Nuclear Commons^™

Quantum Scattering Of Hc5n And Para-H2 On A New Potential Energy Surface, Shan Gao, François Lique, Ernesto Quintas-Sánchez, Richard Dawes, Jérôme Loreau

Chemistry Faculty Research & Creative Works

In the interstellar medium (ISM), non-local thermodynamic equilibrium situations are common due to low density, and one needs to consider the effect of molecular collisions in order to interpret the observations. Among the species detected in the ISM, cyanopolyynes, with the general molecular formula HC_2n+1N (n = 1, 2, …), are characterized by large dipole moments and small rotational constants and constitute an indispensable class of candidates for the sensitive tracers of local density and temperature. We present a study of the collisional (de-) excitation of HC₅N by para-H₂ (p-H₂) in its ground …

Long-Range Fit: A Software Package For The Representation And Study Of Long-Range Molecular Interactions, Adrian L. Batista-Planas, Ernesto Quintas-Sánchez, Richard Dawes

Chemistry Faculty Research & Creative Works

Describing intermolecular forces is fundamental to modeling and predicting the behavior of molecular systems. In particular, long-range molecular interactions with electrostatic, induction, and dispersion as the main components play a critical role, especially for low-temperature and low-density regimes. Long-range interactions are often described through perturbation theory, representing the electronic charge distribution via a multipolar series of the moments and polarizability tensors corresponding to each molecule. However, while the theory is well established, obtaining the resulting analytical expressions (and their practical implementation) constitutes a highly complex and system-dependent task. To address this challenge, we developed long-range-fit (LRF), an interactive and user-friendly …

Collisional Excitation Of Hcn By Co To Refine The Modeling Of Cometary Comae, Francesca Tonolo, Ernesto Quintas-Sánchez, Adrian Batista-Planas, Richard Dawes, François Lique

Chemistry Faculty Research & Creative Works

We present the first dataset of collisional (de)-excitation rate coefficients of HCN induced by CO, one of the main perturbing gases in cometary atmospheres. The dataset spans the temperature range of 5–50 K. It includes both state-to-state rate coefficients involving the lowest ten and nine rotational levels of HCN and CO, respectively, and the so-called "thermalized" rate coefficients over the rotational population of CO at each kinetic temperature. The derivation of these coefficients exploited the good performance of the statistical adiabatic channel model (SACM) on top of an accurate interaction potential computed at the CCSD(T)-F12b/CBS level of theory. The reliability …

A Promising Statistical Approach For Studying The Collisional Excitation Induced By Co: Application To The Cs-Co System, Amélie Godard Palluet, Richard Dawes, Ernesto Quintas-Sánchez, Adrian Batista-Planas, François Lique

Chemistry Faculty Research & Creative Works

The calculations of rate coefficients for the interpretation of molecular spectra are a recognized computationally expensive task. This is particularly true for media like comets, where the dominant species (CO, CO₂, and H₂O) have relatively high masses. Currently, no clear methodology exists to treat the collisional excitation of heavy species at low temperatures, thus limiting the number of collisional studies on such species. We present here a promising statistical approach to determine collisional rate coefficients of heavy systems as an alternative to fully quantum calculations when heavy projectiles such as CO are considered. This is illustrated …

Particle Swarm Optimization For Critical Experiment Design, Cole Michael Kostelac

Masters Theses

“Critical experiments are used by nuclear data evaluators and criticality safety engineers to validate nuclear data and computational methods. Many of these experiments are designed to maximize the sensitivity to a certain nuclide-reaction pair in an energy range of interest. Traditionally, a parameter sweep is conducted over a set of experimental variables to find a configuration that is critical and maximally sensitive. As additional variables are added, the total number of configurations increases exponentially and quickly becomes prohibitively computationally expensive to calculate, especially using Monte Carlo methods.

This work presents the development of a particle swarm optimization algorithm to design …

Characterization Of Neutron Irradiated Accident Tolerant Nuclear Fuel Cladding Silicon Carbide & Radiation Detector Deadtime, Bader Almutairi

Doctoral Dissertations

“In part I, the pulse shape characteristics generated by a Geiger Muller (GM) detector and recorded by an oscilloscope manually, were investigated. The objective of part I was (1) to find a correlation between pulse shape and the operating voltage; and (2) to assess if pulse shape properties followed distinct patterns comparable to detector deadtime findings reported by a previous study. It was observed that (1) there is a strong correlation between pulse shape and operating voltage, and (2) pulse shape falls in three distinct regions similar to detector deadtime. Furthermore, parts II and III are companions and share the …

Development Of A Switchable Radioisotope Generator, Kyle Mitchell Paaren

Doctoral Dissertations

The Switchable Radioisotope Generator utilizes alpha-induced reactions to produce a combination of photons, neutrons, and protons with varying fluxes dependent on target materials and source geometry. The activity/strength of the secondary radiation is further controlled by manipulating the number of alpha particles that can interact with the target material(s). Analytical equations were solved to confirm secondary radiation production from target materials using average cross sections from TENDL data. TENDL and JENDL data was confirmed by analytically solving for the total alpha-induced cross sections. This information was used to produce the provisional and utility Patent No: US20190013109A1. TENDL data was then …

Applications Of Machine Learning In Nuclear Imaging And Radiation Detection, Shaikat Mahmood Galib

Doctoral Dissertations

"The main focus of this work is to use machine learning and data mining techniques to address some challenging problems that arise from nuclear data. Specifically, two problem areas are discussed: nuclear imaging and radiation detection. The techniques to approach these problems are primarily based on a variant of Artificial Neural Network (ANN) called Convolutional Neural Network (CNN), which is one of the most popular forms of 'deep learning' technique.

The first problem is about interpreting and analyzing 3D medical radiation images automatically. A method is developed to identify and quantify deformable image registration (DIR) errors from lung CT scans …

Customized Multi-Group Cross Section Generation With Njoy For Discrete Ordinates Computed Tomography And Radiography Simulation, Steven Michael Wagstaff

Masters Theses

"The purpose of this work was to explore the creation of photoatomic multi-group cross section libraries to be used with a software package DOCTORS (Discrete Ordinates Computed TOmography and Radiography Simulator). This software solves the linear Boltzmann equation using the discrete ordinates method [1]. To create these libraries, NJOY2016 was used, creating both fine and broad energy multi-group cross section files. The cross section's accuracy was tested against an equivalent Monte Carlo simulation using MCNP6.

Two simulation geometries were used. The first, a cylindrical water phantom with a single source projection placed in front, simulating an X-ray radiography. The second …

Modulated Photothermal Radiometry: Detector Sensitivity Study And Experimental Setup, Jessica Nicole Seals

Masters Theses

"This thesis outlines the development of a system used for determining the surface thermal diffusivity of both non-irradiated and irradiated materials. The motivation for this work is to establish a modulated photothermal radiometry (PTR) system on the campus of Missouri University of Science and Technology. One of the main efforts described in this thesis is the design and construction of the physical apparatus. Along the way, it was necessary to perform a detailed sensitivity analysis of the system to determine whether the expected signal emitted from the sample falls within the bounds of detectivity for the HgCdTe (MCT) detector used …

Characterization Of The Cylinderical Split Internal-Loop Photobioreactor With Scenedesmus Microalgae: Advanced Culturing, Modeling, And Hydrodynamics, Laith S. Sabri

Doctoral Dissertations

"Microalgae are fast growing photoynthetic microorganisms and it have very wide range of industrial applications such as biofuels and wastewater treatment. These cells can be grown in a wide variety of systems ranging from open culture systems (e.g., ponds) to closed culture systems of photobioreactor (e.g., airlift). The open culture systems exist in the external environment, and hence, are not intrinsically controllable. However, the microalgae production in enclosed photobioreactors faces prohibitively high production costs with special difficulty in reactor design and scale-up. The light availability and utilization efficiency in the photobioreactor in terms of design and scale-up consider as the …

Correlation Between Delay Time And Measured Concentration And Concentration Uncertainty By Neutron Activation Analysis, James Thomas Seman

Doctoral Dissertations

"For the last several decades, it has been apparent that new methods of identifying explosives can help investigators trace their origins. One way to identify an explosive is through the use of taggants: materials added to a product that encodes information about the product such as when it was manufactured.

This research investigates the survivability of a new identification taggant called the Nuclear Barcode that overcomes some of the downfalls that have been identified in prior taggants. The Nuclear Barcode encodes information as a unique combination of concentrations of rare earths (Ho, Eu, Sm, Lu, and Dy) and precious metals …

Design And Characterization Of Multi-Spectral Underwater Beam-Port For Pool-Type Research Reactors, Meshari Mesfer Alqahtani

Doctoral Dissertations

“The beam-port is a cardinal facility at research reactors necessary for dry irradiation, testing and measurement experiments. The Missouri University of Science and Technology Reactor (MSTR) is one such reactor with a beam-port. Installation of additional beam-port in such reactor facilities can be prohibitive. A novel remedy to this is an underwater beam-port for pool-type reactors. The design and characterization of a conceptual underwater multi-spectral beam-port for neutron and gamma fluxes were completed for the MSTR. The neutron spectra from the MSTR were simulated using the Monte Carlo N-particle (MCNP). The determined neutron spectra were experimentally validated using SAND-II. The …

A Study Of The Potential Applications Of Am241, And Determining The Feasibility Of Using Gamma Spectroscopy For Future Physical Validation, Eric A. Feissle

Masters Theses

“Am241 is typically produced via Pu241 decay in a uranium fueled reactor. Presence of Am241 can be used as the age estimation tool for spent fuel, which is a focus of this thesis along with the interest of the measurement and the ratio of production rates of Am241’s activation products; Americium-242 and its first excited state of Americium-242m. MCNP models of the core and BEGe 3825 detector were built. These models were compared with established and physical measurements of gamma/x-ray standards that were available at the reactor. Thermal fluxes at 200 kW for potential foils centered in the source holder …

Attenuation Properties Of Cement Composites: Experimental Measurements And Monte Carlo Calculations, Raul Florez

Masters Theses

"Developing new cement based materials with excellent mechanical and attenuation properties is critically important for both medical and nuclear power industries. Concrete continues to be the primary choice material for the shielding of gamma and neutron radiation in facilities such as nuclear reactors, nuclear waste repositories, spent nuclear fuel pools, heavy particle radiotherapy rooms, particles accelerators, among others. The purpose of this research was to manufacture cement pastes modified with magnetite and samarium oxide and evaluate the feasibility of utilizing them for shielding of gamma and neutron radiation. Two different experiments were conducted to accomplish these goals. In the first …