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Articles 31 - 60 of 114
Full-Text Articles in Engineering
An Assessment Of The Spatial Variation Of Isotopic Ratios In A Candu-6 Reactor For Nuclear Treaty Monitoring, Aaron W. Burkhardt
An Assessment Of The Spatial Variation Of Isotopic Ratios In A Candu-6 Reactor For Nuclear Treaty Monitoring, Aaron W. Burkhardt
Theses and Dissertations
The Preparatory Commission for the Comprehensive Nuclear Test Ban Treaty Organization developed the International Monitoring System for monitoring for nuclear explosive testing and compliance with nuclear treaties. Many of the International Monitoring System stations are capable of detecting radionuclides that can be used to determine their origin and creation environment. However, there is not a single unique signature associated with each creation environment. Nuclear reactors, for example, can have a wide range of isotopic concentrations caused by spatial variations in neutron flux intensity and energy. As a single sample only provides a single isotopic measurement, this can make disambiguation difficult …
A Machine Learning Approach To Characterizing Particle Morphology In Nuclear Forensics, Daniel A. Gum
A Machine Learning Approach To Characterizing Particle Morphology In Nuclear Forensics, Daniel A. Gum
Theses and Dissertations
A machine learning approach is taken to characterizing a group of synthetic uranium bearing particles. SEM images of these lab-created particles were converted into a binary representation that captured morphological features in accordance with a guide established by Los Alamos National Laboratory. Each particle in the dataset contains an association with chemical creation conditions: processing method, precipitation temperature and pH, calcination temperature are most closely tied to particle morphology. Additionally, trained classifiers are able to relate final products between particles, implying that morphological features are shared between particles with similar composition.
Determination Of Lithium Isotope Concentration By Laser Induced Breakdown Spectroscopy Using Chemometrics, Jason C. Wood
Determination Of Lithium Isotope Concentration By Laser Induced Breakdown Spectroscopy Using Chemometrics, Jason C. Wood
Theses and Dissertations
The role of enriched 6Li in nuclear applications makes the ability to detect and monitor lithium enrichment activity imperative. Detecting levels of enrichment of this isotope currently requires sensitive, complex equipment operated by highly-trained technicians, which is prohibitive to rapid detection of enrichment activity. While commercial companies market portable laser induced breakdown spectroscopy (LIBS) with the ability to detect elements on the order or parts per million concentrations, they have not yet been demonstrated to possess the ability to quantitatively determine isotopic concentrations of lithium. This research performs single-pulse LIBS experiments under laboratory conditions to determine concentrations of 7Li and …
Monte Carlo And Experimental Analysis Of A Novel Directional Rotating Scatter Mask Gamma Detection System, Julie V. Logan, Darren E. Holland, Larry W. Burggraf, Justin A. Clinton, Buckley E. O'Day Iii
Monte Carlo And Experimental Analysis Of A Novel Directional Rotating Scatter Mask Gamma Detection System, Julie V. Logan, Darren E. Holland, Larry W. Burggraf, Justin A. Clinton, Buckley E. O'Day Iii
Faculty Publications
Excerpt: This work demonstrates successful experimental operation of a prototype system to identify source direction which was modeled using a library of signals simulated using GEANT and a novel algorithm....
Possible Detection Of Low Energy Solar Neutrons Using Boron Based Materials, Nicole Benker, Elena Echeverria, Robert Olesen, Brant E. Kananen, John W. Mcclory, Yaroslav V. Burak, Volodymyr T. Adamiv, Ihor M. Teslyuk, George Glenn Peterson, Ben Bradley, Ethiyal R. Wilson, James C. Petrosky, Bin Dong, Jeffry Kelber, Jennifer Hamblin, Jaques Doumani, Peter A. Dowben, Alex Enders
Possible Detection Of Low Energy Solar Neutrons Using Boron Based Materials, Nicole Benker, Elena Echeverria, Robert Olesen, Brant E. Kananen, John W. Mcclory, Yaroslav V. Burak, Volodymyr T. Adamiv, Ihor M. Teslyuk, George Glenn Peterson, Ben Bradley, Ethiyal R. Wilson, James C. Petrosky, Bin Dong, Jeffry Kelber, Jennifer Hamblin, Jaques Doumani, Peter A. Dowben, Alex Enders
Faculty Publications
Solar neutrons have been detected aboard the International Space Station (ISS), using lithium tetraborate and boron carbide detector elements. We find that evidence of a solar neutron flux, as detected in a neutron calorimeter following subtraction of the proton background, with an energy of about 2 to 4 MeV. This solar neutron flux is likely no more than 250 to 375 neutrons cm−2sec−1, with a lower bound of 50–75 neutrons cm−2sec−1 at one au.
Enabling Mobile Neutron Detection Systems With Clyc, Matthew C. Recker
Enabling Mobile Neutron Detection Systems With Clyc, Matthew C. Recker
Theses and Dissertations
Cs2LiYCl6:Ce3+ (CLYC) has the desirable property of being sensitive to both gamma rays and neutrons while producing waveforms suitable for pulse shape discrimination (PSD) to determine which radiation was detected. This dissertation examines the behavior of CLYC to support its further development for mobile and portable applications. First, the feasibility of performing PSD with CLYC and an inexpensive data acquisition system was examined. This system was able to clearly distinguish both events with a figure of merit of 1.42. Next, the performance of a SiPM was compared to a traditional PMT. Analysis showed that the …
Investigations Of Point Defects In Kh2Po4 Crystals Using Ab Initio Quantum Methods, Tabitha E. R. Dodson
Investigations Of Point Defects In Kh2Po4 Crystals Using Ab Initio Quantum Methods, Tabitha E. R. Dodson
Theses and Dissertations
Potassium dihydrogen phosphate (KH2PO4, or commonly called KDP) crystals can be grown to large sizes and are used for many important devices (fast optical switches, frequency conversion, polarization rotation) for high powered lasers. The nonlinear optical material has a wide intrinsic transparency range. Intrinsic point defects are responsible for several short-lived absorption bands in the visible and ultraviolet regions that affect high-power pulsed laser propagation. The primary intrinsic defects have been experimentally detected in KDP using electron paramagnetic resonance (EPR) experiments. The defect models established thus far include (i) self-trapped holes, (ii) oxygen vacancies, and (iii) …
Quantitative Analysis Of Cerium-Gallium Alloys Using A Hand-Held Laser Induced Breakdown Spectroscopy Device, Ashwin P. Rao, Matthew Cook, Howard L. Hall, Michael B. Shattan
Quantitative Analysis Of Cerium-Gallium Alloys Using A Hand-Held Laser Induced Breakdown Spectroscopy Device, Ashwin P. Rao, Matthew Cook, Howard L. Hall, Michael B. Shattan
Faculty Publications
A hand-held laser-induced breakdown spectroscopy device was used to acquire spectral emission data from laser-induced plasmas created on the surface of cerium-gallium alloy samples with Ga concentrations ranging from 0–3 weight percent. Ionic and neutral emission lines of the two constituent elements were then extracted and used to generate calibration curves relating the emission line intensity ratios to the gallium concentration of the alloy. The Ga I 287.4-nm emission line was determined to be superior for the purposes of Ga detection and concentration determination. A limit of detection below 0.25%was achieved using a multivariate regression model of the Ga I …
Point Defects In Lithium Gallate And Gallium Oxide, Christopher A. Lenyk
Point Defects In Lithium Gallate And Gallium Oxide, Christopher A. Lenyk
Theses and Dissertations
Electron paramagnetic resonance (EPR), Fourier-Transform Infrared spectroscopy (FTIR), photoluminescence (PL), thermoluminescence (TL), and wavelength-dependent TL are used to identify and characterize point defects in lithium gallate and β-gallium oxide doped with Mg and Fe acceptor impurities single crystals. EPR investigations of LiGaO2 identify fundamental intrinsic cation defects lithium (V−Li) and gallium (V2−Ga) vacancies. The defects’ principle g values are found through angular dependence studies and atomic-scale models for these new defects are proposed. Thermoluminescence measurements estimate the activation energy of lithium vacancies at Ea = 1.05 eV and gallium vacancies at Ea > 2 …
Development Of A Mixed-Radiation Directional Rotating Scatter Mask Detection System, Bryan V. Egner
Development Of A Mixed-Radiation Directional Rotating Scatter Mask Detection System, Bryan V. Egner
Theses and Dissertations
Previous work demonstrated gamma-ray directional detection through the integration of a radiation detection system and an additively manufactured rotating scatter mask (RSM). This work advances the RSM directional detection system through improvements in the system's design, validation of a new scatter mask, and the novel ability to directionally detect both neutrons and gamma rays, a desirable feature for many nuclear safeguard and counterproliferation applications. The mixed-radiation RSM system developed for this research utilized the Spartan I mask design coupled with a 1" EJ-309 liquid scintillator. A GEome-try ANd Tracking (Geant4) model is developed and quantitatively compared to experimental measurements for …
Nuclear Data Covariance Analysis Of An Energy Tuning Assembly For Simulating Nuclear Weapon Environments, Nicholas J. Quartemont
Nuclear Data Covariance Analysis Of An Energy Tuning Assembly For Simulating Nuclear Weapon Environments, Nicholas J. Quartemont
Theses and Dissertations
An energy tuning assembly was characterized to spectrally shape the National Ignition Facility neutron source to a notional thermonuclear and prompt fission neutron spectrum to approximate a boosted nuclear device. This research performed nuclear data covariance analysis to predict the performance of the energy tuning assembly to create the objective spectrum, assessed anticipated experimental outcomes, and determine the fission products produced in a highly enriched uranium foil in the sample cavity. Nuclear data covariance impacted the neutron fluence energy distribution by a few percent for a large energy range of the neutron fluence. Neutron flux unfolding techniques provided broad spectral …
Evaluation Of Eu:Licaf For Neutron Detection Utilizing Sipms And Portable Electronics, Michael A. Ford, Buckley E. O'Day Iii, John W. Mcclory, Manish K. Sharma, Areg Danagoulian
Evaluation Of Eu:Licaf For Neutron Detection Utilizing Sipms And Portable Electronics, Michael A. Ford, Buckley E. O'Day Iii, John W. Mcclory, Manish K. Sharma, Areg Danagoulian
Faculty Publications
With the increasing cost and decreasing availability of 3He, there have been many efforts to find alternative neutron detection materials. Lithium calcium aluminum fluoride (LiCAF) enriched to 95% 6Li doped with europium was evaluated here as a replacement material for 3He. Wafers 0.5 cm thick, consisting of LiCAF crystals in a rubberized matrix, were embedded with wavelength shifting fibers (WSF) and mated to silicon photo-multipliers (SiPMs) to measure the photon response in a flux of neutrons from a DD neutron generator. Excellent discrimination was realized between neutrons and gammas, and both pulse-height discrimination and pulse-shape analysis were …
Neutron Spectroscopy Using Rubberized Eu:Licaf Wafers, Michael A. Ford
Neutron Spectroscopy Using Rubberized Eu:Licaf Wafers, Michael A. Ford
Theses and Dissertations
With the increasing cost and decreasing availability of 3He, there have been many efforts to find alternative neutron detection materials. Lithium calcium aluminum fluoride (LiCAF) enriched to 95% 6Li doped with europium was evaluated here as a replacement material for 3He, based on the absorption of thermalized neutrons by the 6Li and subsequent energy release of the 6Li(n,t)4He reaction. Wafers 0.5 cm thick, consisting of LiCAF crystals in a rubberized matrix, were embedded with wavelength shifting fibers (WSF) and mated to silicon photo-multipliers (SiPMs) to measure the photon response in a flux of …
Developments In Capture- Γ Libraries For Nonproliferation Applications, A. M. Hurst, R. B. Firestone, B. W. Sleaford, D. L. Bleuel, M. S. Basunia, F. Becvar, T. Belgya, L. A. Bernstein, J. J. Carroll, B. Detwiler, J. E. Escher, C. Genreith, B. L. Goldblum, M. Krticka, A. G. Lerch, David A. Matters, John W. Mcclory, Stephen R. Mchale, Zs. Revay, L. Szentmiklosi, D. Turkoglu, A. Ureche, J. Vulic
Developments In Capture- Γ Libraries For Nonproliferation Applications, A. M. Hurst, R. B. Firestone, B. W. Sleaford, D. L. Bleuel, M. S. Basunia, F. Becvar, T. Belgya, L. A. Bernstein, J. J. Carroll, B. Detwiler, J. E. Escher, C. Genreith, B. L. Goldblum, M. Krticka, A. G. Lerch, David A. Matters, John W. Mcclory, Stephen R. Mchale, Zs. Revay, L. Szentmiklosi, D. Turkoglu, A. Ureche, J. Vulic
Faculty Publications
The neutron-capture reaction is fundamental for identifying and analyzing the γ-ray spectrum from an unknown assembly because it provides unambiguous information on the neutron-absorbing isotopes. Nondestructive-assay applications may exploit this phenomenon passively, for example, in the presence of spontaneous-fission neutrons, or actively where an external neutron source is used as a probe. There are known gaps in the Evaluated Nuclear Data File libraries corresponding to neutron-capture γ-ray data that otherwise limit transport-modeling applications. In this work, we describe how new thermal neutron-capture data are being used to improve information in the neutron-data libraries for isotopes relevant to nonproliferation applications. We …
Reconfigurable Liquid Attenuated Collimator, Larry W. Burggraf, Benjamin R. Kowash, Jack G. M. Fitzgerald
Reconfigurable Liquid Attenuated Collimator, Larry W. Burggraf, Benjamin R. Kowash, Jack G. M. Fitzgerald
AFIT Patents
A reconfigurable radiographic aperture mask collimator apparatus includes a body portion configured to receive an attenuating liquid having a first attenuation value per unit volume. The apparatus further includes a grid portion mated to a face of the body portion and a plurality of passageways each having a cross sectional area and a length. The plurality of passageways is disposed within the grid portion. A plurality of plugs is slidably disposed within the plurality of passageways, and each of the plurality of plugs has a second attenuation value per unit volume less than the first attenuation value. One of the …
Investigation Of 186Re Via Radiative Thermal-Neutron Capture On 185Re, David A. Matters, Andrew G. Lerch, A. M. Hurst, L. Szentmiklosi, J. J. Carroll, B. Detwiler, Zs. Revay, John W. Mcclory, Stephen R. Mchale, R. B. Firestone, B. W. Sleaford, M. Krticka, T. Belgya
Investigation Of 186Re Via Radiative Thermal-Neutron Capture On 185Re, David A. Matters, Andrew G. Lerch, A. M. Hurst, L. Szentmiklosi, J. J. Carroll, B. Detwiler, Zs. Revay, John W. Mcclory, Stephen R. Mchale, R. B. Firestone, B. W. Sleaford, M. Krticka, T. Belgya
Faculty Publications
Partial 𝛾-ray production cross sections and the total radiative thermal-neutron capture cross section for the 185Re(n,𝛾)186Re reaction were measured using the Prompt Gamma Activation Analysis facility at the Budapest Research Reactor with an enriched 185Re target. The 186Re cross sections were standardized using well-known 35Cl(n,𝛾)36Cl cross sections from irradiation of a stoichiometric natReCl3 target. The resulting cross sections for transitions feeding the 186Re ground state from low-lying levels below a cutoff energy of Ec=746keV were combined with a modeled probability of ground-state feeding from levels above E …
Neutron Versus Gamma Radiation Effects On Ytterbium-Doped Optical Fibers, Olivia M. Borman
Neutron Versus Gamma Radiation Effects On Ytterbium-Doped Optical Fibers, Olivia M. Borman
Theses and Dissertations
Multimode ytterbium-doped optical fibers (YDFs) are increasingly utilized in military applications involving fiber lasers and amplifiers. YDFs were irradiated with three different radiation sources (neutron, gamma, and mixed gamma/neutron) in order to determine the independent effects that gamma and neutron radiation have on the fibers. The transmission spectra of the fibers were measured during each irradiation and the spectral shapes and attenuation were compared at similar doses. Comparisons of the spectra showed that gamma radiation results in increased attenuation over the 550-975 nm wavelengths. Fast neutrons were found to contribute to increased attenuation near 500 nm. Neutron radiation also caused …
Radiation Response From A Novel Uo2 Crystal, Stephan A. Varga
Radiation Response From A Novel Uo2 Crystal, Stephan A. Varga
Theses and Dissertations
The radiation response of a novel, single-crystalline UO2 sample was analyzed using several types of radiation. The crystal was exposed to alpha, gamma, and neutron radiation under various environmental conditions and the electronic response of the crystal was measured using a pulse shape discrimination algorithm. The distributions of pulse amplitude (Vmax) and pulse decay times (τ) were used to compare the output. This research revealed that the crystal radiation response is exceptionally sensitive to surface conditions, specifically humidity, which tends to alter the time dependent currents resulting from the radiation interactions. The pulse τ can be made to …
Analysis Of Neutron Effects For Asteroid Disruption, Aaron J. Ferguson
Analysis Of Neutron Effects For Asteroid Disruption, Aaron J. Ferguson
Theses and Dissertations
The use of nuclear weapons is one possible method for disrupting or deflecting an asteroid on a trajectory to impact the earth. A largely unexplored component of weapon yield in a disruption scenario is the impact of the neutron output. The results of MCNP-6 simulations are presented demonstrating the effect that incident neutron energy has on the total energy deposited in an asteroid, including that the efficiency of energy deposition in a material is inversely proportional to the incident neutron energy due to negative Q-value reactions. The effects of material composition on the total energy deposited as well as the …
Neutron Radiation Effects On Ge And Gesn Semiconductors, Christopher T. O'Daniel
Neutron Radiation Effects On Ge And Gesn Semiconductors, Christopher T. O'Daniel
Theses and Dissertations
Two different semiconductor materials received neutron radiation for assessment of radiation damage. The two materials are undoped bulk Ge and epitaxial Ge0.991Sn0.009, which is doped heavily with phosphorous. At room temperature, the Ge sample has direct and indirect bandgaps at 0.78 eV and 0.66 eV, respectively. The Ge0.991Sn0.009 sample has direct and indirect bandgaps at 0.72 eV and 0.63 eV, respectively. Two samples of each material were exposed to research reactor neutrons, delivering a 1 MeV equivalent neutron fluence of 2.52 × 1015 n/cm2. In order to assess the radiation …
Nuclear Forensics Applications Of Principal Component Analysis On Micro X-Ray Fluorescence Images, Sarah T. Castro
Nuclear Forensics Applications Of Principal Component Analysis On Micro X-Ray Fluorescence Images, Sarah T. Castro
Theses and Dissertations
A method is developed for rapid detection and analysis of actinides and correlated materials in nuclear fallout debris using principal component analysis on quantified micro x-ray fluorescence intensity values. This method is then applied to address goals of nuclear forensics. The first implementation is a collaborative effort with the National Institute of Standards and Technology and the Federal Bureau of Investigation Laboratory to produce a standard reference material that is a surrogate for glassy nuclear fallout debris in a modern urban environment. This reference material will enable researchers in the development and validation of nuclear forensics methods. A method for …
Evaluation Of The Visible Infrared Imaging Radiometer Suite (Viirs) Cloud Base Height (Cbh) Pixel-Level Retrieval Algorithm For Single-Layer Water Clouds, Kyle E. Fitch
Theses and Dissertations
Evaluation of the Visible Infrared Imaging Radiometer Suite (VIIRS) Cloud Base Height (CBH) product was accomplished. CBH is an important factor for aviation, but a lack of coverage for ground-based retrieval is a significant limitation. Space-based retrieval is essential; therefore, the VIIRS CBH pixel-level retrieval algorithm was assessed for single-layer water clouds. Accurate (truth) measurements were needed not only for the CBH product, but also for VIIRS cloud optical thickness (COT), effective particle size (EPS), and cloud top height (CTH). Data from Atmospheric Radiation Measurement (ARM) sites were used, with VIIRS-ARM matchups created from June 2013 through October 2015 for …
Applications Of Correlated 2d-Acar And Cdbar Using A Low-Energy Positron Beam, Angelo M. Bonavita
Applications Of Correlated 2d-Acar And Cdbar Using A Low-Energy Positron Beam, Angelo M. Bonavita
Theses and Dissertations
The three-dimensional positron annihilation spectroscopy system (3D-PASS) at the Air Force Institute of Technology (AFIT) correlates coincidence Doppler broadening of annihilation radiation with two-dimensional angular correlation of annihilation radiation measurements using two position-sensitive, high-purity germanium (HPGe) detectors. The low photoelectric cross section of germanium, combined with the limited output of the radioisotope-based positron beam, produced sparse data necessitating careful data extraction. Processing techniques employed to increase 3D-PASS spectra quality include an improved algorithm for determining radiation-interaction position on HPGe double-sided strip detectors, a momentum sampling function based correction scheme and spectra folding informed by crystal symmetries. The 3D nature of …
Differential (P, P′) And (P, D) Cross Sections Of 89Y And 92Zr, Molly A. Wakeling
Differential (P, P′) And (P, D) Cross Sections Of 89Y And 92Zr, Molly A. Wakeling
Theses and Dissertations
Differential cross sections for the (p, p′) and (p, d) reactions on 89Y and 92Zr were measured using a 28.25-MeV proton beam at the 88-inch cyclotron at Lawrence Berkeley National Laboratory. Angular distributions were obtained for the ground state and several excited states of each isotope using silicon detector telescopes over angles 10° to 140° in the reaction plane. These data were obtained by fitting a Gaussian function to each peak in the energy spectra and integrating the number of counts under each peak. These cross sections will be included in nuclear structure models …
Multidimensional Analysis Of Nuclear Detonations, Robert C. Slaughter
Multidimensional Analysis Of Nuclear Detonations, Robert C. Slaughter
Theses and Dissertations
The focus of this research is to develop the methods for 3-dimensional reconstructions and temperature distributions of early time nuclear fireballs. Initial developments have resulted in the first 2-dimensional temperature distribution of a nuclear fireball using digitized film. This same process was then extended to perform the first limb darkening calculations of nuclear fireballs. Limb darkening coefficients were then used to derive a temperature profile of the nuclear fireball as a function of optical path length. A 3-dimensional reconstruction was performed using a variation of a structure from illuminance technique in combination with limb darkening coefficients to produce structure using …
Coupling Nuclear Induced Phonon Propagation With Conversion Electron Mössbauer Spectroscopy, Michael J. Parker
Coupling Nuclear Induced Phonon Propagation With Conversion Electron Mössbauer Spectroscopy, Michael J. Parker
Theses and Dissertations
Mössbauer spectroscopy is a very sensitive measurement technique (10-8 eV) which prompted motivation for the experiment described in this thesis. Namely, can a sensitive detection system be developed to detect nuclear recoils on the order of 10 to 100 of eVs? The hypothesis that this thesis tests is: Nuclear induced phonon bursts caused by Rutherford scattered alphas, decayed from 241Am, in a type-310 stainless steel material can couple with 7.3 keV conversion electron Mössbauer events at the other end of the material which will have a statistically significant effect on a Mössbauer spectrum. The phonon bursts produced by …
Surface Geometry And Chemistry Of Hydrothermally Synthesized Single Crystal Thorium Dioxide, Scott W. Key
Surface Geometry And Chemistry Of Hydrothermally Synthesized Single Crystal Thorium Dioxide, Scott W. Key
Theses and Dissertations
The surface chemistry and geometry of hydrothermally grown, single crystal ThO2 was studied using X-ray Photoemission Spectroscopy (XPS) and Atomic Force Microscopy (AFM). The crystal was studied before and after sputter etching with Ar+, heating up to 675 K, and dehydration with dry nitrogen. The hydrothermal growth technique incorporated Cs and F into the near surface bulk. Heating to 675 K drove off the F, but did not the Cs. Sputtering with Ar+ at 75° cleaned the crystal and created a more uniform surface geometry. The Th 4f peak resolution, as measured by XPS improved by …
The Effect Of Anisotropic Scatter On Atmospheric Neutron Transport, Nicholas J. Mcintee
The Effect Of Anisotropic Scatter On Atmospheric Neutron Transport, Nicholas J. Mcintee
Theses and Dissertations
Anisotropy is present in the angular distributions of neutrons departing from a nuclear scattering event. This anisotropy cannot be defined in a closed-form solution, and it is dependent on the incident neutron energy, elastic or inelastic scatter, along with the inelastic level, and the species struck. The underlying question is, if anisotropic behavior is worth the computational cost to be included in certain simulations, and if so, what level of precision is effected by the inclusion of anisotropic scatter. A Watt spectrum of U235 fission neutrons was examined as it collided with species in a nitrogen-oxygen atmosphere. In a …
Searching For Stable SiNCN Clusters: Combination Of Stochastic Potential Surface Search And Pseudopotential Plane-Wave Car-Parinello Simulated Annealing Simulations, Xiaofeng F. Duan, Lingyu Huang, Larry W. Burggraf
Searching For Stable SiNCN Clusters: Combination Of Stochastic Potential Surface Search And Pseudopotential Plane-Wave Car-Parinello Simulated Annealing Simulations, Xiaofeng F. Duan, Lingyu Huang, Larry W. Burggraf
Faculty Publications
To find low energy SinCn structures out of hundreds to thousands of isomers we have developed a general method to search for stable isomeric structures that combines Stochastic Potential Surface Search and Pseudopotential Plane-Wave Density Functional Theory Car-Parinello Molecular Dynamics simulated annealing (PSPW-CPMD-SA). We enhanced the Sunders stochastic search method to generate random cluster structures used as seed structures for PSPW-CPMD-SA simulations. This method ensures that each SA simulation samples a different potential surface region to find the regional minimum structure. By iterations of this automated, parallel process on a high performance computer we located hundreds to …
Theoretical Study Of The Effects Of Di-Muonic Molecules On Muon-Catalyzed Fusion, Eugene V. Sheely
Theoretical Study Of The Effects Of Di-Muonic Molecules On Muon-Catalyzed Fusion, Eugene V. Sheely
Theses and Dissertations
This document presents a theoretical study di-muonic hydrogen and helium molecules that have the potential of enhancing the muon-catalyzed fusion reaction rate. In order to study these di-muonic molecules a method of non-adiabatic quantum mechanics referred to as a General Particle Orbital (GPO) method was developed. Three mechanisms that have the possibility of enhancing the muon-catalyzed fusion rate were discovered. Two involve the formation of di-muonic hydrogen molecules, and the other uses di-muonic molecules to liberate muons stuck to 3He nuclei. The effects of muon spin on dimuonic hydrogen molecules was studied. The nuclear separation in di-muonic hydrogen molecules …