Physical Sciences and Mathematics Commons^™

Using Superatomic Clusters And Charge Transfer Ligands To Control Electronic Characteristics Of Phosphorene Nanoribbons And Phosphorene Monolayer, Ryan Lambert

Theses and Dissertations

Phosphorene is a two-dimensional electron poor p-type semiconductor with high carrier mobility and great promise for applications in electronics and optoelectronics. As the main theme in this dissertation, the following work represents different investigations of various electronic properties associated with phosphorene. Most notable are the findings on charge transfer doping with metal-chalcogenide superatoms which displays novel control of the two most important properties of a semiconductor – the band gap energy and the nature of carriers. By tuning the width of the gap and p-/n-type character of conduction, we gain control over a material’s capacity to play a certain role …

Innovations In Drop Shape Analysis Using Deep Learning And Solving The Young-Laplace Equation For An Axisymmetric Pendant Drop, Andres P. Hyer

Theses and Dissertations

Axisymmetric Drop Shape Analysis (ADSA) is a technique commonly used to determine surface or interfacial tension. Applications of traditional ASDA methods to process analytical technologies are limited by computational speed and image quality. Here, we address these limitations using a novel machine learning approach to analysis. With a convolutional neural network (CNN), we were able to achieve an experimental fit precision of (+/-) 0.122 mN/m in predicting the surface tension of drop images at a rate of 1.5 ms^-1 versus 7.7 s^-1, which is more than 5,000 times faster than the traditional method. The results are validated on real images …

Mechanisms Of Emulsion Destabilization: An Investigation Of Surfactant, Stabilizer, And Detergent Based Formulations Using Diffusing Wave Spectroscopy, Jordan N. Nowaczyk

Theses and Dissertations

Conventional approaches for studying emulsions, such as microscopy and macroscopic phase tracking, present challenges when it comes to establishing detailed mechanistic descriptions of the impact of emulsifier and stabilizer additives. Additionally, while a combination of sizing methods and macroscopic phase tracking can provide insights into droplet size changes and concentration, the use of multiple measurements can be cumbersome and error-prone. It is the focus of this work, to present a new method for studying water in oil (W/O) emulsions that involves using diffusing wave spectroscopy (DWS) to examine the impact of three different surface stabilizing additives at varying concentrations. By …

Strong Homotopy Lie Algebras And Hypergraphs, Samuel J. Bevins, Marco Aldi

Undergraduate Research Posters

We study hypergraphs by attaching a nilpotent strong homotopy Lie algebra. We especially focus on hypergraph theoretic information that is encoded in the cohomology of the resulting strong homotopy Lie algebra.

Comparative Investigation Of Structure And Operating Parameters On The Performance And Reaction Dynamic Of Co Conversion On Silica Aerogel And Fumed-Silica-Supported Pd Catalysts, Rola Mohammad Al Soubaihi, Khaled M. Saoud, Joydeep Dutta

VCUQatar Publications

The catalyst morphology, metal-support interaction, and reaction conditions greatly influence the catalytic performance and reaction dynamics. Similarly, the dispersion of the metal within the support plays a crucial role in the thermal stability and sintering of the catalyst. Furthermore, temperature-dependent conversion hysteresis is well-known to occur during ignition and extinction of exothermic CO oxidation over supported Pd catalysts due to the variation of CO adsorption on the surface or bulk oxidation of Pd and the ability of the catalyst to regenerate the active sites. Herein, the catalytic performance and the hysteresis behavior of mesoporous silica aerogel supported Pd (Pd/a-SiO2), and …

Multi-Modality Automatic Lung Tumor Segmentation Method Using Deep Learning And Radiomics, Siqiu Wang

Theses and Dissertations

Delineation of the tumor volume is the initial and fundamental step in the radiotherapy planning process. The current clinical practice of manual delineation is time-consuming and suffers from observer variability. This work seeks to develop an effective automatic framework to produce clinically usable lung tumor segmentations. First, to facilitate the development and validation of our methodology, an expansive database of planning CTs, diagnostic PETs, and manual tumor segmentations was curated, and an image registration and preprocessing pipeline was established. Then a deep learning neural network was constructed and optimized to utilize dual-modality PET and CT images for lung tumor segmentation. …

Direction Modulated Brachytherapy For The Treatment Of Cervical Cancer, Dylan Richeson

Theses and Dissertations

Purpose: To evaluate and compare the performance of 9 experimental DMBT tandem models of varying physical dimensions in relation to 24 previously planned HDR cervical cancer treatment plans from multiple institutions that used conventional tandem and rings or ovoid applicators.

Methods and Materials: The DMBT tandem is designed to be used concurrently with IGABT and is made from an MRI-compatible tungsten-alloy rod with 6 channels grooved out of its periphery. 9 experimental DMBT tandem prototypes were provided. Each of the models was of equal lengths but varied in thickness, channel diameter size, and circle channel diameter size. Replanning …

Periodic Trends In The Infrared And Optical Absorption Spectra Of Metal Chalcogenide Clusters, Alain Ward

Theses and Dissertations

We have investigated the Optical absorption, Infrared spectra, Binding Energies, and various other cluster properties to determine the existence of periodic trend for Transition Metal Chalcogenide Clusters ligated with CO ligands. We were motivated to answer the question of whether periodic behavior can be observed in properties of octahedral metal-chalcogenide clusters. We have used the Amsterdam Density Functional code to calculate the electronic structure of Transition Metal Chalcogenide Clusters using gradient-corrected density functional theory. We determined the existence of several periodic trends in properties of octahedral Transition Metal Chalcogenide Clusters TM₆Se₈(CO)₆. To investigate these …

Development Of Novel Intracavitary Intensity Modulated Brachytherapy Applicators For Optimizing The Target Coverage In Gynecologic Malignancies, Monte Carlo Simulation Dosimetry, Moeen Meftahi

Theses and Dissertations

Gynecologic brachytherapy (GYN-BT) is essential for treating cervical and endometrial cancers, the most prevalent female reproductive cancers. This technique enables high radiation doses to a target with rapid dose fall-off to protect adjacent healthy organs. This dissertation aims to address some of the limitations of intracavitary GYN-BT using an intensity modulated brachytherapy (IMBT) technique and Monte Carlo (MC) simulations.

First, a novel non-invasive shielded vaginal cylinder (VC) applicator was designed to provide optimized radiation coverage for the target volume at vaginal apex, site of most recurrences without BT, for endometrial cancer BT. Physical limitations of current applicators and their resulting …

Fabrication Of Metal-Silicon Nanostructures By Reactive Laser Ablation In Liquid, Eric J. Broadhead

Theses and Dissertations

Metal-silicon nanostructures are a growing area of research due to their applications in multiple fields such as biosensing and catalysis. In addition, silicon can provide strong support effects to metal nanoparticles while being more cost effective than traditionally used supports, like titania. Traditional wet-chemical methods are capable of synthesizing metal-silicon nanostructures with a variety of composition and nanoparticle shapes, but they often require high temperatures, toxic solvents, strong reducing agents, or need capping agents added to stabilize the nanoparticles. Laser processing is an emerging technique capable of synthesizing metal-silicon composite surfaces that offers a faster, simpler, and greener synthesis route …

Nebulizer-Based Systems To Improve Pharmaceutical Aerosol Delivery To The Lungs, Benjamin M. Spence

Theses and Dissertations

Combining vibrating mesh nebulizers with additional new technologies leads to substantial improvements in pharmaceutical aerosol delivery to the lungs across therapeutic administration methods. In this dissertation, streamlined components, aerosol administration synchronization, and/or Excipient Enhanced Growth (EEG) technologies were utilized to develop and test several novel devices and aerosol delivery systems. The first focus of this work was to improve the poor delivery efficiency, e.g., 3.6% of nominal dose (Dugernier et al. 2017), of aerosolized medication administration to adult human subjects concurrent with high flow nasal cannula (HFNC) therapy, a form of continuous-flow non-invasive ventilation (NIV). The developed Low-Volume Mixer-Heater (LVMH) …

Equations Of State For Warm Dense Carbon From Quantum Espresso, Derek J. Schauss

Theses and Dissertations

Warm dense plasma is the matter that exists, roughly, in the range of 10,000 to 10,000,000 Kelvin and has solid-like densities, typically between 0.1 and 10 grams per centimeter. Warm dense fluids like hydrogen, helium, and carbon are believed to make up the interiors of many planets, white dwarfs, and other stars in our universe. The existence of warm dense matter (WDM) on Earth, however, is very rare, as it can only be created with high-energy sources like a nuclear explosion. In such an event, theoretical and computational models that accurately predict the response of certain materials are thus very …

Ligand Effects On Electronic, Magnetic, And Catalytic Properties Of Clusters And Cluster Assemblies, Dinesh Bista 9288522

Theses and Dissertations

Ligands commonly protect metallic clusters against reacting with outside reactants. However, ligands can also be used to control the redox properties enabling the formation of super donors/acceptors that can donate/accept multiple electrons. This thesis focuses on how the ligands can be used to control the electronic and magnetic features of clusters and ligand stabilized cluster-based assemblies, leading to nano pn junctions with directed transport, the possibility of light-harvesting, and catalysts for cross-coupling reactions. The thesis addresses three distinct classes of clusters and their applications. The first class of cluster “metal chalcogen clusters” is the central idea of the thesis focused …

Live Cell Biomass Tracking For Basic, Translational, And Clinical Research, Graeme Murray

Theses and Dissertations

Single cell mass is tightly regulated throughout generations and the cell cycle, making it an important marker of cell health. Abnormal changes in cell size can be the first indication of dysfunction in response to environmental stimuli such as cytotoxic drugs. Described here is the further development of high-speed live cell interferometry (HSLCI) to concurrently measure the changes in single cell mass of thousands of cells over time. Critically, the high-throughput nature of HSLCI provides realistic pictures of tumor heterogeneity. This throughput enabled HSLCI to correctly predict in vivo carboplatin sensitivity of three triple negative breast cancer patient derived xenografts, …

Parameter Identifiability And Estimation In A 1d Cardiovascular Fluid Dynamics Model, Mitchel J. Colebank

Biology and Medicine Through Mathematics Conference

No abstract provided.

Emergence, Mechanics, And Development: How Behavior And Geometry Underlie Cowrie Seashell Form, Michael G. Levy, Michael R. Deweese

Biology and Medicine Through Mathematics Conference

No abstract provided.

Parameter Estimation For Tear Film Thinning, Rayanne Luke

Biology and Medicine Through Mathematics Conference

No abstract provided.

The Design Of A New Vaginal Applicator For Direction Modulated Brachytherapy (Dmbt) Using Geant4 Monte Carlo Simulation Code, Moeen Meftahi

Theses and Dissertations

Purpose: Anisotropy of the 192Ir source causes a lack of dose coverage at the apex in HDR vaginal cylinder brachytherapy (VC BT). In this study, we took advantage of the GEANT4 Monte Carlo (MC) simulation code to design a new DMBT vaginal applicator so that it maintains the dose coverage of the current vaginal cylinder at periphery everywhere while improving the apex coverage. In addition, since current treatment planning systems (TPS) considers the whole environment as water according to TG43 formalism, based on the capability of the MC in the calculation of dose in the material, the effect of inhomogeneity …

Electric Field Control Of Fixed Magnetic Skyrmions For Energy Efficient Nanomagnetic Memory, Dhritiman Bhattacharya

Theses and Dissertations

To meet the ever-growing demand of faster and smaller computers, increasing number of transistors are needed in the same chip area. Unfortunately, Silicon based transistors have almost reached their miniaturization limits mainly due to excessive heat generation. Nanomagnetic devices are one of the most promising alternatives of CMOS. In nanomagnetic devices, electron spin, instead of charge, is the information carrier. Hence, these devices are non-volatile: information can be stored in these devices without needing any external power which could enable computing architectures beyond traditional von-Neumann computing. Additionally, these devices are also expected to be more energy efficient than CMOS devices …

Sparsity And Weak Supervision In Quantum Machine Learning, Seyran Saeedi

Theses and Dissertations

Quantum computing is an interdisciplinary field at the intersection of computer science, mathematics, and physics that studies information processing tasks on a quantum computer. A quantum computer is a device whose operations are governed by the laws of quantum mechanics. As building quantum computers is nearing the era of commercialization and quantum supremacy, it is essential to think of potential applications that we might benefit from. Among many applications of quantum computation, one of the emerging fields is quantum machine learning. We focus on predictive models for binary classification and variants of Support Vector Machines that we expect to be …

Verification Of The Vertical Bubble Flow Experiments, Reginald Jones Ii

Theses and Dissertations

Detailed experimental design to support basic pedagogy of flow regimes – single phase liquid, bubbly, slug, annular, dispersed droplet, and single phase vapor – occurring in flow channels of nuclear reactors has been developed for EGMN 203 - Nuclear Engineering Practicum offering at Virginia Commonwealth University’s Department of Mechanical and Nuclear Engineering. The laboratory instruction will be used to help students forming ideas and understanding flow regimes occurring in nuclear engineering applications. We designed and constructed four water columns to act as surrogates for water channels in a nuclear reactor. Each column was used for a different experiment: salted versus …

Application Of Optical Trapping To Obtain Single-Source Str Profiles From Forensically Relevant Body Fluid Mixtures With Modified Dna Analysis Workflow, Benjamin J. O'Brien

Master of Science in Forensic Science Directed Research Projects

Current methods of mixture separation in forensic DNA laboratories typically deconvolute the mixture after analysis using statistical analysis or probabilistic genotyping. To save time and effort of labs already backlogged, a method to separate mixtures on a cellular level before analysis needs to be developed. Optical trapping is a method that uses a focused 1064 nm laser to manipulate cells. Previous research has shown that approximately 50 spermatozoa or 15 leukocytes from a liquid sample are required to produce a full STR DNA profile. It was found that the number of spermatozoa required remains constant when the method of sample …

The Structure And Stability Of Cationic Metal-Benzene Clusters, Daniel P. Rabayda

Theses and Dissertations

We have investigated the size-dependent stability and structure of benzene, aluminum-benzene, and vanadium-benzene clusters. Motivated by gas-phase experimental studies performed by an experimental collaborator, we have used first-principle electronic structure methods to identify the structure of Al⁺(Bz)_n, V⁺(Bz)_n, and Bz_n clusters. Our studies reveal that cationic aluminum-benzene clusters have a magic number of 13, and that its high stability may be understood by analyzing the structure of the cluster. We also investigate the structure of vanadium-benzene clusters which have a magic number of 2. Here I examine the benzene-cation and benzene-benzene …

An Introduction To Supersymmetric Quantum Mechanics, Vincent R. Siggia

Theses and Dissertations

In this thesis, the general framework of supersymmetric quantum mechanics and the path integral approach will be presented (as well as the worked out example of the supersymmetric harmonic oscillator). Then the theory will be specialized to the case of supersymmetric quantum mechanics on Riemannian manifolds, which will start from a supersymmetric Lagrangian for the general case and the special case for S2. Afterwards, there will be a discussion on the superfield formalism. Concluding this thesis will be the Hamiltonian formalism followed by the inclusion of deforma- tions by potentials.

Straintronic Nanomagnetic Devices For Non-Boolean Computing, Md Ahsanul Abeed

Theses and Dissertations

Nanomagnetic devices have been projected as an alternative to transistor-based switching devices due to their non-volatility and potentially superior energy-efficiency. The energy efficiency is enhanced by the use of straintronics which involves the application of a voltage to a piezoelectric layer to generate a strain which is ultimately transferred to an elastically coupled magnetostrictive nanomaget, causing magnetization rotation. The low energy dissipation and non-volatility characteristics make straintronic nanomagnets very attractive for both Boolean and non-Boolean computing applications. There was relatively little research on straintronic switching in devices built with real nanomagnets that invariably have defects and imperfections, or their adaptation …

Monitoring Software And Charged Particle Identification For The Clas12 Detector, William A. Oliver

Theses and Dissertations

The CEBAF Large Acceptance Spectrometer for the 12 GeV era, known as CLAS12, uses the time of flight (TOF) system to identify charged particles from scattering events between the beam and target. The TOF system is divided into two parts: The Forward time of flight system, and the Central time of flight system. These two sub-systems subtend different polar angles of the detector geometry for wide acceptance of scattered particles. Reconstruction is the service used to identify particles from the interactions between the beam and target, called as a vertex or the point where the interaction occurs. The vertex position …

Adhesion At Solid/Liquid Interfaces, Neda Ojaghlou

Theses and Dissertations

The adhesion at solid/liquid interface plays a fundamental role in diverse fields and helps explain the structure and physical properties of interfaces, at the atomic scale, for example in catalysis, crystal growth, lubrication, electrochemistry, colloidal system, and in many biological reactions. Unraveling the atomic structure at the solid/liquid interface is, therefore, one of the major challenges facing the surface science today to understand the physical processes in the phenomena such as surface coating, self-cleaning, and oil recovery applications. In this thesis, a variety of theory/computational methods in statistical physics and statistical mechanics are used to improve understanding of water adhesion …

Theoretical Studies Of The Structure And Stability Of Metal Chalcogenide Crntem (1≤N≤6, 1≤M≤8) Clusters, Fnu Sweta Prabha

Theses and Dissertations

In the presented work, first principle studies on electronic structure, stability, and magnetic properties of metal chalcogenide, Cr_nTe_m clusters have been carried out within a density functional framework using generalized gradient functions to incorporate the exchange and correlation effects. The energetic and electronic stability was investigated, and it was found that they are not always correlated as seen in the cluster Cr₆Te₈ which has smaller gap between its HOMO (Highest Occupied Molecular Orbital) and LUMO (Lowest Unoccupied Molecular Orbital) and a high electron affinity of 3.39 eV indicating lower electronic stability whereas higher fragmentation …

Searching For Clean Observables In $B -> D* /Tau- \Bar{\Nu}_{\Tau}$ Decays, Michael D. Williams Jr.

Theses and Dissertations

In this thesis, the clean angular observables in the $\bar{B} \to D^{*+} \ell^- \bar{\nu}_{\ell}$ angular distribution is studied. Similar angular observables are widely studied in $B \to K^* \mu^+ \mu^-$ decays. We believed that these angular observables may have different sensitivities to different new physics structures.

Optimizing Gas Mixture Composition For The Rtpc Detector For Bonus 12 At Jefferson Lab., Joshua H. Lehman

Theses and Dissertations

The main objective of this thesis is to perform a study of and optimize the most direct and practical gas mixture composition inside the Radial Time Projection Chamber for the Barely-Offshell Nucleon Structure (BONuS 12) detector for use in the CLAS 12 detector in Experimental Hall B at Thomas Jefferson National Accelerator Facility (JLab). The optimization of these conditions will enhance the performance and resolution of the detector. The original BONuS 6 experiment utilized a gas composition of 80 % He and 20% Dimethyl Ether (DME). With the extensive 12 GeV energy upgrade constructed at JLab and the new BONuS …