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Articles 1 - 30 of 115
Full-Text Articles in Physics
Analyzing The Effects Of Ultrafast Laser Processing On Mechanical Properties Of 3d-Printed Pla Parts, Darshan Pramodbhai Yadav
Analyzing The Effects Of Ultrafast Laser Processing On Mechanical Properties Of 3d-Printed Pla Parts, Darshan Pramodbhai Yadav
Theses and Dissertations
Recent advances in additive manufacturing technologies have already led to wide-scale adoption of 3D-printed parts in various industries. The expansion in choice of materials that can be processed, particularly using Fused Deposition Modeling (FDM), and the steady advancements in dimensional accuracy control have extended the range of applications far beyond rapid prototyping. However, additive manufacturing still has considerable limitations compared to traditional and subtractive manufacturing processes. This work addresses limitations associated with the as-deposited surface roughness of 3D-printed parts. The effects of roughness-induced stress concentrations were studied on ultimate tensile strength and fatigue life. The samples were manufactured using a …
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 …
Molecular Insights Into The Redox Of Atmospheric Mercury Through Laser Spectroscopy, Rongrong Wu Cohen
Molecular Insights Into The Redox Of Atmospheric Mercury Through Laser Spectroscopy, Rongrong Wu Cohen
Theses and Dissertations
The widespread pollution of mercury motivates research into its atmospheric chemistry and transport. Gaseous elemental mercury (Hg(0)) dominates mercury emission to the atmosphere, but the rate of its oxidation to mercury compound (Hg(II)) plays a significant role in controlling where and when mercury deposits to ecosystems. Atomic bromine is regarded as the main oxidant for Hg(0) oxidation, known to initiate the oxidation via a two-step process in the atmosphere – formation of BrHg (R1) and subsequent reactions of BrHg with abundant free radicals Y, i.e., NO2, HOO, etc. (R2), where the reaction of BrHg +Y could also lead to the …
Enabling Rapid Chemical Analysis Of Plutonium Alloys Via Machine Learning-Enhanced Atomic Spectroscopy Techniques, Ashwin P. Rao
Enabling Rapid Chemical Analysis Of Plutonium Alloys Via Machine Learning-Enhanced Atomic Spectroscopy Techniques, Ashwin P. Rao
Theses and Dissertations
Analytical atomic spectroscopy methods have the potential to provide solutions for rapid, high fidelity chemical analysis of plutonium alloys. Implementing these methods with advanced analytical techniques can help reduce the chemical analysis time needed for plutonium pit production, directly enabling the 80 pit-per-year by 2030 manufacturing goal outlined in the 2018 Nuclear Posture Review. Two commercial, handheld elemental analyzers were validated for potential in situ analysis of Pu. A handheld XRF device was able to detect gallium in a Pu surrogate matrix with a detection limit of 0.002 wt% and a mean error of 8%. A handheld LIBS device was …
Characterization Of Environmental Conditioning Of Lithium Hydride Using Spectroscopy And Machine Learning, Ryan E. Pinson
Characterization Of Environmental Conditioning Of Lithium Hydride Using Spectroscopy And Machine Learning, Ryan E. Pinson
Theses and Dissertations
Lithium compounds such as lithium hydride (LiH) and anhydrous lithium hydroxide (LiOH) have various applications in industry but are highly reactive when exposed to moisture and CO2. These reactions create new molecular forms, including compounds such as lithium oxide (Li2O), lithium hydroxide monohydrate (LiOH ·H2O), and lithium carbonate (Li2CO3). These new compounds degrade the effectiveness in applications using these compounds. The negative effects induced by new lithium compounds creates a need for the ability to characterize the in-growth of such compounds. To study these in-growths, this work will present environmental …
Atomistic Simulation Of Na+ And Cl- Ions Binding Mechanisms To Tobermorite 14Å As A Model For Alkali Activated Cements, Ahmed Abdelkawy
Atomistic Simulation Of Na+ And Cl- Ions Binding Mechanisms To Tobermorite 14Å As A Model For Alkali Activated Cements, Ahmed Abdelkawy
Theses and Dissertations
The production of ordinary Portland cement (OPC) is responsible for ~8% of all man-made CO2 emissions. Unfortunately, due to the continuous increase in the number of construction projects, and since virtually all projects depend on hardened cement from the hydration of OPC as the main binding material, the production of OPC is not expected to decrease. Alkali-activated cement produced from the alkaline activation of byproducts of industries, such as iron and coal industries, or processed clays represents a potential substitute for OPC. However, the interaction of the reaction products of AAC with corrosive ions from the environment, such as Cl-, …
Periodic Trends In The Infrared And Optical Absorption Spectra Of Metal Chalcogenide Clusters, Alain Ward
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 A Magnetic Confinement Attachment For Enhanced Signal In Handheld Laser Induced Breakdown Spectroscopy Soil Analysis, Alfred C. Anderson
Development Of A Magnetic Confinement Attachment For Enhanced Signal In Handheld Laser Induced Breakdown Spectroscopy Soil Analysis, Alfred C. Anderson
Theses and Dissertations
Field techniques for characterizing low levels of heavy elements of less than 100 parts per million in soils tend to be unreliable because of the relatively weak signal of these elements and the large, variable background inherent to analyzing soils with minimal sample preparation. To enhance the detection and analysis capability of a handheld laser-induced breakdown spectroscopy (LIBS) instrument, this work investigates the effects of a unique magnetic confinement apparatus on signal intensities, focusing on five iron lines as well as those from actinides in 11 soil samples. The proposed magnetic confinement apparatus achieved over 0.8 T but did not …
Neutron Energy Tuning Assemblies For Nuclear Weapon Environment Applications At The National Ignition Facility, Nicholas J. Quartemont
Neutron Energy Tuning Assemblies For Nuclear Weapon Environment Applications At The National Ignition Facility, Nicholas J. Quartemont
Theses and Dissertations
An energy tuning assembly was developed to spectrally shape the National Ignition Facility deuterium-tritium fusion neutron source to a notional thermonuclear and prompt fission neutron spectrum to fulfill neutron source capability gaps. The experimental neutron environment was characterized with activation dosimetry, neutronics and covariance models, and unfolded to determine the as-fielded neutron spectrum. The first energy tuning assembly was demonstrated to create synthetic spectrally accurate post-detonation fission products, enhancing U.S. technical nuclear forensics capabilities. ATHENA, a second-generation energy tuning assembly, was also optimized to meet similar objectives, but the new platform neutron fluence efficiency was increased by a factor of …
Correlated Positron-Electron Orbital (Cpeo): A Novel Method That Models Positron-Electron Correlation In Virtual Ps At The Mean-Field Level, Kevin E. Blaine
Correlated Positron-Electron Orbital (Cpeo): A Novel Method That Models Positron-Electron Correlation In Virtual Ps At The Mean-Field Level, Kevin E. Blaine
Theses and Dissertations
The Correlated Positronic-Electronic Orbital (CPEO) method was developed and implemented to capture correlation effects at between the positron and electron in the modeling of systems that involve a bound positron. Methods that effectively model these systems require many hundred basis functions and use a mean field approach as the beginning step. CPEO builds an orbital for virtual Positronium (Ps) that contains a positron in a bound state along with an accompanying electron to the larger system. Assigning the virtual Ps orbital allows for the two particle variational optimization in conjunction with the other particles that compose the whole system. This …
Investigation Of G Protein-Coupled Receptor Quaternary Structure Through Fluorescence Micro-Spectroscopy And Theoretical Modeling: Interdependence Between Receptor-Receptor And Receptor-Ligand Interactions, Joel David Paprocki
Theses and Dissertations
Proteins are of high interest in biophysics research due to the important roles they play within cells, such as sensing of chemical (ions and small molecules) and physical (e.g., light) stimuli, providing structure, transporting ions/molecules, signaling, and intercellular communication. The studies described in this dissertation focus on a particular type of membrane proteins known as G protein-coupled receptors (GPCR), which play a key role in cellular response to external stimuli. We used the sterile 2 α-factor mating pheromone receptor (Ste2), a prototypical class D GPCR present within Saccharomyces cerevisiae (baker’s yeast). Ste2 is responsible for initiating the second messenger signal …
Ab Initio Spectroscopy Of Natural And Artificial Fire Contaminants For V/W Band Frequency Signal Absorbance, Matthew B. Husk
Ab Initio Spectroscopy Of Natural And Artificial Fire Contaminants For V/W Band Frequency Signal Absorbance, Matthew B. Husk
Theses and Dissertations
The rotation and vibration spectral properties including frequencies and intensities for highly concentrated molecules present in wildland and artificial fires have been studied. These properties were used to determine absorption and its effect in a link budget analysis. Absorption in link budget analyses is commonly accounted for via line-by-line methodology aided by HITRAN documented intensities. Limited, if any, customization of spectral properties is available with HITRAN and other spectral databases. Ab initio calculations with different atomic basis sets were employed to obtain structures, dipole moments, rotational-vibrational frequencies and intensities, as well as various coupling parameters. Anharmonic corrections to the vibrational …
Computational Electromagnetic Modeling Of Metasurface Optical Devices With Defect Study, Carlos D. Diaz
Computational Electromagnetic Modeling Of Metasurface Optical Devices With Defect Study, Carlos D. Diaz
Theses and Dissertations
One of the first fabricated metasurface optical devices, the in-plane V-antenna lenses, were plagued by a fundamental transmission limit (<25 >). Two distinct sets of Out-of-Plane phase elements were designed with improved transmission (~60 ). These were fabricated as beamsteerers and characterized in terms of their Bidirectional Transmittance Distribution Function measured as a function of scatter angle. Experimental data from the beamsteerers was analyzed via simulations using a finite element method (FEM). The measurements showed the designed beamsteering, but also a strong zero-order diffraction not present in the simulations, which motivated this study to understand what was causing these differences. …
Data Driven Investigation Into The Off-Axis Brdf To Develop An Algorithm To Classify Anisotropicity, Anne W. Werkley
Data Driven Investigation Into The Off-Axis Brdf To Develop An Algorithm To Classify Anisotropicity, Anne W. Werkley
Theses and Dissertations
The Bi-directional Reflectance Distribution Function (BRDF) is used to describe reflectances of materials by calculating the ratio of the reflected radiance to the incident irradiance. While it was found that isotropic BRDF microfacet models maintained symmetry about ɸs = π, such symmetry was not maintained about the θs = θi axis, except for close to the specular peak. This led to development of a novel data-driven metric for how isotropic a BRDF measurement is. Research efforts centered around developing an algorithm that could determine material anisotropy without having to fit to models. The algorithm developed here successfully …
Lithium Compound Characterization Via Laser Induced Breakdown Spectroscopy And Raman Spectroscopy, James T. Stofel
Lithium Compound Characterization Via Laser Induced Breakdown Spectroscopy And Raman Spectroscopy, James T. Stofel
Theses and Dissertations
Industries such as lithium-ion battery producers and the nuclear industry community seek to produce and store lithium in pure chemical forms. However, these lithium compounds are reactive with the atmosphere and quickly degrade into less desirable forms. Therefore, industry desires a fast and effective quality control approach to quantify the ingrowth of these secondary lithium chemical forms. This research presents a novel approach using Laser-Induced Breakdown Spectroscopy (LIBS) and Raman spectroscopy in tandem to enhance lithium compound characterization beyond what is achieved by either technique alone. The resulting spectral data are aggregated using data fusion and analyzed using chemometrics for …
Error Reduction For The Determination Of Transverse Moduli Of Single-Strand Carbon Fibers Via Atomic Force Microscopy, Joshua D. Frey
Error Reduction For The Determination Of Transverse Moduli Of Single-Strand Carbon Fibers Via Atomic Force Microscopy, Joshua D. Frey
Theses and Dissertations
The transverse modulus of single strand carbon fibers is measured using PeakForce Atomic Force Microscopy - Quantitative Nanomechanical Measurement to less than 5 percent error for 11 types of carbon fiber with longitudinal moduli between 924-231 GPA, including export-controlled fibers. Statistical methods are employed to improve the quality of data to exclude outliers within an measurement and within the sample set. A positive linear correlation between the longitudinal and transverse modulus with an R2=0.76 is found. Pitch-based fibers exhibit lower measurement error than PAN-based fibers, while PAN fibers exhibited no apparent modulus correlation when the Pitch fibers are …
Equations Of State For Warm Dense Carbon From Quantum Espresso, Derek J. Schauss
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 …
Physics-Constrained Hyperspectral Data Exploitation Across Diverse Atmospheric Scenarios, Nicholas M. Westing
Physics-Constrained Hyperspectral Data Exploitation Across Diverse Atmospheric Scenarios, Nicholas M. Westing
Theses and Dissertations
Hyperspectral target detection promises new operational advantages, with increasing instrument spectral resolution and robust material discrimination. Resolving surface materials requires a fast and accurate accounting of atmospheric effects to increase detection accuracy while minimizing false alarms. This dissertation investigates deep learning methods constrained by the processes governing radiative transfer to efficiently perform atmospheric compensation on data collected by long-wave infrared (LWIR) hyperspectral sensors. These compensation methods depend on generative modeling techniques and permutation invariant neural network architectures to predict LWIR spectral radiometric quantities. The compensation algorithms developed in this work were examined from the perspective of target detection performance using …
Low-Information Radiation Imaging Using Rotating Scatter Mask Systems And Neural Network Algorithms, Robert J. Olesen
Low-Information Radiation Imaging Using Rotating Scatter Mask Systems And Neural Network Algorithms, Robert J. Olesen
Theses and Dissertations
While recent studies have demonstrated the directional capabilities of the single-detector rotating scatter mask (RSM) system for discrete, dual-particle environments, there has been little progress towards adapting it as a true imaging device. In this research, two algorithms were developed and tested using an RSM mask design previously optimized for directional detection and simulated 137Cs signals from a variety of source distributions. The first, maximum-likelihood expectation-maximization (ML-EM), was shown to generate noisy images, with relatively low accuracy (145% average relative error) and signal-to-noise ratio (0.27) for most source distributions simulated. The second, a novel regenerative neural network (ReGeNN), performed exceptionally …
Comparison Of The Accuracy Of Rayleigh-Rice Polarization Factors To Improve Microfacet Brdf Models, Rachel L. Wolfgang
Comparison Of The Accuracy Of Rayleigh-Rice Polarization Factors To Improve Microfacet Brdf Models, Rachel L. Wolfgang
Theses and Dissertations
Microfacet BRDF models assume that a surface has many small microfacets making up the roughness of the surface. Despite their computational simplicity in applications in remote sensing and scene generation, microfacet models lack the physical accuracy of wave optics models. In a previous work, Butler proposed to replace the Fresnel reflectance term of microfacet models with the Rayleigh-Rice polarization factor, Q, to create a more accurate model. This work examines the novel model that combines microfacet and wave optics terms for its accuracy in the pp and ss polarized cases individually. The model is fitted to the polarized data in …
The Design Of A Continuous Wave Molecular Nitrogen Stimulated Raman Laser In The Visible Spectrum, Timothy J. Bate
The Design Of A Continuous Wave Molecular Nitrogen Stimulated Raman Laser In The Visible Spectrum, Timothy J. Bate
Theses and Dissertations
Hollow-core photonic crystal fibers (HCPCFs) shows promise as a hybrid laser with higher nonlinear process limits and small beam size over long gain lengths. This work focuses on the design of a CW molecular nitrogen (N2) stimulated Raman laser. N2 offers Raman gains scaling up to 900 amg, scaling higher than H2. The cavity experiment showed the need to include Rayleigh scattering in the high pressure required for N2 Raman lasing. Even at relatively low pressure ssuch as 1,500 psi, high conversion percentages should be found if the fiber length is chosen based on …
Measurement Of The 160Gd(P,N)160Tb Excitation Function From 4 18 Mev, Using A Stacked Foil Technique, Ryan K. Chapman
Measurement Of The 160Gd(P,N)160Tb Excitation Function From 4 18 Mev, Using A Stacked Foil Technique, Ryan K. Chapman
Theses and Dissertations
A stack of thin Gd, Ti, and Cu foils were irradiated with an 18 MeV proton beam at Lawrence-Berkeley National Laboratory's 88-Inch Cyclotron to investigate the 160Gd(p,n)160Tb nuclear reaction for nuclear forensics applications. This experiment will improve knowledge of 160Tb production rates, allowing 160Tb to be efficiently created in a foil stack consisting of other proton induced isotopes for forensics applications. A set of 15 measured cross sections between 4-18 MeV for 160Gd(p,n)160Tb were obtained using a stacked foil technique. The foil stack consisted of one stainless steel, one iron, fifteen gadolinium, …
Rapid Analysis Of Plutonium Surrogate Material Via Hand-Held Laser-Induced Breakdown Spectroscopy, Ashwin P. Rao
Rapid Analysis Of Plutonium Surrogate Material Via Hand-Held Laser-Induced Breakdown Spectroscopy, Ashwin P. Rao
Theses and Dissertations
This work investigated the capability of a portable LIBS device to detect and quantify dopants in plutonium surrogate alloys, specifically gallium, which is a common stabilizer used in plutonium alloys. The SciAps Z500-ER was utilized to collect spectral data from cerium-gallium alloys of varying gallium concentrations. Calibration models were built to process spectra from the Ce-Ga alloys and calculate gallium concentration from spectral emission intensities. Univariate and multivariate analysis techniques were used to determine limits of detection of different emission line ratios. Spatial mapping measurements were conducted to determine the device's ability to detect variations in gallium concentration on the …
Development Of A Model For 11C Production Via The 14N(P,Α) Reaction Using A Ge Pettrace Cyclotron, Amy C. Hall
Development Of A Model For 11C Production Via The 14N(P,Α) Reaction Using A Ge Pettrace Cyclotron, Amy C. Hall
Theses and Dissertations
The GE PETtrace 800 Series cyclotron at the Missouri University Research Reactor (MURR) facility is used extensively for medical and research radioisotope production. However, no model exists of its radioisotope production performance, and the energy, full intensity, and spatial profile of the cyclotron proton beam has never been measured. To improve production planning for research and medical isotopes, a MCNP6 model of the isotope production process was developed to maximize efficiency in target design and better understand irradiation conditions. Since the cyclotron beam energy and profile has a significant impact on the types of reactions that take place and the …
Electronic And Geometric Structure Of Alnom And Alnom +, Albert R. Armstrong
Electronic And Geometric Structure Of Alnom And Alnom +, Albert R. Armstrong
Theses and Dissertations
Generally, the electronic stability of aluminum clusters is associated with either closed electronic shells of delocalized electrons, or aluminum in the +3 state. To explore alternative routes for electronic stability in aluminum oxide clusters, theoretical methods were used to examine the geometric and electronic structure of AlnOm (2≤n≤7; 1≤m≤10) clusters. Two types of electronically stable clusters with large HOMO-LUMO gaps were identified the first being Al2nO3m clusters with a +3 oxidation state on the aluminum, and the second being planar clusters such as Al4O4, Al5O3, Al …
Optimizing Gas Mixture Composition For The Rtpc Detector For Bonus 12 At Jefferson Lab., Joshua H. Lehman
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 …
Electronic Structure Of Cathode Materials In Lithium Ion Batteries, John M. Swanlund
Electronic Structure Of Cathode Materials In Lithium Ion Batteries, John M. Swanlund
Theses and Dissertations
Lithium ion batteries are ubiquitous in modern life, from powering hand-held electronic devices to electric vehicles. And with the necessary drive toward renewable energy sources like solar and wind, electricity storage for the grid promises to drive up the demand for higher performing, less expensive, safer, and more environmentally friendly secondary batteries. Recent research has theorized that replacing halogens in batteries’ electrolytes with non-halogens can yield desirable performance characteristics while eliminating the most dangerous and problematic chemicals. This thesis explores the possibility that a similar approach can be taken with the cathodes of lithium ion batteries. The active material in …
Searching For Clean Observables In $B -> D* /Tau- \Bar{\Nu}_{\Tau}$ Decays, Michael D. Williams Jr.
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.
Special Features Of The Air-To-Space Neutron Transport Problem, Whitman T. Dailey
Special Features Of The Air-To-Space Neutron Transport Problem, Whitman T. Dailey
Theses and Dissertations
Special features of the air-to-space neutron transport problem are identified, characterized, and quantified to provide information on features that should be included in Monte Carlo simulations to obtain accurate predictions. Currently available codes and tools for Monte Carlo neutron transport calculations do not provide an adequate (in accuracy nor precision nor efficiency) framework for practical transport calculations in the context of the air-to-space neutron transport problem. A new Fortran code, High Altitude Transport to Space for Neutrons (HATS-n), is developed and tested to perform high fidelity Monte Carlo neutron transport calculations for this class of problems. Special features of the …
Luminescence In Lithium Borates, Brant T. Kananen
Luminescence In Lithium Borates, Brant T. Kananen
Theses and Dissertations
Spectrometry methods are used to identify and characterize point defects in single crystals of lithium tetraborate (Li2B4O7) and lithium triborate (LiB3O5) doped with silver or copper, and explore the role of these point defects in luminescence. New defects are identified in Ag-doped including: lithium vacancy substitutional-silver-ion defect-pairs (hole trap); isolated lithium vacancies (hole trap); isolated oxygen vacancies (electron trap); interstitial-silver-ion substitutional-silver-ion defect pairs (electron trap); isolated interstitial silver ions (electron trap); and interstitial-silver-ion lithium-vacancy defect pairs (electron trap). Defect models are proposed, and adjustments made to defect models known defects. …