Digital Commons Network^™

Simulating Chemiluminescence Spectra Of Oh Radical Using Quantum Dynamical Simulations, Triet M. Cao

Research from the Berry Summer Thesis Institute, 2025

Chemiluminescence is a phenomenon of light emission that occurs when molecules transition from an excited state to the ground state. This phenomenon is widely utilized in applications ranging from quantifying product yields in chemical reactions to biological imaging and atmospheric chemistry studies. It has also been used in many crucial applications in the scarce conditions of heat and electricity, such as light sources for astronomy discovery or deep-sea diving. A notable example of such reactions is combustion, where highly reactive hydroxyl radicals (OH) are products. These radicals exhibit a chemiluminescence spectrum because of the interaction between their ground state and …

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 …

A Computational Kinetics Model To Quantify Radiation Induced Chemical Products Of Atmospheric Gas Mixtures, Patrick Ables

Dissertations

This research is focused on the development of a computational model which will calculate the effects of radiation on the chemical composition of the atmosphere. The approach utilizes the open-source chemical kinetics toolkit Cantera to model the creation of radiation-induced reactant species within irradiated air mixtures. Chemical solutions are iteratively stepped toward chemical equilibrium within a ‘constantly stirred’ (homogeneous) reactor of fixed volume. Three different radiation chemistry models are implemented in several different pulsed and continuous radiation schemes. The first model includes the mechanisms and rates of a pulse radiation model from the literature to test the validity of the …

Expansion Of An Ultracold Neutral Plasma, Yin Li

Honors Theses

Ultracold neutral plasmas (UNP) exhibit interesting behavior and are more feasible to control than hot plasmas. Physicists would like to lower the temperature of a UNP to achieve a higher Coulomb coupling parameter, Γ for both electrons and ions. However, the three body recombination (TBR) between ions and electrons produces Rydberg atoms and heats up the plasma electrons, thereby ionizing them to Γe < 0.2. Adding Rydberg atoms to the plasma will reduce the temperature of a UNP in certain situations. In this honors project, we tried to achieve a Γe value greater than 0.5 by embedding Rydberg atoms multiple times in the plasma. We did extensive numerical simulations, but we were unable to replicate previous results from another group which obtained Γe = 0.5 in the first 1 µ s of plasma evolution. However, we were able to use the simulation results to test various different experiment scenarios. For experiments, we created a UNP of Rubidium atoms in the magneto-optical trap by laser cooling and photoionization. We figured out a nice way to zero the electric field within the field meshes by looking at the plasma expansion very late in its evolution through the micro-channel plate. We set the voltage and delay on the field mesh bias to find expansion velocity of the plasma for time t > 50 µs, and we used different methods to deduce the expansion velocity from the ion time of flight signals. However, we found that there was no relation of Γe at 1 µ s and the expansion velocity …

Force Field Development With Gomc A Fast New Monte Carlo Molecular Simulation Code, Jason Richard Mick

Wayne State University Dissertations

In this work GOMC (GPU Optimized Monte Carlo) a new fast, flexible, and free molecular Monte Carlo code for the simulation atomistic chemical systems is presented. The results of a large Lennard-Jonesium simulation in the Gibbs ensemble is presented. Force fields developed using the code are also presented. To fit the models a quantitative fitting process is outlined using a scoring function and heat maps. The presented n-6 force fields include force fields for noble gases and branched alkanes. These force fields are shown to be the most accurate LJ or n-6 force fields to date for these compounds, capable …

Non-Conventional Approaches To Syntheses Of Ferromagnetic Nanomaterials, Dustin M. Clifford

Theses and Dissertations

The work of this dissertation is centered on two non-conventional synthetic approaches to ferromagnetic nanomaterials: high-throughput experimentation (HTE) (polyol process) and continuous flow (CF) synthesis (aqueous reduction and the polyol process). HTE was performed to investigate phase control between Fe_xCo_1-x and Co_3-xFe_xO_y. Exploration of synthesis limitations based on magnetic properties was achieved by reproducing M_s=210 emu/g. Morphological control of Fe_xCo_1-x alloy was achieved by formation of linear chains using an H_ext. The final study of the Fe_xCo_1-x chains used DoE to …

Sublattice-Induced Symmetry Breaking And Bandgap Formation In Graphene, Ralph A. Skomski, Peter A. Dowben, M Sky Driver, Jeffery A. Kelber

Peter Dowben Publications

A reduction of symmetry from C_6v to C_3v leads to the opening of a band gap in the otherwise gapless semiconductor graphene. Simple models provide a fairly complete picture of this mechanism for opening a band gap and in fact can be discussed in terms of the tight-binding approximation, accurately resolving the wave-vector space to a very high accuracy. This picture is consistent with experiments that yield a band gap due to A and B graphene-site symmetry breaking due to substrate interactions.

Where Does The Water Come From? A Temporal Geochemical Characterization Of Water Sources In The Lives Of Storms, Mallory Ringham

Renée Crown University Honors Thesis Projects - All

An analysis of the ion chemistry, δ¹⁸O, and δ²H values of precipitation may allow for the characterization of their water sources. As water evaporates, it retains a signature of its source in the ions that it carries and in the amount of fractionation of the oxygen and hydrogen isotopes. Precipitation samples for coastal, lake effect, and continental sources were collected over the months of October- January in Syracuse, New York throughout the duration of each storm, including one hurricane, one thunderstorm, two lake effect snowstorms, and seven rain events. These samples were run through IC, ICP-OES, …

Impact Of Interdisciplinary Undergraduate Research In Mathematics And Biology On The Development Of A New Course Integrating Five Stem Disciplines, Lester Caudill, April L. Hill, Kathy Hoke, Ovidiu Z. Lipan

Department of Math & Statistics Faculty Publications

Funded by innovative programs at the National Science Foundation and the Howard Hughes Medical Institute, University of Richmond faculty in biology, chemistry, mathematics, physics, and computer science teamed up to offer first- and second-year students the opportunity to contribute to vibrant, interdisciplinary research projects. The result was not only good science but also good science that motivated and informed course development. Here, we describe four recent undergraduate research projects involving students and faculty in biology, physics, mathematics, and computer science and how each contributed in significant ways to the conception and implementation of our new Integrated Quantitative Science course, a …

Impact Of Interdisciplinary Undergraduate Research In Mathematics And Biology On The Development Of A New Course Integrating Five Stem Disciplines, Lester Caudill, April L. Hill, Kathy Hoke, Ovidiu Z. Lipan

Biology Faculty Publications

Funded by innovative programs at the National Science Foundation and the Howard Hughes Medical Institute, University of Richmond faculty in biology, chemistry, mathematics, physics, and computer science teamed up to offer first- and second-year students the opportunity to contribute to vibrant, interdisciplinary research projects. The result was not only good science but also good science that motivated and informed course development. Here, we describe four recent undergraduate research projects involving students and faculty in biology, physics, mathematics, and computer science and how each contributed in significant ways to the conception and implementation of our new Integrated Quantitative Science course, a …

Solution-Based Synthesis Of Nitride Fuels, Kenneth Czerwinski, Thomas Hartmann

Fuels Campaign (TRP)

A wide variety of fuel concepts are considered for advanced reactor technology including metals, metal oxides or metal nitrides as solid solutions or composite materials. Nitride fuels have appropriate properties for advanced fuels including high thermal conductivity, thermal stability, solid-state solubility of actinides, fissile metal density, and suitable neutronic properties. A drawback of nitride fuels involves their synthesis. A key parameter for preparing oxide fuels is the precipitation step in the sol-gel process. For nitride fuels, the current synthetic route is carbothermic reduction from the oxide to the nitride. This process step is based on solid phase reactions and for …

Afci Quarterly Input – Unlv October 1 Through December 31, 2005, Harry Reid Center For Environmental Studies. Nuclear Science And Technology Division

Transmutation Research Program Reports (TRP)

Quarterly report highlighting research projects, activities and objectives of the Transmutation Research Program at the Nuclear Science & Technology Division, Harry Reid Research Center.

The University of Nevada, Las Vegas supports the AFCI through research and development of technologies for economic and environmentally sound refinement of spent nuclear fuel. The UNLV program has four components: infrastructure, international collaboration, student-based research, and management and program support.

Spatiotemporal Distribution Of Marine Magnetotactic Bacteria In A Seasonally Stratified Coastal Salt Pond, S. L. Simmons, S. M. Sievert, Richard B. Frankel, Dennis A. Bazylinski, K. J. Edwards

Physics

The occurrence and distribution of magnetotactic bacteria (MB) were studied as a function of the physical and chemical conditions in meromictic Salt Pond, Falmouth, Mass., throughout summer 2002. Three dominant MB morphotypes were observed to occur within the chemocline. Small microaerophilic magnetite-producing cocci were present at the top of the chemocline, while a greigite-producing packet-forming bacterium occurred at the base of the chemocline. The distributions of these groups displayed sharp changes in abundance over small length scales within the water column as well as strong seasonal fluctuations in population abundance. We identified a novel, greigite-producing rod in the sulfidic hypolimnion …

8 Miles And A Couple Of Antiparticles To Bridgewater State College, Edward Deveney

Bridgewater Review

No abstract provided.

The Fricke Dosimeter As A 1-Hit Detector, Robert Katz, G. L. Sinclair, M. P. R. Waligorski

Robert Katz Publications

A fit to the experimental data for the response of the Fricke dosimeter to energetic heavy ions is obtained using a calculation of the relative effectiveness of a 1-hit detector, from track theory. We use 2 fitted parameters, the target size, a₀, which may be thought to represent a “diffusion length,” and E₀, the dose of gamma-rays at which there is an average of one hit per target (the D-37 dose), and a new algorithm for the average radial distribution of dose in liquid water from the passing ion. The G value for ions is then …

Absolute Specification Of X-Ray Spectra By Laplace Transform Analysis Of Attenuation Data, Gerald Robert Lusk

Masters Theses

"A well characterized, variable plate separation ion chamber was utilized as a detector to collect x-ray attenuation data for generating information on the Laplace transform predicted spectrum of a 50 KvCP conventional x-ray tube. The variable plate separation feature allows one to include a wavelength dependent correction to the detector response which is associated with the hardening of the x-ray spectrum as it traverses the attenuating material. With this correction, the conventional two-term Laplace transform was shown to approximate independently the bremsstrahlung and characteristic L radiation from the tungsten target. The detector provides an absolute statement of the target-referenced x-ray …

Absolute Soft X-Ray Dosimetry For Radiation Chemistry Studies, Howard Sajon Joyner

Masters Theses

"A homogeneous, variable plate separation ion chamber consisting of a polyethylene body and employing flowing ethylene as the cavity gas has been designed and tested for the specification soft x-ray (<75kV) energy deposition in typical hydrocarbons. The variable plate separation feature provided primary data on the differential specific ionization originating within the cavity gas occupying the effective collector volume which is independent of inherent chamber inhomogeneities associated with the electrically conducting films comprizing the chamber electrodes. These data demonstrated that charged particle equilibrium is established within the first few ten thousandths of an inch in typical solid hydrocarbons irradiated with this class of sources. Comparison of this type of chamber with a fixed plate separation, static cavity gas mode of operation showed that the latter may predict dose rates with inherent errors exceeding 100%. With the quality of electronic readout accessories presently available, the variable plate separation chamber yielded dose rate data exhibiting a probable error of 3.8 percent (plus the unknown uncertainty in the literature data on the energy required to form an ion pair), and an ultimate limiting error of less than 2 percent appears feasible"--Abstract, page ii.