Atomic, Molecular and Optical Physics Commons^™

Lafe0.925ti0.075o3 Perovskite Coated With Ethyl Cellulose: A High-Stability, Low-Hysteresis Platform For Advanced Humidity Sensing, Akhmad Futukhillah Fataba Alaih, Djoko Triyono, Rifqi Almusawi Rafsanjani

Makara Journal of Science

Humidity sensors are pivotal in numerous sectors, such as environmental monitoring, industrial automation, and health-care. This study presents the fabrication and detailed evaluation of an advanced humidity sensor using ethyl cellulose (EC)-coated LaFe_0.925Ti_0.075O₃ (LFTO) perovskite nanoparticles synthesized via the sol-gel method. The LFTO nanopar-ticles exhibited a mesoporous structure with an enhanced surface area, which significantly improved their moisture adsorption capabilities. The innovative application of EC coating addresses critical substrate adhesion issues, enhancing mechanical stability without compromising sensor sensitivity. Comprehensive performance evaluations revealed minimal hysteresis (

Designing Enhanced Nonlinearity In Plasmonic Devices With Epsilon-Near-Zero Films, Kevin Tran Le

Electrical Engineering and Computer Science (MS) Theses

The growing demand for energy-efficient optical information processing motivates compact nonlinear photonic devices that can operate at low power. Silicon photonics is a mature platform for linear optical functions, but nonlinear operation remains challenging because of its weak Kerr response, two-photon absorption at telecommunication wavelengths, and limited compatibility with deeply subwavelength plasmonic confinement. This thesis computationally investigates epsilon-near-zero thin films integrated into plasmonic waveguide architectures as a route toward stronger light–matter interaction in compact nonlinear devices.

Two waveguide geometries are examined: a hybrid metal-insulator-metal plasmonic slab waveguide incorporating an ultrathin indium tin oxide epsilon-near-zero layer (5–50 nm), and a dielectric-loaded …

Nanostructured Cathode Catalysts For Aem Electrolysis: From Catalyst Design To Degradation And Hydrogen Dynamics, Yamini Kumaran

Electronic Theses & Dissertations (2024 - present)

Anion exchange membrane water electrolysis (AEMWE) presents a promising pathway toward cost-effective and sustainable hydrogen production by integrating the chemical robustness of alkaline systems with the compact, zero-gap design of proton exchange membrane electrolyzers. However, the widespread implementation of AEMWE is limited by the availability of highly active and durable platinum-group-metal (PGM)-free catalysts and by an incomplete understanding of their degradation behavior under realistic operating conditions.

This dissertation focuses on the development, characterization, and mechanistic investigation of nanostructured MoNi₄–MoO₂-based electrodes for efficient and stable hydrogen generation under alkaline and membrane-integrated environments. MoNi₄–MoO₂ nanorods …

Intrinsic Defects (Vacancies And Antisites) In Neutron Irradiated Cdsip2 Crystals, Timothy D. Gustafson, Elizabeth M. Scherrer, Nancy C. Giles, Kevin T. Zawilski, Peter G. Schunemann, Jonathan E. Slagle, Kent L. Averett, Larry E. Halliburton

Faculty Publications

Cadmium silicon phosphide (CdSiP₂) is a nonlinear optical material widely used in optical parametric oscillators. Intrinsic defects (vacancies and antisites) are responsible for unwanted broad optical absorption bands in these crystals that degrade the performance of the devices. In the present work, optical absorption and electron paramagnetic resonance (EPR) spectra are acquired (at room temperature and 12 K, respectively) from a neutron-irradiated CdSiP₂ crystal. After the irradiation, the crystal is highly absorbing from the band edge near 600 nm to beyond 1.3 μm because of overlapping defect-related absorption bands. Heating to 550 °C removes nearly all the …

Shrinkage Study In Photopolymerisable Hybrid Sol-Gel Through Holographic Patterning, Jamshed Aftab, Izabela Naydenova, Tatsiana Mikulchyk

Articles

Photopolymerisation induced shrinkage of holographic materials is one of the main factors which needs to be considered for designing holographic optical elements (HOEs) with high accuracy in light redirection with maximum efficiency. This work studies the shrinkage in photopolymerisable hybrid sol-gel (PHSG) by examining the properties of volume transmission gratings recorded in PHSG layers. It explores both the dependence of shrinkage on the holographic grating parameters (thickness, spatial frequency, slant angle) and the effect of material aging. By using the fringe-plane rotation model, shrinkage is found to have the maximum value of 1.37 % at 765 lines/mm (19.36° slant angle) …

Transfer Efficiencies Of Surface-To-Surface Transport Of Micron-Sized Actinide Surrogate Particles, Austin R. Powell

Theses and Dissertations

Particle effluent of varying sizes is released during routine activities within laboratory environments and these particles can come in contact with a wide range of surfaces. Particles of micron size or smaller can be especially pervasive and can transfer between multiple subsequent surfaces, leading to the progressive contamination of a laboratory. Understanding the transport dynamics of micron sized particles will help inform facility personnel of the possibility of contamination by these potentially hazardous materials of interest. In this research, the transfer efficiency of micron sized surrogate actinide particles (Europium-doped Gadolinium Oxysulfide (EGOS)) is measured for multiple materials, between two particle …

Material Classification With Spectropolarimetric Lidar, Alexander J. Watson

Theses and Dissertations

A method for characterizing unknown targets using a hyperspectral polarimetric light detection and ranging (LiDAR) system is presented. Light reflected from manmade objects tends to be more polarized than light reflected from objects in the natural world. As such, polarization measurements can be used in remote sensing applications to differentiate artificial and natural objects. Previous works have attempted to characterize objects through passive polarimetric imagery. Methods developed by Cain and Lemaster and Cunningham facilitate reconstruction of the Stokes Vector from returning light. Martin used multispectral polarimetry to classify targets when the angle of incidence (AOI) is close to 0º. Here, …

Synthesis And Characterization Of Doped Rare-Earth Zinc Alloys, Partha Das

Graduate Theses/Dissertations

Rare-Earth-Zinc (RE-Zn) alloys doped with manganese represent a promising class of materials with diverse applications in magnetic, electronic, and thermoelectric devices. These alloys hold significant potential owing to the unique combination of rare-earth elements' properties with the versatility of zinc, augmented by manganese doping. In this study, I present the successful synthesis of ErMn_0.2Zn_11.8 alloys, achieved through self-flux method. The synthesized crystals were characterized using electron dispersive spectroscopy (EDS) and single crystal X-ray diffraction (XRD). Additionally, magnetic measurements were performed to investigate the magnetic properties. Future plans include DFT calculations and comparison study between Rare-Earth-Zinc alloys with …

Computational Design Of Complex Concentrated Alloys, Hamid Sharifi

Doctoral Dissertations

A high-throughput parameterization of modified embedded atom model (MEAM) interatomic potentials for combinations of Cu, Ti, Ni, Cr, Co, Al, Fe, and Mn was carried out using a genetic algorithm. Unary systems were parameterized based on DFT calculations and experimental results. MEAM potentials for 28 binary and 56 ternary combinations of the elements were parameterized to DFT results that were carried out with semi-automated frameworks. Specific attention was made to reproduce properties that impact compositional segregation, material strength, and mechanics. Utilizing the MEAM interatomic potentials and a Monte Carlo scheme, phase segregation in the CrNiCo, CuNiCr and CuNiCo fcc alloys …

A Computational Investigation Of Wood Selection For Acoustic Guitar, Jonah Osterhus

Senior Honors Theses

The acoustic guitar is a stringed instrument, often made of wood, that transduces vibrational energy of steel strings into coupled vibrations of the wood and acoustic pressure waves in the air. Variations in wood selection and instrument geometry have been shown to affect the timbre of the acoustic guitar. Computational methods were utilized to investigate the impact of material properties on acoustic performance. Sitka spruce was deemed the most suitable wood for guitar soundboards due to its acoustic characteristics, strength, and uniform aesthetic. Mahogany was deemed to be the best wood for the back and sides of the guitar body …

Advancements In Characterization Of Ancient Potteries From Southeast Asia: A Review Of Analytical Techniques, Chitnarong Sirisathitkul

Makara Journal of Science

Ancient potteries offer valuable information regarding technological advancements, life dynamics, cultural diversity, and trade routes in the past. Earthenware, stoneware, and porcelain from Southeast Asia have been characterized using several analytical techniques, as reviewed in this article. Fluorescent and diffracted X-rays give rise to elemental and phase compositions, respectively. Examination of molecular bonds requires vibrational spectroscopy, which is useful for the identification of organic materials in ancient potteries. With the advent of portable X-ray fluorescence and Raman spectrometry, on-site analysis of archeological ceramics is now possible. For in-depth analysis, synchrotron light sources can provide new insights into artifacts through X-ray …

Radiation Exposure Calibration Of The Al2o3:C With Radium-226 And Cesium-137 Using The Osl Method, Selma Tepeli Aydin

All Theses

Optically stimulated luminescence (OSL) dosimetry was utilized to calibrate Al₂O₃:C powder dosimeters, available commercially as the nanoDot® from Landauer Inc., and compare the dosimeter response to radium-226 (²²⁶Ra) and cesium-137 (¹³⁷Cs). The signal from the OSL was quantified using a microSTARii^® OSL reader also produced by Landauer Inc. Dose-response curves were developed for ²²⁶Ra and ¹³⁷Cs experiments (5 dosimeters each) at thirteen absorbed doses. Individual dosimeter response was tracked by serial number. Linear regression analysis was performed to determine if there were significant differences between the intercepts of the …

Analyzing The Effects Of Ultrafast Laser Processing On Mechanical Properties Of 3d-Printed Pla Parts, Darshan Pramodbhai Yadav

Theses and Dissertations

Recent advances in additive manufacturing technologies have already led to wide-scale adoption of 3D-printed parts in various industries. The expansion in choice of materials that can be processed, particularly using Fused Deposition Modeling (FDM), and the steady advancements in dimensional accuracy control have extended the range of applications far beyond rapid prototyping. However, additive manufacturing still has considerable limitations compared to traditional and subtractive manufacturing processes. This work addresses limitations associated with the as-deposited surface roughness of 3D-printed parts. The effects of roughness-induced stress concentrations were studied on ultimate tensile strength and fatigue life. The samples were manufactured using a …

Quantitative, Photocurrent Multidimensional Coherent Spectroscopy, Adam Halaoui

Electronic Theses and Dissertations

Multidimensional coherent spectroscopy (MDCS) is a quickly growing field that has a lot of advantages over more conventional forms of spectroscopy. These advantages all come from the fact that MDCS allows us to get time resolved correlated emission and absorption spectra using very precisely chosen interactions between the density matrix and the excitation laser. MDCS spectra gives the researcher a lot of information that can be extracted purely through qualitative analysis. This is possible because state couplings are entirely separated on the spectra, and once we know how to read the data, we can see how carriers transport in the …

Intrinsic Point Defects (Vacancies And Antisites) In Cdgep2 Crystals, Timothy D. Gustafson, Nancy C. Giles, Peter G. Schunemann, Kevin T. Zawilski, Kent L. Averett, Jonathan E. Slagle, Larry E. Halliburton

Faculty Publications

Cadmium germanium diphosphide (CdGeP₂) crystals, with versatile terahertz-generating properties, belong to the chalcopyrite family of nonlinear optical materials. Other widely investigated members of this family are ZnGeP₂ and CdSiP₂. The room-temperature absorption edge of CdGeP₂ is near 1.72 eV (720 nm). Cadmium vacancies, phosphorous vacancies, and germanium-on-cadmium antisites are present in as-grown CdGeP₂ crystals. These unintentional intrinsic point defects are best studied below room temperature with electron paramagnetic resonance (EPR) and optical absorption. Prior to exposure to light, the defects are in charge states that have no unpaired spins. Illuminating a CdGeP_{2 …}

Femtotesla Magnetometry And Nanoscale Imaging With Color Centers In Diamond, Yaser Silani

Optical Science and Engineering ETDs

Intriguing photophysical properties of color centers in diamond make them ideal candidates for many applications from imaging and sensing to quantum networking. In the first part of this work, we have studied the silicon vacancy (SiV) centers in diamond for nanoscale imaging applications. We showed that these centers are promising fluorophores for Stimulated Emission Depletion (STED) microscopy, owing to their photostable, near-infrared emission and favorable photophysical properties. In the second part, we built a femtotesla Radio-Frequency (RF) magnetometer based on the diamond nitrogen vacancy (NV) centers and magnetic flux concentrators. We used this sensor to remotely detect Nuclear Quadrupole Resonance …

Characterizing Gesn Alloys By Sem/Eds And Photoluminescence Spectroscopy, Christopher M. Sutphin

Theses and Dissertations

Germanium tin (GeSn) alloys are being studied as potential transition metal (Group IV) photoelectric semiconductors or optical detectors. GeSn alloys could be employed as an optically active material within a computer. Compared to current technologies, a direct band gap GeSn alloy can be engineered to operate with higher thermal stability and efficiency. The GeSn alloy studied was composed of Ge and Si substrates with various Sn percentages grown using remote plasma-enhanced chemical vapor deposition (RPECVD). Photoluminescence spectroscopy (PL) techniques were initially used to determine the GeSn properties, including the band gap. The Ge_91.2Sn_8.8 PL spectra suggested the …

Description Of Reaction And Vibrational Energetics Of Co2-Nh3interaction Using Quantum Computing Algorithms, Manh Tien Nguyen, Yueh-Lin Lee, Dominic Alfonso, Qing Shao, Yuhua Duan

Markey Cancer Center Faculty Publications

CO2 capture is critical to solving global warming. Amine-based solvents are extensively used to chemically absorb CO2. Thus, it is crucial to study the chemical absorption of CO2 by amine-based solvents to better understand and optimize CO2 capture processes. Here, we use quantum computing algorithms to quantify molecular vibrational energies and reaction pathways between CO2 and a simplified amine-based solvent model—NH3. Molecular vibrational properties are important to understanding kinetics of reactions. However, the molecule size correlates with the strength of anharmonicity effect on vibrational properties, which can be challenging to address using classical computing. Quantum computing can help enhance molecular …

Development Of Interatomic Potential Of High Entropy Diborides With Artificial Intelligence Approach To Simulate The Thermo-Mechanical Properties, Nur Aziz Octoviawan

Graduate Theses/Dissertations

The interatomic potentials designed for binary/high entropy diborides and ultra-high temperature composites (UHTC) have been developed through the implementation of deep neural network (DNN) algorithms. These algorithms employed two different approaches and corresponding codes; 1) strictly local & invariant scalar-based descriptors as implemented in the DEEPMD code and 2) equivariant tensor-based descriptors as included in the ALLEGRO code. The samples for training and validation sets of the forces, energy, and virial data were obtained from the ab-initio molecular dynamics (AIMD) simulations and Density Functional Theory (DFT) calculations, including the simulation data from the ultra-high temperature region (> 2000K). The study …

Exploration And Synthesis Of Half-Heusler And Disordered Ternary Intermetallic Single Crystals, Md Fahel Bin Noor

Graduate Theses/Dissertations

Due to their distinct physical and chemical characteristics, half-Heusler compounds are intermetallic materials that have undergone substantial research. The general formula for these compounds is XYZ, where X and Y are transition metals and Z is a p-block element. Thermoelectricity is among the half-Heusler compounds' most exciting potential uses, but additional possible applications include spintronics, magnetic refrigeration, and superconductivity, among others. Recently, half-Heuslers (and Heuslers) have emerged as candidates for catalysts for hydrogenation. The CoNbSn half-Heusler compound, as well as another unique intermetallic ternary compound, the disordered Mn_4-xCr_xAl₁₁, were successfully grown as single crystals …

High Energy Blue Light Induces Oxidative Stress And Retinal Cell Apoptosis, Jessica Malinsky

Capstone Showcase

Blue light (BL) is a high energy, short wavelength spanning 400 to 500 nm. Found in technological and environmental forms, BL has been shown to induce photochemical damage of the retina by reactive oxygen species (ROS) production. Excess ROS leads to oxidative stress, which disrupts retinal mitochondrial structure and function. As mitochondria amply occupy photoreceptors, they also contribute to oxidative stress due to their selectively significant absorption of BL at 400 to 500 nm. ROS generation that induces oxidative stress subsequently promotes retinal mitochondrial apoptosis. BL filtering and preventative mechanisms have been suggested to improve or repair BL-induced retinal damage, …

Machine Learning Strategies For Potential Development In High-Entropy Driven Nickel-Based Superalloys, Marium Mostafiz Mou

Graduate Theses/Dissertations

In this study, I developed Deep Learning interatomic potentials to model a multi-phase and multi-component system of Ni-based Superalloys. The system has up to three major phase constituents, namely Gamma, Gamma Prime, and Transition-metal rich Carbide. I utilized invariant scalar-based and/or equivariant, tensor-based neural network (NN) approach as implemented in DEEPMD, NEQUIP/ALLEGRO codes, respectively, and Moment Tensor Potential (MTP). For the training and validation sets, I employed the ab-initio molecular dynamics (AIMD) trajectory results and ground state DFT calculations, including the energy, force, and virial database from highly diverse compositions, temperatures, and pressures following a “High Entropy Strategy.” The Deep …

Mechanical Behavior Of Metallic Core-Shell Nanoparticles Under Compressive Loading, Phillip Tomich

Graduate Research Theses & Dissertations

Core/shell metallic nanoparticles have been shown to be a promising material type for additive manufacturing in the aerospace and automotive fields. Within additive manufacturing they will be used to accurately make an array of nanoparticles within the grains of metal matrix composites. This in turn will help to strengthen the material while remaining ductility and light weight. In this study, copper/aluminum core/shell nanoparticles are compressed under [100], [110], [111], and [112] directions to showcase their anisotropic material properties. Models of their individual counterparts were also investigated. There are no previous works showing the deformation mechanisms of copper/aluminum core/shell nanoparticles. Molecular …

Hierarchically Structured Photoelectrodes Via Atomic Layer Deposition, Justin Rowan Reed Demoulpied

Graduate Theses and Dissertations

In the search for a sustainable method to meet increasing energy needs, solar energy emerges as an underutilized, plentiful resource. Solar intermittency and requirements for transportation necessitate storing solar energy in the form of chemical bonds via artificial photosynthesis. Photoelectrochemical (PEC) water splitting generates hydrogen fuel from solar energy and water. A semiconducting material that successfully meets the complex requirements for building an industrially scalable PEC device has yet to emerge. This is leading to a reevaluation of materials previously overlooked within PEC research, mainly materials with limitations such as minimal charge carrier mobility and propensity to corrosion under illumination …

Study Of Single-Photon Wave-Packets With Atomically Thin Nonlinear Mirrors, Christopher Klenke

Graduate Theses and Dissertations

A novel controlled phase gate for photonic quantum computing is proposed by exploiting the powerful nonlinear optical responses of atomically thin transition metal dichalcogenides (TMDs) and it is shown that such a gate could elicit a π-rad phase shift in the outgoing electric field only in the case of two incident photons and no other cases. Firstly, the motivation for such a gate is developed and then the implementation of monolayer TMDs is presented as a solution to previous realization challenges. The single-mode case of incident photons upon a TMD is derived and is then used to constrain the more …

Porous Silicon Photonics For Label-Free Interferometric Biosensing And Flat Optics, Tahmid Hassan Talukdar

All Dissertations

This dissertation uses porous silicon as a material platform to explore novel optical effects in three domains: (i) It studies dispersion engineering in integrated waveguides to achieve high performance group index sensing. With proper design parameters, the sensor waveguides can theoretically achieve 6 times larger group index shift compared to the actual bulk effective refractive index shift. We demonstrate the guided mode confinement factor to be a key parameter in design and implementation of these waveguides. (ii) It explores multicolor laser illumination to experimentally demonstrate perceptually enhanced colorimetric sensing, overcoming the limitations faced by many contemporary colorimetric sensors. Our technique …

Design, Fabrication, And Characterization Of An Array Of Graphene Based Variable Capacitors, Millicent Nkirote Gikunda

Graduate Theses and Dissertations

Since it was first isolated and characterized in 2004, graphene has shown the potential for a technological revolution. This is due to its amazing physical properties such as high electrical conductivity, high thermal conductivity, and extreme flexibility. Freestanding graphene membranes naturally possesses an intrinsic rippled structure, and these ripples are in constant random motion even room temperatures. Occasionally, the ripples undergo spontaneous buckling (change of curvature from concave to convex and vice versa) and the potential energy associated with this is a double well potential. This movement of graphene is a potential source of vibrational energy.

In this dissertation, we …

Lattice Dynamics, Mechanical Properties, Electronic Structure And Magnetic Properties Of Equiatomic Quaternary Heusler Alloys Crticoz (Z = Al, Si) Using First Principles Calculations, Eesha Andharia, Hind Alqurashi, Bothina Hamad

Physics Faculty Publications and Presentations

First principles calculations are performed to investigate the thermodynamical stability, dynamical, mechanical, electronic and magnetic properties of CrTiCoZ (Z = Al/Si) novel quaternary Heusler alloys. A Y-type III atomic configuration is found to be the most stable structure for both compounds. The lattice constant values obtained using GGA-PBE approach are 5.9368 Å and 5.7853 Å for CrTiCoAl and CrTiCoSi, respectively. Using the value of elastic moduli for both the compounds, the computed Pugh’s ratio value is 2.5 and 2.7 for CrTiCoAl and CrTiCoSi, respectively, which is higher than 1.75, indicating both the compounds are ductile in nature. The melting temperatures …

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 …

Fabrication And Characterization Of Photodetector Devices Based On Nanostructured Materials: Graphene And Colloidal Nanocrystals, Wafaa Gebril

Graduate Theses and Dissertations

Photodetectors are devices that capture light signals and convert them into electrical signals. High performance photodetectors are in demand in a variety of applications, such as optical communication, security, and environmental monitoring. Among many appealing nanomaterials for novel photodetection devices, graphene and semiconductor colloidal nanocrystals are promising candidates because of their desirable and unique properties compared to conventional materials.

Photodetector devices based on different types of nanostructured materials including graphene and colloidal nanocrystals were investigated. First, graphene layers were mechanically exfoliated and characterized for device fabrication. Self-powered few layers graphene phototransistors were studied. At zero drain voltage bias and room …