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Full-Text Articles in Physics

Analytic Non-Adiabatic Derivative Coupling Terms For Spin-Orbit Mrci Wavefunctions. I. Formalism, Lachlan T. Belcher, Gary S. Kedziora, David E. Weeks Dec 2019

Analytic Non-Adiabatic Derivative Coupling Terms For Spin-Orbit Mrci Wavefunctions. I. Formalism, Lachlan T. Belcher, Gary S. Kedziora, David E. Weeks

Faculty Publications

Analytic gradients of electronic eigenvalues require one calculation per nuclear geometry, compared to at least 3n + 1 calculations for finite difference methods, where n is the number of nuclei. Analytic nonadiabatic derivative coupling terms (DCTs), which are calculated in a similar fashion, are used to remove nondiagonal contributions to the kinetic energy operator, leading to more accurate nuclear dynamics calculations than those that employ the Born-Oppenheimer approximation, i.e., that assume off-diagonal contributions are zero. The current methods and underpinnings for calculating both of these quantities, gradients and DCTs, for the State-Averaged MultiReference Configuration Interaction with Singles and Doubles (MRCI-SD) …


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 Dec 2019

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....


Generating Electromagnetic Nonuniformly Correlated Beams, Milo W. Hyde Iv, Xifeng Xiao, David G. Voelz Dec 2019

Generating Electromagnetic Nonuniformly Correlated Beams, Milo W. Hyde Iv, Xifeng Xiao, David G. Voelz

Faculty Publications

We develop a method to generate electromagnetic nonuniformly correlated (ENUC) sources from vector Gaussian Schell-model (GSM) beams. Having spatially varying correlation properties, ENUC sources are more difficult to synthesize than their Schell-model counterparts (which can be generated by filtering circular complex Gaussian random numbers) and, in past work, have only been realized using Cholesky decomposition—a computationally intensive procedure. Here we transform electromagnetic GSM field instances directly into ENUC instances, thereby avoiding computing Cholesky factors resulting in significant savings in time and computing resources. We validate our method by generating (via simulation) an ENUC beam with desired parameters. We find the …


Analytic Non-Adiabatic Derivative Coupling Terms For Spin-Orbit Mrci Wavefunctions. Ii. Derivative Coupling Terms And Coupling Angle For Khe (A2Π1/2) ⇔ Khe B2Σ1/2), Lachlan T. Belcher, Charlton D. Lewis, Gary S. Kedziora, David E. Weeks Dec 2019

Analytic Non-Adiabatic Derivative Coupling Terms For Spin-Orbit Mrci Wavefunctions. Ii. Derivative Coupling Terms And Coupling Angle For Khe (A2Π1/2) ⇔ Khe B2Σ1/2), Lachlan T. Belcher, Charlton D. Lewis, Gary S. Kedziora, David E. Weeks

Faculty Publications

A method for calculating the analytic nonadiabatic derivative coupling terms (DCTs) for spin-orbit multi-reference configuration interaction wavefunctions is reviewed. The results of a sample calculation using a Stuttgart basis for KHe are presented. Additionally, the DCTs are compared with a simple calculation based on the Nikitin’s 3 × 3 description of the coupling between the Σ and Π surfaces, as well as a method based on Werner’s analysis of configuration interaction coefficients. The nonadiabatic coupling angle calculated by integrating the radial analytic DCTs using these different techniques matches extremely well. The resultant nonadiabatic energy surfaces for KHe are presented.


Deep Donors And Acceptors In Β-Ga2O3 Crystals: Determination Of The Fe2+/3+ Level By A Noncontact Method, Christopher A. Lenyk, Trevor A . Gustafson, Larry E. Halliburton, Nancy C. Giles Dec 2019

Deep Donors And Acceptors In Β-Ga2O3 Crystals: Determination Of The Fe2+/3+ Level By A Noncontact Method, Christopher A. Lenyk, Trevor A . Gustafson, Larry E. Halliburton, Nancy C. Giles

Faculty Publications

Electron paramagnetic resonance (EPR), infrared absorption, and thermoluminescence (TL) are used to determine the Fe2+/3+ level in Fe-doped β-Ga2O3 crystals. With these noncontact spectroscopy methods, a value of 0.84 ± 0.05 eV below the conduction band is obtained for this level. Our results clearly establish that the E2 level observed in deep level transient spectroscopy (DLTS) experiments is due to the thermal release of electrons from Fe2+ ions. The crystals used in this investigation were grown by the Czochralski method and contained large concentrations of Fe acceptors and Ir donors, and trace amounts of Cr …


Effect Of Ar(3p54p; 2p)+M -> Ar(3p54s; 1s)+M Branching Ratio On Optically Pumped Rare Gas Laser Performance, Daniel J. Emmons Ii, David E. Weeks Nov 2019

Effect Of Ar(3p54p; 2p)+M -> Ar(3p54s; 1s)+M Branching Ratio On Optically Pumped Rare Gas Laser Performance, Daniel J. Emmons Ii, David E. Weeks

Faculty Publications

Optically pumped rare gas laser performance is analyzed as a function of the Ar(3p54p; 2p) + M → Ar(3p54s; 1s) + M branching ratios. Due to the uncertainty in the branching ratios, a sensitivity study is performed to determine the effect on output and absorbed pump laser intensities. The analysis is performed using a radio frequency dielectric barrier discharge as the source of metastable production for a variety of Argon in Helium mixtures over pressures ranging from 200 to 500 Torr. Peak output laser intensities show a factor of 7 increase as the branching ratio is …


Gamma-Ray Radiation Effects In Graphene-Based Transistors With H-Bn Nanometer Film Substrates, E. J. Cazalas, Michael R. Hogsed, S. R. Vangala, Michael R. Snure, John W. Mcclory Nov 2019

Gamma-Ray Radiation Effects In Graphene-Based Transistors With H-Bn Nanometer Film Substrates, E. J. Cazalas, Michael R. Hogsed, S. R. Vangala, Michael R. Snure, John W. Mcclory

Faculty Publications

Radiation effects on graphene field effect transistors (GFETs) with hexagonal boron nitride (h-BN) thin film substrates are investigated using 60Co gamma-ray radiation. This study examines the radiation response using many samples with varying h-BN film thicknesses (1.6 and 20 nm thickness) and graphene channel lengths (5 and 10 μm). These samples were exposed to a total ionizing dose of approximately 1 Mrad(Si). I-V measurements were taken at fixed time intervals between irradiations and postirradiation. Dirac point voltage and current are extracted from the I-V measurements, as well as mobility, Dirac voltage hysteresis, and the total number of GFETs that remain …


Measurement Of Electron Density And Temperature From Laser-Induced Nitrogen Plasma At Elevated Pressure (1–6 Bar), Ashwin P. Rao [*], Mark Gragston, Anil K. Patnaik, Paul S. Hsu, Michael B. Shattan Nov 2019

Measurement Of Electron Density And Temperature From Laser-Induced Nitrogen Plasma At Elevated Pressure (1–6 Bar), Ashwin P. Rao [*], Mark Gragston, Anil K. Patnaik, Paul S. Hsu, Michael B. Shattan

Faculty Publications

Laser-induced plasmas experience Stark broadening and shifts of spectral lines carrying spectral signatures of plasma properties. In this paper, we report time-resolved Stark broadening measurements of a nitrogen triplet emission line at 1–6 bar ambient pressure in a pure nitrogen cell. Electron densities are calculated using the Stark broadening for different pressure conditions, which are shown to linearly increase with pressure. Additionally, using a Boltzmann fit for the triplet, the electron temperature is calculated and shown to decrease with increasing pressure. The rate of plasma cooling is observed to increase with pressure. The reported Stark broadening based plasma diagnostics in …


Generating Electromagnetic Schell-Model Sources Using Complex Screens With Spatially Varying Auto- And Cross-Correlation Functions, Milo W. Hyde Iv Sep 2019

Generating Electromagnetic Schell-Model Sources Using Complex Screens With Spatially Varying Auto- And Cross-Correlation Functions, Milo W. Hyde Iv

Faculty Publications

We present a method to generate any physically realizable electromagnetic Schell-model source. Our technique can be directly implemented on existing vector-beam generators that utilize spatial light modulators for coherence control, beam shaping, and relative phasing. This work significantly extends published research on the subject, where control over the partially coherent source’s cross-spectral density matrix was limited. We begin by presenting the statistical optics theory necessary to derive and implement our method. We then apply our technique, both analytically and in simulation, to produce two electromagnetic Schell-model sources from the literature. We demonstrate control over the full cross-spectral density matrices of …


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 Sep 2019

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 …


Near-Field Effects On Partially Coherent Light Scattered By An Aperture, Milo W. Hyde Iv, Michael J. Havrilla Aug 2019

Near-Field Effects On Partially Coherent Light Scattered By An Aperture, Milo W. Hyde Iv, Michael J. Havrilla

Faculty Publications

We investigate how the near field affects partially coherent light scattered from an aperture in an opaque screen. Prior work on this subject has focused on the role of surface plasmons, and how they affect spatial coherence is well documented. Here, we consider other near-field effects that might impact spatial coherence. We do this by examining the statistics of the near-zone field scattered from an aperture in a perfect electric conductor plane—a structure that does not support surface plasmons. We derive the near-field statistics (in particular, cross-spectral density functions) by applying electromagnetic equivalence theorems and the Method of Moments. We …


Controlling The Spatial Coherence Of An Optical Source Using A Spatial Filter, Milo W. Hyde Iv Aug 2019

Controlling The Spatial Coherence Of An Optical Source Using A Spatial Filter, Milo W. Hyde Iv

Faculty Publications

This paper presents the theory for controlling the spectral degree of coherence via spatial filtering. Starting with a quasi-homogeneous partially coherent source, the cross-spectral density function of the field at the output of the spatial filter is found by applying Fourier and statistical optics theory. The key relation obtained from this analysis is a closed-form expression for the filter function in terms of the desired output spectral degree of coherence. This theory is verified with Monte Carlo wave-optics simulations of spatial coherence control and beam shaping for potential use in free-space optical communications and directed energy applications. The simulated results …


Fast And Effective Techniques For Lwir Radiative Transfer Modeling: A Dimension-Reduction Approach, Nicholas M. Westing [*], Brett J. Borghetti, Kevin C. Gross Aug 2019

Fast And Effective Techniques For Lwir Radiative Transfer Modeling: A Dimension-Reduction Approach, Nicholas M. Westing [*], Brett J. Borghetti, Kevin C. Gross

Faculty Publications

The increasing spatial and spectral resolution of hyperspectral imagers yields detailed spectroscopy measurements from both space-based and airborne platforms. These detailed measurements allow for material classification, with many recent advancements from the fields of machine learning and deep learning. In many scenarios, the hyperspectral image must first be corrected or compensated for atmospheric effects. Radiative Transfer (RT) computations can provide look up tables (LUTs) to support these corrections. This research investigates a dimension-reduction approach using machine learning methods to create an effective sensor-specific long-wave infrared (LWIR) RT model.


Plasma Spectroscopy Of Titanium Monoxide For Characterization Of Laser Ablation, Todd A. Van Woerkom, Glen P. Perram, Christian G. Parigger, Brian D. Dolasinski, Charles D. Phelps, Patrick A. Berry Aug 2019

Plasma Spectroscopy Of Titanium Monoxide For Characterization Of Laser Ablation, Todd A. Van Woerkom, Glen P. Perram, Christian G. Parigger, Brian D. Dolasinski, Charles D. Phelps, Patrick A. Berry

Faculty Publications

Ablation of titanium wafers in air is accomplished with 60 µs pulsed, 2.94 µm laser radiation. Titanium monoxide spectra are measured in the wavelength range of 500 nm to 750 nm, and molecular signatures include bands of the C3 Δ → X3 Δ α, B3 Π → X3 Δ γ', and A3 Φ → X3 Δ γ transitions. The spatially and temporally averaged spectra appear to be in qualitative agreement with previous temporally resolved studies that employed shorter wavelengths and shorter pulse durations than utilized in this work. The background signals in the current study are possibly due to particulate …


3d Plasmonic Design Approach For Efficient Transmissive Huygens Metasurfaces, Bryan M. Adomanis, D. Bruce Burckel, Michael A. Marciniak Jul 2019

3d Plasmonic Design Approach For Efficient Transmissive Huygens Metasurfaces, Bryan M. Adomanis, D. Bruce Burckel, Michael A. Marciniak

Faculty Publications

In this paper we present a design concept for 3D plasmonic scatterers as high- efficiency transmissive metasurface (MS) building blocks. A genetic algorithm (GA) routine partitions the faces of the walls inside an open cavity into a M x N grid of voxels which can be either covered with metal or left bare, and optimizes the distribution of metal coverage needed to generate electric and magnetic modes of equal strength with a targeted phase delay (Φt) at the design wavelength. Even though the electric and magnetic modes can be more complicated than typical low order modes, with their spectral overlap …


Generating Dark And Antidark Beams Using The Genuine Cross-Spectral Density Function Criterion, Milo W. Hyde Iv, Svetlana Avramov-Zamurovic Jun 2019

Generating Dark And Antidark Beams Using The Genuine Cross-Spectral Density Function Criterion, Milo W. Hyde Iv, Svetlana Avramov-Zamurovic

Faculty Publications

In this work, we demonstrate how to generate dark and antidark beams—diffraction-free partially coherent sources—using the genuine cross-spectral density function criterion. These beams have been realized in prior work using the source’s coherent-mode representation and by transforming a J0-Bessel correlated partially coherent source using a wavefront-folding interferometer. We generalize the traditional dark and antidark beams to produce higher-order sources, which have not been realized. We simulate the generation of these beams and compare the results to the corresponding theoretical predictions. The simulated results are found to be in excellent agreement with theory, thus validating our analysis. We discuss …


Partially Coherent Sources Generated From The Incoherent Sum Of Fields Containing Random-Width Bessel Functions, Milo W. Hyde Iv Mar 2019

Partially Coherent Sources Generated From The Incoherent Sum Of Fields Containing Random-Width Bessel Functions, Milo W. Hyde Iv

Faculty Publications

Using the criterion for a genuine cross-spectral density function, we demonstrate the realization of an ??-Bessel correlated source, which has only recently been achieved using the source’s coherent-mode representation. In addition, with just a simple change, we create a whole new class of partially coherent sources that have not been realized. We simulate the generation of these sources and compare the results to theoretical predictions to validate our analysis. The partially coherent sources described herein can easily be synthesized using spatial light modulators, and the approach presented in this Letter can be used to design sources for optical trapping, optical …


Shaping The Far-Zone Intensity, Degree Of Polarization, Angle Of Polarization, And Ellipticity Angle Using Vector Schell-Model Sources, Milo W. Hyde Iv Mar 2019

Shaping The Far-Zone Intensity, Degree Of Polarization, Angle Of Polarization, And Ellipticity Angle Using Vector Schell-Model Sources, Milo W. Hyde Iv

Faculty Publications

This paper presents a method to control both the shape and polarization of a beam in the far field using a vector Schell-model source. Given a desired far-zone beam shape and polarization, and applying Fourier and statistical optics theory, we derive the requisite second-order moments of said source, discuss what aspects of the far-zone beam can be controlled, and develop a step-by-step procedure for synthesizing the required random vector field instances. We validate this approach with Monte-Carlo wave-optics simulations. The results are found to be in very good agreement with the desired far-zone beam characteristics. The beam-shaping technique developed in …


Near Earth Space Object Detection Using Parallax As Multi-Hypothesis Test Criterion, Joseph C. Tompkins, Stephen C. Cain, David J. Becker Feb 2019

Near Earth Space Object Detection Using Parallax As Multi-Hypothesis Test Criterion, Joseph C. Tompkins, Stephen C. Cain, David J. Becker

Faculty Publications

The US Strategic Command (USSTRATCOM) operated Space Surveillance Network (SSN) is tasked with Space Situational Awareness (SSA) for the U.S. military. This system is made up of Electro-Optic sensors, such as the Ground-based Electro-Optical Deep Space Surveillance (GEODSS) and RADAR based sensors, such as the Space Fence Gaps. They remain in the tracking of Resident Space Objects (RSO’s) in Geosynchronous Orbits (GEO), due to limitations of SST and GEODSS system implementation. This research explores a reliable, ground-based technique used to quickly determine an RSO’s altitude from a single or limited set of observations. Implementation of such sensors into the SSN …


Experimental Study: Underwater Propagation Of Super-Gaussian And Multi-Gaussian Schell-Model Partially Coherent Beams With Varying Degrees Of Spatial Coherence, Svetlana Avramov-Zamurovic, Charles L. Nelson, Milo W. Hyde Iv Feb 2019

Experimental Study: Underwater Propagation Of Super-Gaussian And Multi-Gaussian Schell-Model Partially Coherent Beams With Varying Degrees Of Spatial Coherence, Svetlana Avramov-Zamurovic, Charles L. Nelson, Milo W. Hyde Iv

Faculty Publications

We report on experiments where super-Gaussian and flat-top, multi-Gaussian Schell-model spatially partially coherent beams, with varying degrees of spatial coherence, were propagated underwater. Two scenarios were explored—calm and mechanically agitated water. The main objective of our study was the experimental comparison of the scintillation statistics. For a similar degree of coherence widths, the results show a potentially improved performance of scintillation index for the multi-Gaussian Schell-model beams as compared to the super-Gaussian beams. It should be noted that the presented results pertain only to the given experimental scenarios and further investigation is necessary to determine the scope of the findings.


Laser-Induced Plasma Analysis For Surrogate Nuclear Debris, Michael B. Shattan, John Auxier, A. C. Stowe, Christian G. Parigger Jan 2019

Laser-Induced Plasma Analysis For Surrogate Nuclear Debris, Michael B. Shattan, John Auxier, A. C. Stowe, Christian G. Parigger

Faculty Publications

This work identifies analytical lines in laser-induced plasma for chemical analyses of major elements found in surrogate nuclear debris. These lines are evaluated for interferences and signal strength to insure they would be useful to measure relative concentrations. Compact, portable instruments are employed and can be included as part of a mobile nuclear forensics laboratory for field screening of nuclear debris and contamination. The average plasma temperature is measured using the well-established Boltzmann plot technique, and plasma's average electron density is determined using empirical formulae based on Stark broadening of the H-alpha line. These measurements suggest existence of partial local …


M2 Factor Of A Vector Schell-Model Beam, Milo W. Hyde Iv, Mark F. Spencer Jan 2019

M2 Factor Of A Vector Schell-Model Beam, Milo W. Hyde Iv, Mark F. Spencer

Faculty Publications

Extending existing scalar Schell-model source work, we derive the M2 factor for a general electromagnetic or vector Schell-model source to assess beam quality. In particular, we compute the M2 factors for two vector Schell-model sources found in the literature. We then describe how to synthesize vector Schell-model beams in terms of specified, desired M2 and present Monte Carlo simulation results to validate our analysis.


Variations Of Heavy Ion Abundances Relative To Proton Abundances In Large Solar Energetic (E > 10 Mev) Particle Events, J. F. Round, Robert D. Loper, Omar A. Nava, Stephen W. Kahler Jan 2019

Variations Of Heavy Ion Abundances Relative To Proton Abundances In Large Solar Energetic (E > 10 Mev) Particle Events, J. F. Round, Robert D. Loper, Omar A. Nava, Stephen W. Kahler

Faculty Publications

The elemental composition of heavy ions (with atomic number Z > 2) (hi-Z) in large gradual E > 10 MeV nuc-1 SEP events has been extensively studied in the 2-15 MeV nuc-1 range to determine the acceleration processes and transport properties of SEPs. These studies invariably are based on abundances relative to those of a single element such as C or O and often neglect H and He, the elements of primary interest for space weather. The total radiation of an SEP event is determined not only by the H and He properties but also by those of hi-Z ions …