Physics Commons^™

Computational Calculations On Zno (0001) And Zno (1010) Surfaces With And Without Pd Adatoms, Amit Aich

Theses and Dissertations

In this research work, first-principles density functional theory (DFT) was used to study O-terminated, Zn-terminated ZnO (0001) surfaces and non-polar ZnO (1010) surfaces. Both clean surfaces and those with Pd or PdO adatoms were examined. Adsorption was considered at O, Zn and hollow sites. After structural relaxation, we analyzed the electronic, optical and adsorption properties. The O-terminated ZnO (0001) surface has a larger band gap of 0.76 eV and p-type conduction. The Zn-terminated surface has a smaller band gap of 0.15 eV and shows n-type behavior. Pd adsorption modifies ZnO’s electronic structure in a site-dependent manner. On O-terminated surfaces, it …

Insights Into The Radiation Chemistry Of Flash Radiation Therapy, Alan E. Lopez Hernandez

Dissertations and Theses (Open Access)

Purpose: FLASH radiation therapy (FLASH-RT) is an emerging modality that delivers radiation at ultra-high dose rates (UHDR) and has shown consistent normal tissue sparing while preserving tumor control compared to conventional RT—a phenomenon termed the FLASH effect. Despite promising results, the mechanisms behind the FLASH effect remain unclear. Many hypotheses point to radiolytic interactions, but experimental validation is limited. This work aims to develop a robust experimental platform to evaluate the relationship between radiolytic species production and physical beam parameters relevant to FLASH-RT, alongside dosimetry tools for reliable UHDR beam characterization.

Methods: A beam collector (BC) Faraday cup detector was …

Facilitating The Clinical Translation Of Flash Radiotherapy Through Dosimetry Development And Beam Parameter Optimization, Kevin Liu

Dissertations and Theses (Open Access)

Advisory Professor: Emil Schüler, PhD

Radiation therapy (RT) is a crucial component of curative cancer therapy, with a majority of cancer patients in the United States receiving RT as part of treatment. The goal of RT is to maximize the therapeutic index in curing disease while minimizing any associated normal-tissue complications¹. Recently, ultra-high dose-rate (UHDR) RT (mean dose rates ≥40 Gy/s for a total duration of ≤200 ms) has been reported to selectively spare normal tissues and organs while maintaining an isoeffective tumoricidal effect compared to conventional (CONV) dose rate RT in a variety of in vivo preclinical …

A Study On The Propagation And Exploitation Of Structured Light In Underwater Turbulence, Jaxon P. Wiley

All Dissertations

The development and optimization of optical systems will play a pivotal role in the continued exploration and exploitation of the world’s underwater environments. These systems offer advantages in many sectors, and includes applications in areas such as high-speed communication, advanced sensing and imaging, and environmental characterization and monitoring. Underwater environments offer a plethora of challenges, however, and mitigating these obstacles remains an arduous task. In this work, the inherent advantages of structured light are leveraged to optimize optical system performance through non-ideal underwater conditions. Additionally, fundamental relationships between the generation of specified structured modes and their interactions with complex environments …

Study On Self-Interaction Errors In Molecular Properties And Magnetic Behaviour Of 2d Materials Under External Stimuli Using Density Functional Theory, Prakash Mishra

Open Access Theses & Dissertations

Density Functional Theory (DFT) has established itself as a practical and versatile method for efficiently studying the properties of materials of solids and molecules. Despite being exact in principle, in practice, DFT calculations rely on an approximation for the exchange-correlation energy functional of the electron density. This results in an erroneous interaction of the electron with itself, known as the self-interaction error (SIE). It arises from the fact that the exchange self-interaction does not exactly cancel out the Coulomb self-interaction. Due to this error, the approximate one-electron potential decays exponentially in the asymptotic region rather than exhibiting the correct ?1 …

Roles Of Three Conserved Active Site Residues Of Cytochrome C Nitrite Reductases During The Early Steps Of Nitrite Reduction, Shahama Alam, Bradley J. Dimock, Brian Bennett, Steven J. Reinhardt, Shahid Shahid, A. Andrew Pacheco, Jarett Wilcoxen

Physics Faculty Research and Publications

Cytochrome c nitrite reductases (ccNiRs) catalyze reduction of nitrite to ammonium in a six-electron, eight-proton process. This report explores how the behavior of three active site ccNiR variants differs from that of the wild type enzyme (ccNiR_wt) in the presence of nitrite and a variety of electron donors. While the nitrite-loaded active site of Shewanella oneidensis ccNiR_wt could be 2-electron reduced within seconds to yield a 6-coordinate ferrous nitrosyl ({Fe(L)NO}⁷) at high applied potentials, quantitative reduction of the nitrite-loaded variants R103Q, H257Q, or Y206F required substantially stronger reductants and yielded a different product over several …

Unfolding Particle Detector Effects And Solving Qcd Inverse Problem With Generative Ai, Tareq Saeed Alghamdi

Computer Science Theses & Dissertations

Advancements in artificial intelligence (AI) have revolutionized high-energy physics by enabling generative models to address key detector-related Challenges. This work explores the generative model to mitigate smearing, acceptance, and inefficiency in particle detectors, enhancing experimental precision.

We present a generative model-based framework to model and correct detector distortions. Using the Jefferson Lab CLAS g11 experiment as a case study, our approach successfully unfolds detector effects in multi-particle final states while preserving multidimensional correlations despite complex reaction mechanisms. A key focus is addressing the acceptance problem—accurately modeling detector acceptance without computationally expensive simulations. By training generative model-based framework on simulated detector …

Squeezing Information From Radio Surveys To Probe The Primordial Universe, Dionysios Karagiannis, Roy Maartens, Shun Saito, José Fonseca, Stefano Camera, Chris Clarkson

Physics Faculty Research & Creative Works

A major goal of cosmology is to understand the nature of the field(s) which drove primordial Inflation. Through future observations, the statistics of large-scale structure will allow us to probe primordial non-Gaussianity of the curvature perturbation at the end of Inflation. We show how a new correlation statistic can significantly improve these constraints over conventional methods. Next-generation radio telescope arrays are under construction which will map the density field of neutral hydrogen to high redshifts. These telescopes can operate as an interferometer, able to probe small scales, or as a collection of single dishes, combining signals to map the large …

Quantum Dot Light Emitting Diodes As A Light Source For Photodynamic Therapy, Hamid El Hamidi

Graduate Doctoral Dissertations

ABSTRACT:

QUANTUM DOT LIGHT EMITTING DIODES AS A LIGHT SOURCE FOR PHOTODYNAMIC THERAPY

Photodynamic therapy is a cancer treatment modality that involves the accumulation of a photosensitizer, exposure to visible light, and the presence of oxygen, resulting in the formation of highly reactive and cytotoxic singlet oxygen. PDT has been shown to be more effective as the fluence rate decreases due to oxygen availability and the absence of photobleaching. On the other hand, Quantum Dot Light Emitting Diodes QLEDs- a new form of light source based on nanoparticles (quantum dots)- emerge as a potentially advantageous light source for certain types …

The Vvv Near-Ir Galaxy Catalogue Of The Southern Galactic Disc, M. V. Alonso, L. D. Baravalle, J. L. Nilo-Castellón, C. Villalon, M. Soto, M. A. Sgro, I. V. Daza-Perilla, C. Valotto, M. Lares, Lucas M. Macri

Physics & Astronomy Faculty Publications

Context. The distribution of galaxies in the zone of avoidance (ZoA) is incomplete due to the presence of our own Galaxy.

Aims. Our research is focussed on the identification and characterisation of galaxies in the ZoA, using the new near-infrared (NIR) data from the VVVX survey in regions covering the southern Galactic disc (230° <  l <  350°).

Methods. We used our previously established procedure, based on photometric and morphological criteria, to identify galaxies. The large data volume collected by the VVVX required alternatives to visual inspection, including artificial intelligence techniques such as classifiers based on neural networks.

Results. The VVV NIR galaxy …

The Scintillator Surface Detector Of The Pierre Auger Observatory, A. Abdul Halim, P. Abreu, M. Aglietta, I. Allekotte, K. Almeida Cheminant, A. Almela, B. Fick, K. Nguyen, D. Nitz, Et Al.

Michigan Tech Publications

Data collected so far by the Pierre Auger Observatory have enabled major advances in ultrahigh energy cosmic ray physics and demonstrated that improved determination of masses of primary cosmic-ray particles, preferably on an event-by-event basis, is necessary for understanding their origin and nature. Improvement in primary mass measurements was the main motivation for the upgrade of the Pierre Auger Observatory, called AugerPrime. As part of this upgrade, scintillator detectors are added to the existing water-Cherenkov surface detector stations. By making use of the differences in detector response to the electromagnetic particles and muons between scintillator and water-Cherenkov detectors, the electromagnetic …

Ferroelectricity And Multiferroicity In Ultrathin Films Of Unconventional Transition Metal Oxide, Xin Li

Department of Physics and Astronomy: Dissertations, Theses, and Student Research

Ferroic orders of transition metal oxides, such as ferroelectricity and ferromagnetism, are determined by the intercoupling between spin, charge, lattice. Consequently, ferroic epitaxial thin films have attracted wide interest due to the profuse novel phenomena and the great application potentials for modern electronics. However, the mainstream of the study for transition metal oxides has focused on perovskite structure, limiting the understanding and discovery of novel phenomena associate with ferroic orders. In this thesis, the epitaxial films of hexagonal rare-earth ferrites (h-RFeO₃) and fluorite-structure hafnia oxide (HfO₂) are studied comprehensively, providing new experimental and theoretic …

Synthesis, Structural Characterization And Optical Studies Of Silver-Indium-(Zinc)-Chalcogenide Fluorescent Quantum Dots, Sujal Acharya

Graduate Theses and Dissertations

Developing a non-toxic, high-performance fluorescent nanomaterial is crucial for overcoming the environmental and health restrictions of current cadmium, and lead based quantum dots (QDs), which limit the application of quantum dots in optoelectronics and bioimaging. In this thesis, we synthesized environmentally friendly AgInS2 QDs by a colloidal method, systematically altering the In/Ag precursor ratio from 2 to 6 to study the impact on their optical and photophysical properties. Our goals were to find the optimal stoichiometry for maximum quantum efficiency and stability. We also investigated further improving optical and photophysical properties through shelling with ZnS. The emission spectra appeared broad, …

Strain Induced Quantum Emitters In Monolayer Wse₂: Fabrication And Characterization Of Dimple Dot Devices, Garrett Maxwell Kitterman

Graduate Theses and Dissertations

Strain induced defects in monolayer tungsten diselenide (WSe₂) give rise to localized exciton funnels, offering a promising approach for the development of tunable quantum emitters. The quantum devices fabricated for this thesis used a modified dimple dot geometry, in which nano indentation creates a strain profile on the monolayer WSe₂. This allows for the funneling of excitons to a confined region. These strain induced funnels enable localized emission from single excitons in WSe₂. Device fabrication was carried out through mechanical exfoliation, dry transfer, and electron beam lithography of Cr/Au gates on a SiO₂ substrate. These devices were then characterized using …

Aluminum Doped Tin Sulfide Thin Films For Solar Cell Applications, Gabriel Rodriguez Guijarro

Open Access Theses & Dissertations

Tin sulfide (SnS) is theorized to be a suitable material for solar cells, but there are some difficulties that have not been overcome when making thin films that have the properties needed to compete with other materials. This work investigates the structural and optoelectronic properties of aluminum-doped SnS thin films, deposited via magnetron cosputtering physical vapor deposition at different temperatures. To characterize the films a variety of techniques were used: Raman spectroscopy, SEM, TEM, X-Ray Reflectivity, and UV-Vis spectroscopy. The results show that the target stoichiometry is a relevant parameter to take into account when growing SnS thin films, the …

Advancing Real-World Implementation Of The Well Optimized Linear Finder (Wolf) High-Speed Atmospheric Turbulence Compensation Method, Timothy Evan Coon

Theses and Dissertations

This dissertation advances the real-world implementation of the Well Optimized Linear Finder (WOLF) method for high-speed Atmospheric Turbulence Compensation (ATC). Atmospheric turbulence introduces phase aberrations into optical wavefronts and degrades image quality in terrestrial imaging systems. Traditional phase diversity methods are computationally intensive and poorly suited to real-time operation. The WOLF method addresses these limitations through a novel, point-wise formulation of the optical transfer function (OTF) as a structured autocorrelation of the generalized pupil function (GPF). This formulation enables the estimation of phase aberrations at individual spatial coordinates with distributed computational complexity.

The research begins by developing a MATLAB-based simulation …

Investigating Global Lightning Observed From Ground And Space, And Its Relationship To Solar Activity, Megan Diane Mark

Theses and Dissertations

The extremes of lightning, specifically lightning with long-lasting continuing currents and lightning with extremely high peak currents, are investigated from both ground- and space-based observations. Additionally, the potential solar influence on lightning is investigated on large spatial scales.

Continuing currents may occur following the impulsive flow of current during a cloud-to-ground (CG) return stroke and are usually low amplitude (from a few amperes to a few kiloamperes) and long duration (several to hundreds of milliseconds). Remotely estimating their duration from the electromagnetic fields measured by existing ground-based lightning locating systems (LLSs) is not possible, but some space-based lightning detection systems …

Advancing Lithium-Ion Batteries Through Exploration Of Novel Physico-Chemical Phenomena, Peshal Karki

All Dissertations

Lithium-ion batteries (LIBs) power a wide range of modern devices, from smartphones to electric vehicles. This dissertation integrates materials characterization and electrochemical testing to develop novel Si-based electrode materials, investigate separator effects, and improve electrochemical impedance spectroscopy (EIS) modeling. First, I synthesized Si@CC composites using bio-based carbon sources and discovered a novel in situ disorder reduction in the amorphous carbon cloud during cycling, attributed to Si volume fluctuations and mesoporous carbon structure, which enhanced capacity retention. A binder-free electrode (Si@CC@BP) using bucky paper further improved gravimetric and areal capacities while reducing weight and manufacturing complexity.

Next, I investigated how separator …

An Investigation Into The Principle Of Symmetric Criticality, Guillermo Frausto

All Graduate Theses and Dissertations, Fall 2023 to Present

In physics, symmetries help us understand complex systems by revealing conserved quantities and simplifying equations. In the context of general relativity, where spacetime is curved and dynamic, these symmetries become especially important when trying to reduce or solve the equations that govern gravitational and matter fields.

This dissertation investigates a mathematical principle known as the Principle of Symmetric Criticality (PSC), which helps determine when symmetries can be used to simplify physical theories without losing essential information. While often assumed to be valid, PSC does not always hold, and understanding when it does is critical for the reliable use of symmetry …

Enhancing The Design Of Strained Superlattice Gallium Arsenide Based Photocathodes With Distributed Bragg Reflector, Adam D. A. Masters

Electrical & Computer Engineering Theses & Dissertations

Particle accelerators play a crucial role in our understanding of matter and the universe and have numerous practical applications in various fields. These devices enable scientists to examine the smallest components of matter, study the forces that govern their interactions, and probe conditions from the early universe. Moreover, accelerators are valuable in medicine, industry, and research, enhancing imaging methods, cancer therapies, and manufacturing techniques. As the experiments conducted at these facilities evolve and require higher precision, improved particle sources must continue to advance to keep up with their requirements. To do that, we enhanced the design of spin polarized electron …

Flux Trapping Sensitivity On The Metallurgical State Of Superconducting Radio Frequency Niobium, Bashu Dev Khanal

Physics Theses & Dissertations

Trapped magnetic flux in superconducting radio-frequency (SRF) niobium cavities due to the incomplete Meissner effect is a significant source of rf losses. The relationship between flux expulsion and flux trapping sensitivity to the metallurgical state of 1.3 GHz and 3.0 GHz SRF niobium cavities fabricated from standard and cold-worked Nb sheets and subjected to various heat treatments has been studied. Flux expulsion increased with higher heat treatment temperature in all cavities. Nb cavities made from cold-worked sheets showed better flux expulsion after 800 ◦C/3 h compared to the standard SRF-grade Nb cavities. Similar flux expulsion was observed after annealing at …

Algebraic Multigrid Methods For Nonsymmetric And Indefinite Problems: Theory And Applications, Ahsan Ali

Mathematics & Statistics ETDs

Algebraic multigrid (AMG) is a well-established and highly efficient solver for symmetric positive definite (SPD) systems arising from elliptic and parabolic PDEs, while nonsymmetric systems from hyperbolic PDEs remain a significant challenge. This dissertation develops AMG methods and theory for nonsymmetric problems. First, we develop a novel approach combining mode constraints from energy-minimization AMG with local approximations of ideal restriction in $\ell$AIR, resulting in constrained $\ell$AIR (C$\ell$AIR), which demonstrates scalable convergence across advective and diffusive problems. Second, we extend optimal AMG theory by deriving spectral radius estimates for the two-grid error transfer operator using matrix-induced orthogonality, enabling convergence predictions for …

Computational And In Vitro Investigation Of P. Crocatum Bioactive Compounds As Pancreatic Lipase Inhibitors, Gusnia Meilin Gholam, Dimas Andrianto, Dewi Anggraini Septaningsih, Mega Safithri

Karbala International Journal of Modern Science

Obesity, a prevalent metabolic disorder characterized by excessive fat accumulation, can severely affect overall health if left untreated. This study investigated the potential of a 70% ethanol extract from Piper crocatum (red betel) leaves as an in vitro inhibitor of pancreatic lipase (PL), supported by computational analyses to identify alternative compounds to orlistat. The phytochemical profile was characterized using LC-MS/MS, revealing alkaloids and terpenoids with contents of 1.1 ± 0.01 mg CE/g and 3.14 ± 0.3 mg UAE/g, respectively. The extract exhibited 49 ± 9.1% inhibition of PL activity. Molecular docking identified three promising compounds: calanolide A (10.43 kcal/mol), myricanone …

Phase Nanoscopy With Correlated Frequency Combs, Xiaobing Zhu

Optical Science and Engineering ETDs

In this dissertation a sensing method applying to any physical quantity that modifies optical phase is developed. Two pulses are produced inside a synchronously pumped Optical Parametric Oscillator, generating two identical, undistinguishable frequency combs. The physical quantity to be measured applies a small phase shift/round trip to one of the pulses, resulting in a frequency shift of the corresponding comb. The latter frequency is measured as a beat by interfering the two combs on a detector. A world record resolution, close to the quantum limit, of 0.033 nanoradian (corresponding to 0.006 fm in displacement) is achieved. A detailed analysis of …

Advancing Diamond Quantum Sensors: Isotropic Flux Concentrators And Phase Noise Mitigation, Maziar Saleh Ziabari

Optical Science and Engineering ETDs

Two methods for improving the sensitivity of nitrogen vacancy quantum sensors in diamond are explored. First, by passively concentrating the magnetic flux, three orthogonally oriented ferrite truncated cone pairs amplify the field isotropically by 19 times, allowing measurement of Earth's field without a bias field and increasing sensitivity. Through thorough analysis, modeling and tuning a novel 3-dimensional flux concentrator system, we achieve a fractional standard deviation of less than 1% anisotropy and quantify minimal deadzones and ambient temperature-limited variations below 40 nT/hour. Second, we characterize, model and calculate phase noise in NV experiments, which in NV sensors is effectively indistinguishable …

A Systematic Approach To The Characterization Of Liquid-Vapor Coexistence In Platinum, Meghan K. Lentz

Physics & Astronomy ETDs

Platinum is a material standard used in high pressure and shock compression experiments at Sandia National Laboratories. During experiments, materials are subjected to a very large range of thermodynamic conditions, during which materials regularly enter the liquid-vapor coexistence region. Despite its status as a standard, the region around the liquid-vapor critical point is poorly understood for platinum, with reported critical temperatures spanning approximately 7000 K. In this dissertation we conduct density functional theory based molecular dynamics (DFTMD) simulations for platinum for a range of temperatures and densities near liquid-vapor coexistence. The phase diagram for platinum is refined near the critical …

Thermally Tunable Mid-Infrared Nanocavity Resonance Of Coupled Surface Plasmon-Phonon Polaritons, Satya R. Kachiraju, Zachary M. Brown, Sundar Kunwar, Long Chang, Imtiaz Ahmad, Pinku Roy, Vladimir Kuryatkov, Yejin Kwon, Ayrton A. Bernussi, Chase T. Ellis

Physics & Astronomy Faculty Publications

Phase-change materials (PCMs) are essential for achieving tunability of metasurfaces. However, they frequently face limitations in the long-wave infrared range because of their lossy behavior. Here, we experimentally demonstrate a thermally tunable mid-infrared nanocavity resonance from coupled surface plasmon-phonon polaritons that are supported within a trilayer structure of metal-PCM layer-polar dielectric (Au-VO2-SiC). The top metal structures configure the Fabry-Perot cavity resonance near 840 cm−1 (11.9 µm), which is sensitively tunable and reversible with small changes in the VO2 refractive index ∆n near below its insulator-to-metal phase transition temperature where the loss is small. The maximum resonance shift of 7.7 cm−1 …

Table Of Contents

Journal of the South Carolina Academy of Science

No abstract provided.

Estimating Galactic Structure Using Galactic Binaries Resolved By Space-Based Gravitational Wave Observatories, Shao-Dong Zhao, Xue-Hao Zhang, Soumya Mohanty, Màrius Josep Fullana I Alfonso, Yu-Xiao Liu, Qung-Ying Xie

Physics & Astronomy Faculty Publications

Space-based gravitational wave detectors, such as the Laser Interferometer Space Antenna (LISA) and Taiji, will observe GWs from O(108) galactic binary systems, allowing a completely unobscured view of the Milky Way structure. While previous studies have established theoretical expectations based on idealized data-analysis methods that use the true catalog of sources, we present an end-to-end analysis pipeline for inferring galactic structure parameters based on the detector output alone. We employ the GBSIEVER algorithm to extract GB signals from LISA Data Challenge data and develop a maximum likelihood approach to estimate a bulge-disk galactic model using the resolved GBs. We introduce …

Newtonian Fractional-Dimension Gravity And The Mass-Dimension Field Equation, Gabriele U. Varieschi

Physics Faculty Works

We resume our analysis of Newtonian Fractional-Dimension Gravity (NFDG), an alternative gravitational model which does not require the Dark Matter (DM) paradigm. We add three more galaxies (NGC 6946, NGC 3198, NGC 2841) to the catalog of those studied with NFDG methods. Once again, NFDG can successfully reproduce the observed rotation curves by using a variable fractional dimension D (R), as was done for nine other galaxies previously studied with these methods. In addition, we introduce a mass-dimension field equation for our model, which is capable of deriving the fractional mass-dimension Dm (R) from first principles, as opposed to the …