commons^™

Viability Of Magnetic Nanoparticles For Magnetic Hyperthermia Cancer Therapy, Marcos Adrian Garcia

Open Access Theses & Dissertations

Over the last few decades magnetic nanoparticles have gained an extraordinary amount of attention in the science community. Their versatile use in many different research areas such as medicine, engineering and technology and many other areas has made them a popular subject. In this thesis, the synthesis of different systems of magnetic nanoparticles will be explored along with the potential use of the MNP's as viable candidates for Magnetic Hyperthermia Cancer Therapy. With values of over 200 emu/g for Iron-Silver magnetic nanoparticles with particle sizes ranging from 30-70nm and their heating properties under an AC magnetic field. As well of …

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 …

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 …

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. …

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 …

A Study Of The Frustrated Honeycomb Battery Material Na2ni2teo6, Nathan Christopher Episcopo

Open Access Theses & Dissertations

The P2-type layered hexagonal compound Na2Ni2TeO6 with Ni2+ on a honeycomb lattice was synthesized by the standard solid-state route. Structural characterization chemical phase purity was confirmed by Rietveld refinement of laboratory and synchrotron data. The crystal structure refines well in the P63/mcm space group. Single crystal growth trials using the self-flux-melt method were conducted with limited success. The magnetic transition temperature pertaining to Ni2+ lattice was confirmed by analysis of specific heat capacity to be . The magnetic susceptibility remains largely unchanged in magnetic field of and external pressure of . There is an almost linear response in isothermal magnetization …

High Frequency Electron Spin Resonance Investigations On Quasi-Two-Dimensional Chromium Halide Magnets, Christian Saiz

Open Access Theses & Dissertations

Broadening the knowledge and understanding on the magnetic correlations in van der Waals layered magnets is critical in realizing their potential next-generation applications in devices such as spintronics. In this study, we employ high frequency (ν = 120 GHz, 240 GHz) electron spin resonance (ESR) spectroscopy on plate-like CrX3 (where X = Cl, Br, I) to gain insight into the magnetic interactions as a function of temperature (200 – 4.4 K) and the angle of rotation θ (degrees). We find that the temperature dependence of the ESR linewidth is well described by the Ginzburg-Landau critical model, indicative of antiferromagnetic correlations …

Independent And Simultaneous Control Of Electromagnetic Wave Properties In Self-Collimating Photonic Crystals Using Spatial Variance, Jesus Javier Gutierrez

Open Access Theses & Dissertations

Photonic crystals are engineered periodic structures that provide great control over electromagnetic waves. One of these mechanisms is self-collimation, in which the electromagnetic wave travels through the photonic crystal along an axis of the lattice without diffracting or spreading. This mechanism of self-collimation is a dispersion phenomenon, which is dependent on the unit cell's physical and geometrical characteristics. An algorithm for generating spatially variant lattices (SVL) was developed that can change geometrical properties in photonic crystals as a function of position, like unit cell orientation, fill fraction, symmetry, and others in a manner that is smooth, continuous, and virtually free …

Development Of Software Tools And Experimental In Situ Electron Spin Resonance For Characterizing The Magnetic And Electrocatalytic Properties Of Transition Metal Chalcogenide Crystals, Jose Armando Delgado

Open Access Theses & Dissertations

Studying the magnetic properties and crystal defects of transition metal chalcogenide crystals is of paramount importance for utilizing them for next generation spintronics devices and hydrogen evolution reaction catalysts. Hydrothermally grown transition metal chalcogenide nanocrystals (MoS2, Ru2S3, Rh2S3, Co2S8) were chosen as catalysts for the hydrogen evolution reaction due to their low dimensionality and previous utilization as catalysts for hydrodesulfurization. The relationship between crystal defect sites and catalytic activity must be discerned to maximize the efficiency of hydrogen production during the hydrogen evolution reaction. ESR spectroscopy was utilized as a spin sensitive technique to study the defects and local changes …

Planar Motion Control Of A Cube Satellite Using Cold Gas Thrusters, Christian Lozoya

Open Access Theses & Dissertations

This Thesis presents a mathematical model developed for the computational simulation ofCubeSat movement using four thrusters that permit uniaxial translation and rotation. Arbitrary functions are fit to boundary conditions to simulate the force, acceleration, velocity, and displacement of the CubeSat along a plane. The model is used to derive a motion control algorithm assuming constant pressure and mass. A single model describes both translation and rotation. This Thesis also explores the relationship between propellant consumption and the time required to complete a displacement implied by the model.

Computational Studies On Perovskite-Metallofullerene Interface And Magnetic Properties Of Mn-Based Mixed Olivines, Bethuel Omutiti Khamala

Open Access Theses & Dissertations

Methyl ammonium lead halide (MAPbX3) perovskite based solar cells have recently emerged as promising class of materials for photovoltaic applications with efficiencies reaching over 22%. Designing interfaces with strong binding is vital to developing efficient, high-performing solar cells. Fullerene-based materials are widely employed as efficient electron acceptors and can serve as electron transporting layer in perovskite based solar cells. We have studied interfaces of methyl ammonium lead iodide MAPbI3 with Sc3N@C80 fullerene and Sc3N@C80PCBM fullerene derivate within the density functional formalism. Different surface terminations and orientations of the methyl ammonium are examined for binding of the fullerene layer. Our calculated …

Magnetic Nanoparticles For Hyperthermia For Cancer Treatment, Bianca Paola Meneses Brassea

Open Access Theses & Dissertations

Fe3O4 and NixCu4-x magnetic nanoparticles were synthesized using supercritical conditions of liquids and wet chemistry, respectively. Characterization methods (VSM, SEM, TEM, and magnetic hyperthermia) yielded results that prove feasibility for magnetic hyperthermia for cancer treatment.

Experimental Laser Powder Bed Fusion System For Difficult To Process Metallic Materials, Syed Zia Uddin

Open Access Theses & Dissertations

The focus of this research was twofold, such as development of defect free fabrication parameters for laser powder bed fusion (LPBF) processing of crack prone or difficult to process metallic materials, and study of the temperature dependence of emissivity for some commonly used metal alloy powders in LPBF process. The later objective extends to the implementation of multiwavelength (MW) pyrometer technology for in situ true surface temperature measurement in LPBF process. LPBF is an additive manufacturing (AM) process capable of layer-by-layer manufacturing by successive laser melting of each layer according to CAD data. AM manufacturing has the inherent advantages of …

Magnetic And Catalytic Properties Of Transition Metal Doped Mos2 Nanocrystals, Luis Martinez

Open Access Theses & Dissertations

Magnetism and catalytic activity of nanoscale layered two-dimensional (2D) transition metal dichalcogenides (TMDs) have gained an increasing research interest in the recent past. To broaden the current knowledge and understanding on this subject, in this work, together with my collaborators, I study the magnetic and electrocatalytic properties of hydrothermally grown pristine and transition metal doped (10% of Co, Ni, Fe and Mn) 2H-MoS2 nanosheets/nanocrystals (NCs), with the particle size of 25-30 nm. A broad range of experimental measurements such as x-ray diffraction, transmission electron microscopy, x-ray photo absorption spectroscopy, Raman spectroscopy, magnetic, catalytic and electron spin resonance have been employed …

Methods For Producing Graphene From Petroleum By-Products, Eva M. Deemer

Open Access Theses & Dissertations

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Raman Microscopic Analysis Of Internal Stress In Boron-Doped Diamond Thin Films, Emma M.A. Sundin

Open Access Theses & Dissertations

The correlations between induced stress on undoped and boron-doped diamond (BDD) thin films, sample chemical composition, and fabrication substrate are investigated in this study via confocal Raman microspectroscopic analysis. Stability of BDD films is relevant to fast-scan cyclic voltammetry, as film delamination and dislocation of BDD-coated electrodes that can occur during neurosurgical electrode implantation can negatively impact the biosensing reliability of this technique. Electrodes were fabricated by coating cylindrical tungsten rods using a custom-built chemical vapor deposition reactor. The results of the analysis reveal a direct correlation between regions of pure diamond and enhanced material stress, as well as preferential …

Label-Free Raman Imaging To Monitor Breast Tumor Signatures, John Ciubuc

Open Access Theses & Dissertations

Methods built on Raman spectroscopy have shown major potential in describing and discriminating between malignant and benign specimens. Accurate, real-time medical diagnosis benefits in substantial improvements through this vibrational optical method. Not only is acquisition of data possible in milliseconds and analysis in minutes, Raman allows concurrent detection and monitoring of all biological components. Besides validating a significant Raman signature distinction between non-tumorigenic (MCF-10A) and tumorigenic (MCF-7) breast epithelial cells, this study reveals a label-free method to assess overexpression of epidermal growth factor receptors (EGFR) in tumor cells. EGFR overexpression sires Raman features associated with phosphorylated threonine and serine, and …

Ac Susceptibility And Epr Investigations Of Superspin Dynamics In Manganese Oxide Nanoparticles, Mahesh Koirala

Open Access Theses & Dissertations

We have investigated the superspin dynamics of 5 nm and 10 nm mixed state Mn3O4 nanoparticles utilizing ac-susceptibility and electron paramagnetic resonance measurements. The out of phase component of the ac-susceptibility measurements show a magnetic anomaly below (T

Dft Study Of Adsorption Of Trimetallic Endohedral Fullerenes On Graphene, Nakul Nitin Karle

Open Access Theses & Dissertations

A density functional theory (DFT) study on the geometric and electronic structure of C60 and Sc3N@C80 along with their adsorption on pristine single layer graphene (SLG) is presented. C60 is found to adsorb in two nearly degenerate configurations: (i) with a pentagon facing the SLG, which is the most stable one, and (ii) with a hexagon facing the SLG in a face-to-face perfect alignment, rarely common in Ï?â??Ï? interactions, 0.06 eV higher in energy. The calculated binding energy of 0.76 eV, which includes dispersion effects, is in good agreement with previous theoretical and experimental reports. On the contrary, Sc3N@C80 adsorption …

Bragg Gratings In Polarization Maintaining Optical Fiber As Three Dimensional Strain Sensor, Joel Quintana

Open Access Theses & Dissertations

Fiber-Bragg Gratings (FBG) for Structural Health Monitoring (SHM) have been studied extensively as they offer electrically passive operation, electromagnetic interference (EMI) immunity, high sensitivity and multiplexing as compared to conventional electric strain sensors. FBG sensors written within polarization maintaining (PM) optical fiber offer ad- ditional dimensions of strain measurement, greatly reducing the number of sensors needed to properly monitor a structure. This reduction however, adds complexity to the dis- crimination of the sensorâ??s optical response to its corresponding applied strains. This Dissertation defines the set of algorithms needed to measure planar strain using PM-FBGs exclusively. It defines the minimum number …

Electronic Structure Studies On Transition Metal Containing Endohedral Fullerenes, Carbon Onions And Zinc Sulfide Cages, Shusil Bhusal

Open Access Theses & Dissertations

We present the most stable structures for VXSc3-XN@C2n (where X=1-3 and 2n=70, 76, 78 and 80) using a systematic procedure that involves all possible isomers of the host fullerene cages. Subsequently, a detailed investigation of structural and electronic properties of the lowest energy isomers is performed using density functional theory in combination with large polarized Gaussian basis sets. The search procedure developed involved structural optimizations of thousands of fullerenes and correctly identifies the experimentally observed VSc2N@C80 and V2ScN@C80 isomer as the most stable structures. The structural analysis shows that a few V-doped endohedral fullerenes do not follow the isolated pentagon …

Towards The Possibility Of Objective Interval Uncertainty In Physics. Ii, Luc Longpre, Olga Kosheleva, Vladik Kreinovich

Departmental Technical Reports (CS)

Applications of interval computations usually assume that while we only know an interval containing the actual (unknown) value of a physical quantity, there is the exact value of this quantity, and that in principle, we can get more and more accurate estimates of this value. Physicists know, however, that, due to uncertainty principle, there are limitations on how accurately we can measure the values of physical quantities. One of the important principles of modern physics is operationalism -- that a physical theory should only use observable properties. This principle is behind most successes of the 20th century physics, starting with …

Molecular Dynamics Study On Defect Reduction Strategies Towards The Fabrication Of High Performance Cd1-Xznxte/Cds Solar Cells, Jose Juan Chavez

Open Access Theses & Dissertations

Cadmium Telluride is a material widely used in terrestrial thin film photovoltaic applications due to its nearly ideal band gap (~1.5 eV) and high absorption coefficient. Due to its low manufacturing cost, this technology has the potential to become a significant energy resource if higher energy conversion efficiencies are achieved. However, the module efficiencies (~14%) are still far from the theoretical maximum (~30%) for this material in a single junction configuration. The reason behind this low performance is attributed to the high number of defects that are present within the device materials. The physics behind the formation mechanisms of these …

Digitally Manufactured Spatially Variant Photonic Crystals, Javier Jair Pazos

Open Access Theses & Dissertations

Metamaterials and photonic crystals are engineered composites that exhibit electromagnetic properties superior to those found in nature. They have been shown to produce novel and useful phenomena that allow extraordinary control over the electromagnetic field. One of these phenomena is self-collimation, an effect observed in photonic crystals in which a beam of light propagates without diffraction and is forced to flow in the direction of the crystal. Self-collimation however, like many of the mechanisms enabled through dispersion engineering, is effective in directions only along the principal axes of the lattice. To this effect, a general purpose synThesis procedure was developed …

The Study Of The Dielectric Properties Of The Endohedral Fullerenes, Shusil Bhusal

Open Access Theses & Dissertations

Dielectric response of the metal nitride fullerenes is studied using the density functional theory at the all-electron level using generalized gradient approximation. The dielectric response is studied by computing the static dipole polarizabilities using the finite field method, i.e. by numerically differentiating the dipole moments with respect to electric field. The endohedral fullerenes studied in this work are Sc3N@C68(6140), Sc3N@C68(6146), Sc3N@C70(7854), Sc3N@C70(7960), Sc3N@C76(17490), Sc3N@C78(22010), Sc3N@C80(31923), Sc3N@C80(31924), Sc3N@C82(39663), Sc3N@C90(43), Sc3N@C90(44), Sc3N@C92(85), Sc3N@C94(121), Sc3N@C96(186), Sc3N@C98(166). Using the Voronoi and Hirschfield approaches as implemented in our NRLMOL code, we determine the atomic contributions to the total polarizability. The site-specific contributions to the polarizability …

A Study Of Ti-Doped Wo3 Thin Films Using Comparative Theoretical And Experimental Approach, Aurelio Paez

Open Access Theses & Dissertations

Metal oxides like Tungsten Oxide (WO3) are well documented and characterized in the literature, with uses in darkening windows and mirrors, flat computer displays, solar panel cooling, and sensors (of interest in this study). Ti doping of WO3 is less documented and the focus of this study. Sample thin films of pure WO3 and varyingly Ti doped WO3 were prepared using Radio Frequency magnetron sputtering (RF) (13.56 MHz) to grow thin films on a silicon substrate. This study aims to compare multiple Ti doping percentages in WO3 theoretically and then compare with experimental data taken from thin films of various …

Rbd2po4: Room Temprature Synthesis, Chemical And Structural Stablity Upon Heating, Masoud Mollaee

Open Access Theses & Dissertations

Monoclinic RbD2PO4 polycrystals were synthesized via the room temperature crystallization of RbH2PO4 dissolved in D2O. Powder x-ray diffraction (XRD) data collected at T=25 ºC indicate that this deuterated compound crystallizes in space group P21/m with unit cell parameters a=7.688í?, b=6.192í?, c=4.781í? and β=109.02°, and is isomorphic with the intermediate-temperature phase of its hydrogenated counterpart rubidium dihydrogen phosphate (RDP). We found no evidence of previously reported [Phase Transitions 80, 17 (2007)] polymorphic phase transition in rubidium dideuterium phosphate (DRDP) upon heating from room temperature to 210 ºC. All lattice parameters vary smoothly within this temperature range, demonstrating that the P21/m phase …

Surface Plasmon Polaritons And Waveguide Modes At Structured And Inhomogeneous Surfaces, Javier Polanco

Open Access Theses & Dissertations

In chapter 1, properties of a p-polarized surface plasmon polariton are studied, propagating circumferentially around a portion of a cylindrical interface between vacuum and a metal, a situation investigated earlier by M. V. Berry (J. Phys. A: Math. Gen. 8, (1975) 1952). When the metal is convex toward the vacuum this mode is radiative and consequently is attenuated as it propagates on the cylindrical surface. An approximate analytic solution of the dispersion relation for this wave is obtained by an approach different from the one used by Berry, and plots of the real and imaginary parts of its wave number …

Structural, Optical And Electrical Properties Of Yttrium-Doped Hafnium Oxide Nanocrystalline Thin Films, Abhilash Kongu

Open Access Theses & Dissertations

Hafnium oxide (HfO2) has emerged as the most promising high-k dielectric for Metal-Oxide-Semiconductor (MOS) devices and has been highlighted as the most suitable dielectric materials to replace silicon oxide because of its comprehensive performance. In the present research, yttrium-doped HfO2 (YDH) thin films were fabricated using RF magnetron sputter deposition onto Si (100) and quartz with a variable thickness. Cross-sectional scanning electron microscopy coupled with Filmetrics revealed that film thickness values range from 700 A° to 7500 A°. Electrical properties such as AC Resistivity and current-voltage (I-V) characteristics of YDH films were studied. YDH films that were relatively thin (<1500 A°) crystallized in monoclinic phase while thicker films crystallized in cubic phase. The band gap (Eg) of the films was calculated from the optical measurements. The band gap was found to be ∼5.60 eV for monoclinic while it is ∼6.05 eV for cubic phase of YDH films. Frequency dependence of the electrical resistivity (ρac) and the total conductivity of the films were measured. Resistivity decreased (by three orders of magnitude) with increasing frequency from 100 Hz to 1 MHz, attributed due to the hopping mechanism in YDH films. Whereas, while ρac∼1Ω-m at low frequencies (100 Hz), it decreased to ∼ 104 Ω-cm at higher frequencies (1 MHz). Aluminum (Al) metal electrodes were deposited to fabricate a thin film capacitor with YDH layer as dielectric film thereby employing Al-YDH-Si capacitor structure. The results indicate that the capacitance of the films decrease with increasing film thickness. A detailed analysis of the electrical characteristics of YDH films is presented.

Crystal Structure, Phase, And Optical Properties Of Yttrium-Doped Hafnium Oxide Nanocrystalline Thin Films, Alejandro Ortega

Open Access Theses & Dissertations

Yttrium-doped hafnium oxide (YDH) nanocrystalline films were produced by sputter-deposition at various substrate times and temperatures, to produce YDH films in a wide range of thicknesses, dYDH∼25 to 1100 nm. The deposition was made onto optical grade quartz and sapphire substrates. Samples deposited on sapphire were subject to post-deposition annealing (PDA) at various times (3-24 hr) and temperatures (1100 - 1500 °C). The effect of d[special characters omitted]YDH on the crystal structure, surface/interface morphology and optical properties of YDH films was investigated. X-ray diffraction analyses revealed the formation of monoclinic phase for relatively thin films (<150nm). The evolution towards stabilized cubic phase with increasing dYDH [special characters omitted]is observed. The scanning electron microscopy results indicate the dense, columnar structure of YDH films as a function of dYDH. Spectrophotometry analyses indicate that the grown YDH films are transparent and exhibit interference fringes. The band gap was found to be ∼ 5.60 eV for monoclinic YDH films while distinct separation and an increase in band gap to 6.03 eV is evident with increasing dYDH and formation cubic YDH films. The PDA films band gaps were found to be between 5.31 and 5.72 eV, all of which exhibit secondary gaps. A correlation between growth conditions, annealing, phase evolution, and optical properties of the YDH nanocrystalline thin films is established.