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- Electron paramagnetic resonance spectroscopy (6)
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Articles 1 - 30 of 57
Full-Text Articles in Physical Sciences and Mathematics
Lithium Tetraborate As A Neutron Scintillation Detector: A Review, Elena Echeverria, John W. Mcclory, Lauren Samson, Katherine Shene, Juan A. Colon Santana, Yaroslav V. Burak, Volodymyr T. Adamiv, Ihor M. Teslyuk, Lu Wang, Wai-Ning Mei, Kyle A. Nelson, Douglas S. Mcgregor, Peter A. Dowben, Carolina C. Ilie, James C. Petrosky, Archit Dhingra
Lithium Tetraborate As A Neutron Scintillation Detector: A Review, Elena Echeverria, John W. Mcclory, Lauren Samson, Katherine Shene, Juan A. Colon Santana, Yaroslav V. Burak, Volodymyr T. Adamiv, Ihor M. Teslyuk, Lu Wang, Wai-Ning Mei, Kyle A. Nelson, Douglas S. Mcgregor, Peter A. Dowben, Carolina C. Ilie, James C. Petrosky, Archit Dhingra
Faculty Publications
The electronic structure and translucent nature of lithium tetraborate (Li2B4O7) render it promising as a scintillator medium for neutron detection applications. The inherently large neutron capture cross-section due to 10B and 6Li isotopes and the ease with which Li2B4O7 can be enriched with these isotopes, combined with the facile inclusion of rare earth dopants (occupying the Li+ sites), are expected to improve the luminescent properties, as well as the neutron detection efficiency, of Li2B4O7. The electronic structure of both doped …
Anomaly Detection In The Molecular Structure Of Gallium Arsenide Using Convolutional Neural Networks, Timothy Roche *, Aihua W. Wood, Philip Cho *, Chancellor Johnstone
Anomaly Detection In The Molecular Structure Of Gallium Arsenide Using Convolutional Neural Networks, Timothy Roche *, Aihua W. Wood, Philip Cho *, Chancellor Johnstone
Faculty Publications
This paper concerns the development of a machine learning tool to detect anomalies in the molecular structure of Gallium Arsenide. We employ a combination of a CNN and a PCA reconstruction to create the model, using real images taken with an electron microscope in training and testing. The methodology developed allows for the creation of a defect detection model, without any labeled images of defects being required for training. The model performed well on all tests under the established assumptions, allowing for reliable anomaly detection. To the best of our knowledge, such methods are not currently available in the open …
Intrinsic Point Defects (Vacancies And Antisites) In Cdgep2 Crystals, Timothy D. Gustafson, Nancy C. Giles, Peter G. Schunemann, Kevin T. Zawilski, Kent L. Averett, Jonathan E. Slagle, Larry E. Halliburton
Intrinsic Point Defects (Vacancies And Antisites) In Cdgep2 Crystals, Timothy D. Gustafson, Nancy C. Giles, Peter G. Schunemann, Kevin T. Zawilski, Kent L. Averett, Jonathan E. Slagle, Larry E. Halliburton
Faculty Publications
Cadmium germanium diphosphide (CdGeP2) crystals, with versatile terahertz-generating properties, belong to the chalcopyrite family of nonlinear optical materials. Other widely investigated members of this family are ZnGeP2 and CdSiP2. The room-temperature absorption edge of CdGeP2 is near 1.72 eV (720 nm). Cadmium vacancies, phosphorous vacancies, and germanium-on-cadmium antisites are present in as-grown CdGeP2 crystals. These unintentional intrinsic point defects are best studied below room temperature with electron paramagnetic resonance (EPR) and optical absorption. Prior to exposure to light, the defects are in charge states that have no unpaired spins. Illuminating a CdGeP2 …
Measurement Of Proton Light Yield Of Water-Based Liquid Scintillator, E. J. Callaghan, B. L. Goldblum, J. A. Brown, T. A. Laplace, Juan J. Manfredi, M. Yeh, G. D. Orebi Gann
Measurement Of Proton Light Yield Of Water-Based Liquid Scintillator, E. J. Callaghan, B. L. Goldblum, J. A. Brown, T. A. Laplace, Juan J. Manfredi, M. Yeh, G. D. Orebi Gann
Faculty Publications
The proton light yield of liquid scintillators is an important property in the context of their use in large-scale neutrino experiments, with direct implications for neutrino-proton scattering measurements and the discrimination of fast neutrons from inverse β-decay coincidence signals. This work presents the first measurement of the proton light yield of a water-based liquid scintillator (WbLS) formulated from 5% linear alkyl benzene (LAB), at energies below 20 MeV, as well as a measurement of the proton light yield of a pure LAB + 2 g/L 2,5-diphenyloxazole (PPO) mixture (LABPPO). The measurements were performed using a double time-of-flight method and a …
Helium Nanodroplets As An Efficient Tool To Investigate Hydrogen Attachment To Alkali Cations, Siegfried Kollotzek, José Campos-Martínez, Massimiliano Bartolomei, Fernando Pirani, Lukas Tiefenthaler, Marta I. Hernández, Teresa Lázaro, Eva Zunzunegui-Bru, Tomás González-Lezana, José Bretón, Javier Hernández-Rojas, Olof E. Echt, Paul Scheier
Helium Nanodroplets As An Efficient Tool To Investigate Hydrogen Attachment To Alkali Cations, Siegfried Kollotzek, José Campos-Martínez, Massimiliano Bartolomei, Fernando Pirani, Lukas Tiefenthaler, Marta I. Hernández, Teresa Lázaro, Eva Zunzunegui-Bru, Tomás González-Lezana, José Bretón, Javier Hernández-Rojas, Olof E. Echt, Paul Scheier
Faculty Publications
We report a novel method to reversibly attach and detach hydrogen molecules to positively charged sodium clusters formed inside a helium nanodroplet host matrix. It is based on the controlled production of multiply charged helium droplets which, after picking up sodium atoms and exposure to H2 vapor, lead to the formation of Nam+(H2)n clusters, whose population was accurately measured using a time-of-flight mass spectrometer. The mass spectra reveal particularly favorable Na+(H2)n and Na2+(H2)n clusters for specific “magic” numbers of attached hydrogen molecules. …
Solvation Of Large Polycyclic Aromatic Hydrocarbons In Helium: Cationic And Anionic Hexabenzocoronene, Miriam Kappe, Florent Calvo, Johannes Schöntag, Holger F. Bettinger, Serge Krasnokutski, Martin Kuhn, Elisabeth Gruber, Fabio Zappa, Paul Scheier, Olof E. Echt
Solvation Of Large Polycyclic Aromatic Hydrocarbons In Helium: Cationic And Anionic Hexabenzocoronene, Miriam Kappe, Florent Calvo, Johannes Schöntag, Holger F. Bettinger, Serge Krasnokutski, Martin Kuhn, Elisabeth Gruber, Fabio Zappa, Paul Scheier, Olof E. Echt
Faculty Publications
The adsorption of helium on charged hexabenzocoronene (Hbc, C42H18), a planar polycyclic aromatic hydrocarbon (PAH) molecule of D6h symmetry, is investigated by a combination of high-resolution mass spectrometry and classical and quantum computational methods. The ion abundance of HenHbc+ complexes versus size n features prominent local anomalies at n = 14, 38, 68, 82, and a weak one at 26, indicating that for these “magic” sizes the helium evaporation energies are relatively large. Surprisingly, mass spectra of anionic HenHbc– complexes feature a different set of anomalies, namely at …
Adsorption Of Helium And Hydrogen On Triphenylene And 1,3,5-Triphenylbenzene, Bergmeister Bergmeister, Kollotzek Kollotzek, Florent Calvo, Elisabeth Gruber, Fabio Zappa, Paul Scheier, Olof E. Echt
Adsorption Of Helium And Hydrogen On Triphenylene And 1,3,5-Triphenylbenzene, Bergmeister Bergmeister, Kollotzek Kollotzek, Florent Calvo, Elisabeth Gruber, Fabio Zappa, Paul Scheier, Olof E. Echt
Faculty Publications
The adsorption of helium or hydrogen on cationic triphenylene (TPL, C18H12), a planar polycyclic aromatic hydrocarbon (PAH) molecule, and of helium on cationic 1,3,5-triphenylbenzene (TPB, C24H18), a propeller-shaped PAH, is studied by a combination of high-resolution mass spectrometry and classical and quantum computational methods. Mass spectra indicate that HenTPL+ complexes are particularly stable if n = 2 or 6, in good agreement with the quantum calculations which show that for these sizes the helium atoms are strongly localized on either side of the central carbon ring for n = …
Feasibility Of Obtaining Surface Layer Moisture Flux Using An Ir Thermometer, Steven T. Fiorino, Lance Todorowski, Jaclyn Schmidt, Yogendra Raut, Jacob Margraf
Feasibility Of Obtaining Surface Layer Moisture Flux Using An Ir Thermometer, Steven T. Fiorino, Lance Todorowski, Jaclyn Schmidt, Yogendra Raut, Jacob Margraf
Faculty Publications
This paper evaluates the feasibility of a method using a single hand-held infrared (IR) thermometer and a mini tower of wet and dry paper towels to psychometrically obtain surface layer temperature and moisture gradients and fluxes. Sling Psychrometers have long been standard measuring devices for quantifying the thermodynamics of near-surface atmospheric gas–vapor mixtures, specifically moisture parameters. However, these devices are generally only used to measure temperature and humidity at one near-surface level. Multiple self-aspirating psychrometers can be used in a vertical configuration to measure temperature and moisture gradients and fluxes in the first 1–2 m of the surface layer. This …
Stabilization Of Phenanthrene Anions In Helium Nanodroplets, Siegfried Kollotzek, Farhad Izadi, Miriam Meyer, Stefan Bergmeister, Fabio Zappa, Stephan Denifl, Olof E. Echt, Paul Scheier, Elisabeth Gruber
Stabilization Of Phenanthrene Anions In Helium Nanodroplets, Siegfried Kollotzek, Farhad Izadi, Miriam Meyer, Stefan Bergmeister, Fabio Zappa, Stephan Denifl, Olof E. Echt, Paul Scheier, Elisabeth Gruber
Faculty Publications
It has been debated for years if the polycyclic aromatic hydrocarbon phenanthrene exists in its anionic form, or, in other words, if its electron affinity (EA) is positive or negative. In this contribution we confirm that the bare phenanthrene anion Ph- created in a binary collision with an electron at room temperature has a lifetime shorter than microseconds. However, the embedding of neutral phenanthrene molecules in negatively charged helium nanodroplets enables the formation of phenanthrene anions by charge transfer processes and the stabilization of the latter in the ultracold environment. Gentle shrinking of the helium matrix of phenanthrene-doped HNDs …
Phenanthrene: Establishing Lower And Upper Bounds To The Binding Energy Of A Very Weakly Bound Anion, Elisabeth Gruber, Siegfried Kollotzek, Stefan Bergmeister, Fabio Zappa, Milan Ončák, Paul Scheier, Olof E. Echt
Phenanthrene: Establishing Lower And Upper Bounds To The Binding Energy Of A Very Weakly Bound Anion, Elisabeth Gruber, Siegfried Kollotzek, Stefan Bergmeister, Fabio Zappa, Milan Ončák, Paul Scheier, Olof E. Echt
Faculty Publications
Quite a few molecules do not form stable anions that survive the time needed for their detection; their electron affinities (EA) are either very small or negative. How does one measure the EA if the anion cannot be observed? Or, at least, can one establish lower and upper bounds to their EA? We propose two approaches that provide lower and upper bounds. We choose the phenanthrene (Ph) molecule whose EA is controversial. Through competition between helium evaporation and electron detachment in HenPh- clusters, formed in helium nanodroplets, we estimate the lower bound of the vertical detachment energy …
Cu2+ And Cu3+ Acceptors In Β-Ga2O3 Crystals: A Magnetic Resonance And Optical Absorption Study, Timothy D. Gustafson, Nancy C. Giles, Brian C. Holloway, Christopher A. Lenyk, J. Jesenovec, J. S. Mccloy, M. D. Mccluskey, Larry E. Halliburton
Cu2+ And Cu3+ Acceptors In Β-Ga2O3 Crystals: A Magnetic Resonance And Optical Absorption Study, Timothy D. Gustafson, Nancy C. Giles, Brian C. Holloway, Christopher A. Lenyk, J. Jesenovec, J. S. Mccloy, M. D. Mccluskey, Larry E. Halliburton
Faculty Publications
Electron paramagnetic resonance (EPR) and optical absorption are used to characterize Cu2+ (3d9) and Cu3+ (3d8) ions in Cu-doped β-Ga2O3. These Cu ions are singly ionized acceptors and neutral acceptors, respectively (in semiconductor notation, they are Cu− and Cu0 acceptors). Two distinct Cu2+ EPR spectra are observed in the as-grown crystals. We refer to them as Cu2+(A) and Cu2+(B). Spin-Hamiltonian parameters (a g matrix and a 63,65Cu hyperfine matrix) are obtained from the angular dependence of each spectrum. Additional electron-nuclear double resonance …
Development Of Advanced Machine Learning Models For Analysis Of Plutonium Surrogate Optical Emission Spectra, Ashwin P. Rao, Phillip R. Jenkins, John D. Auxier Ii, Michael B. Shattan, Anil Patnaik
Development Of Advanced Machine Learning Models For Analysis Of Plutonium Surrogate Optical Emission Spectra, Ashwin P. Rao, Phillip R. Jenkins, John D. Auxier Ii, Michael B. Shattan, Anil Patnaik
Faculty Publications
This work investigates and applies machine learning paradigms seldom seen in analytical spectroscopy for quantification of gallium in cerium matrices via processing of laser-plasma spectra. Ensemble regressions, support vector machine regressions, Gaussian kernel regressions, and artificial neural network techniques are trained and tested on cerium-gallium pellet spectra. A thorough hyperparameter optimization experiment is conducted initially to determine the best design features for each model. The optimized models are evaluated for sensitivity and precision using the limit of detection (LoD) and root mean-squared error of prediction (RMSEP) metrics, respectively. Gaussian kernel regression yields the superlative predictive model with an RMSEP of …
Splashing Of Large Helium Nanodroplets Upon Surface Collisions, Paul Martini, Simon Albertini, Felix Laimer, Miriam Meyer, Michael Gatchell, Olof E. Echt, Fabio Zappa, Paul Scheier
Splashing Of Large Helium Nanodroplets Upon Surface Collisions, Paul Martini, Simon Albertini, Felix Laimer, Miriam Meyer, Michael Gatchell, Olof E. Echt, Fabio Zappa, Paul Scheier
Faculty Publications
In the present work we observe that helium nanodroplets colliding with surfaces can exhibit splashing in a way that is analogous to classical liquids. We use transmission electron microscopy and mass spectrometry to demonstrate that neutral and ionic dopants embedded in the droplets are efficiently backscattered in such events. High abundances of weakly bound He-tagged ions of both polarities indicate a gentle extraction mechanism of these ions from the droplets upon collision with a solid surface. This backscattering process is observed for dopant particles with masses up to 400 kilodaltons, indicating an unexpected mechanism that effectively lowers deposition rates of …
Adsorption Of Helium On A Charged Propeller Molecule: Hexaphenylbenzene, Siegfried Kollotzek, Florent Calvo, Serge Krasnokutski, Fabio Zappa, Paul Scheier, Olof E. Echt
Adsorption Of Helium On A Charged Propeller Molecule: Hexaphenylbenzene, Siegfried Kollotzek, Florent Calvo, Serge Krasnokutski, Fabio Zappa, Paul Scheier, Olof E. Echt
Faculty Publications
Physisorption on planar or curved graphitic surfaces or aromatic rings has been investigated by various research groups, but in these studies the substrate was usually strictly rigid. Here we report a combined experimental and theoretical study of helium adsorption on cationic hexaphenylbenzene (HPB), a propeller-shaped molecule. The orientation of its propeller blades is known to be sensitive to the environment, with substantial differences between the molecule in the gas phase and in the crystalline solid. Mass spectra of HenHPB+, synthesized in helium nanodroplets, indicate enhanced stability for ions containing n = 2, 4, 14, 28, 42, …
Optically Active Selenium Vacancies In Baga4Se7 Crystals, Brian C. Holloway, Timothy D. Gustafson, Christopher A. Lenyk, Nancy C. Giles, Kevin T. Zawilski, Peter G. Schunemann, Kent L. Averett, Larry E. Halliburton
Optically Active Selenium Vacancies In Baga4Se7 Crystals, Brian C. Holloway, Timothy D. Gustafson, Christopher A. Lenyk, Nancy C. Giles, Kevin T. Zawilski, Peter G. Schunemann, Kent L. Averett, Larry E. Halliburton
Faculty Publications
Barium gallium selenide (BaGa4Se7) is a recently developed nonlinear optical material with a transmission window extending from 470 nm to 17 μm. A primary application of these crystals is the production of tunable mid-infrared laser beams via optical parametric oscillation. Unintentional point defects, such as selenium vacancies, cation vacancies (barium and/or gallium), and trace amounts of transition-metal ions, are present in BaGa4Se7 crystals and may adversely affect device performance. Electron paramagnetic resonance (EPR) and optical absorption are used to identify and characterize these defects. Five distinct EPR spectra, each representing an electron …
Beam Formation And Vernier Steering Off Of A Rough Surface, Eric K. Nagamine, Kenneth W. Burgi, Samuel D. Butler
Beam Formation And Vernier Steering Off Of A Rough Surface, Eric K. Nagamine, Kenneth W. Burgi, Samuel D. Butler
Faculty Publications
Wavefront shaping can refocus light after it reflects from an optically rough surface. One proposed use case of this effect is in indirect imaging; if any rough surface could be turned into an illumination source, objects out of the direct line of sight could be illuminated. In this paper, we demonstrate the superior performance of a genetic algorithm compared to other iterative feedback-based wavefront shaping algorithms in achieving reflective inverse diffusion for a focal plane system. Next, the ability to control the pointing direction of the refocused beam with high precision over a narrow angular range is demonstrated, though the …
Complexes With Atomic Gold Ions: Efficient Bisligand Formation, Felix Duensing, Elisabeth Gruber, Paul Martini, Marcelo Goulart, Michael Gatchell, Bilal Rasul, Olof E. Echt, Fabio Zappa, Masoomeh Mahmoodi-Darian, Paul Scheier
Complexes With Atomic Gold Ions: Efficient Bisligand Formation, Felix Duensing, Elisabeth Gruber, Paul Martini, Marcelo Goulart, Michael Gatchell, Bilal Rasul, Olof E. Echt, Fabio Zappa, Masoomeh Mahmoodi-Darian, Paul Scheier
Faculty Publications
Complexes of atomic gold with a variety of ligands have been formed by passing helium nanodroplets (HNDs) through two pickup cells containing gold vapor and the vapor of another dopant, namely a rare gas, diatomic molecule (H2, N2, O2, I2, P2), or various polyatomic molecules (H2O, CO2, SF6, C6H6, adamantane, imidazole, di-cyclopentadiene, and fullerene). The doped HNDs were irradiated by electrons; ensuing cations were identified in a high-resolution mass spectrometer. Anions were detected for benzene, di-cyclopentadiene, and fullerene. For most …
Single-Shot Positron Annihilation Lifetime Spectroscopy Using A Liquid Scintillator, Joshua R. Machacek, Shawn Mctaggart, Larry W. Burggraf
Single-Shot Positron Annihilation Lifetime Spectroscopy Using A Liquid Scintillator, Joshua R. Machacek, Shawn Mctaggart, Larry W. Burggraf
Faculty Publications
Liquid scintillators provide a fast, single component response. However, they traditionally have a low flashpoint and high vapor pressure. We demonstrate the use of an EJ-309 scintillator (high flashpoint and low vapor pressure variant) to acquire single-shot positron annihilation lifetime spectroscopy spectra using a trap-based positron beam.
Sf6+: Stabilizing Transient Ions In Helium Nanodroplets, Simon Albertini, Stefan Bergmeister, Felix Laimer, Paul Martini, Elisabeth Gruber, Fabio Zappa, Milan Ončák, Paul Scheier, Olof E. Echt
Sf6+: Stabilizing Transient Ions In Helium Nanodroplets, Simon Albertini, Stefan Bergmeister, Felix Laimer, Paul Martini, Elisabeth Gruber, Fabio Zappa, Milan Ončák, Paul Scheier, Olof E. Echt
Faculty Publications
There are myriads of ions that are deemed too short-lived to be experimentally accessible. One of them is SF6+. It has never been observed, although not for lack of trying. We demonstrate that long-lived SF6+ can be formed by doping charged helium nanodroplets (HNDs) with sulfur hexafluoride; excess helium is then gently stripped from the doped HNDs by collisions with helium gas. The ion is identified by high-resolution mass spectrometry (resolution m/Dm = 15000), the close agreement between the expected and observed yield of ions that contain minor sulfur isotopes, and collision-induced dissociation …
Electronic Transitions In Rb2+ Dimers Solvated In Helium, Simon Albertini, Paul Martini, Arne Schiller, Harald Schöbel, Elham Ghavidel, Milan Ončák, Olof E. Echt, Paul Scheier
Electronic Transitions In Rb2+ Dimers Solvated In Helium, Simon Albertini, Paul Martini, Arne Schiller, Harald Schöbel, Elham Ghavidel, Milan Ončák, Olof E. Echt, Paul Scheier
Faculty Publications
We have measured depletion spectra of the heteronuclear (85Rb87Rb+) dimer cation complexed with up to 10 He atoms. Two absorption bands are observed between 920 and 250 nm. The transition into the repulsive 12Sigmau+ state of HeRb2+ gives rise to a broad feature at 790 nm (12650 cm–1); it exhibits a blueshift of 98 cm–1 per added He atom. The transition into the bound 1 2Piu state of HeRb2+ reveals vibrational structure with a band head at < 15522 cm–1, a harmonic …
Photoinduced Trapping Of Charge At Sulfur Vacancies And Copper Ions In Photorefractive Sn2P2S6 Crystals, Timothy D. Gustafson, Eric M. Golden, Elizabeth M. Scherrer, Nancy C. Giles, A. A. Grabar, Sergey A. Basun, Jonathan E. Slagle, Larry E. Halliburton
Photoinduced Trapping Of Charge At Sulfur Vacancies And Copper Ions In Photorefractive Sn2P2S6 Crystals, Timothy D. Gustafson, Eric M. Golden, Elizabeth M. Scherrer, Nancy C. Giles, A. A. Grabar, Sergey A. Basun, Jonathan E. Slagle, Larry E. Halliburton
Faculty Publications
Electron paramagnetic resonance (EPR) is used to monitor photoinduced changes in the charge states of sulfur vacancies and Cu ions in tin hypothiodiphosphate. A Sn2P2S6 crystal containing Cu+ (3d10) ions at Sn2+ sites was grown by the chemical vapor transport method. Doubly ionized sulfur vacancies (V2+S) are also present in the as-grown crystal (where they serve as charge compensators for the Cu+ ions). For temperatures below 70 K, exposure to 532 or 633 nm laser light produces stable Cu2+ (3d9) ions, as electrons move from Cu+ ions to …
3-D Fabry–Pérot Cavities Sculpted On Fiber Tips Using A Multiphoton Polymerization Process, Jonathan W. Smith, Jeremiah C. Williams, Joseph S. Suelzer, Nicholas G. Usechak, Hengky Chandrahalim
3-D Fabry–Pérot Cavities Sculpted On Fiber Tips Using A Multiphoton Polymerization Process, Jonathan W. Smith, Jeremiah C. Williams, Joseph S. Suelzer, Nicholas G. Usechak, Hengky Chandrahalim
Faculty Publications
This paper presents 3-D Fabry–Pérot (FP) cavities fabricated directly onto cleaved ends of low-loss optical fibers by a two-photon polymerization (2PP) process. This fabrication technique is quick, simple, and inexpensive compared to planar microfabrication processes, which enables rapid prototyping and the ability to adapt to new requirements. These devices also utilize true 3-D design freedom, facilitating the realization of microscale optical elements with challenging geometries. Three different device types were fabricated and evaluated: an unreleased single-cavity device, a released dual-cavity device, and a released hemispherical mirror dual-cavity device. Each iteration improved the quality of the FP cavity's reflection spectrum. The …
A Fully Quantum Calculation Of Broadening And Shifting Coefficients Of The D1 And D2 Spectral Lines Of Alkali-Metal Atoms Colliding With Noble-Gas Atoms, Robert D. Loper, David E. Weeks
A Fully Quantum Calculation Of Broadening And Shifting Coefficients Of The D1 And D2 Spectral Lines Of Alkali-Metal Atoms Colliding With Noble-Gas Atoms, Robert D. Loper, David E. Weeks
Faculty Publications
We use the Baranger model to compute collisional broadening and shift rates for the D1 and D2 spectral lines of M + Ng, where M = K, Rb, Cs and Ng = He, Ne, Ar. Scattering matrix elements are calculated using the channel packet method, and non-adiabatic wavepacket dynamics are determined using the split-operator method together with a unitary transformation between adiabatic and diabatic representations. Scattering phase shift differences are weighted thermally and are integrated over temperatures ranging from 100 K to 800 K. We find that predicted broadening rates compare well with experiment, but shift rates are …
Applications Of Portable Libs For Actinide Analysis, Ashwin P. Rao, John D. Auxier Ii, Dung Vu, Michael B. Shattan
Applications Of Portable Libs For Actinide Analysis, Ashwin P. Rao, John D. Auxier Ii, Dung Vu, Michael B. Shattan
Faculty Publications
A portable LIBS device was used for rapid elemental impurity analysis of plutonium alloys. This device demonstrates the potential for fast, accurate in-situ chemical analysis and could significantly reduce the fabrication time of plutonium alloys.
Experimental Determination Of The (0/−) Level For Mg Acceptors In Β-Ga2O3 Crystals, Christopher A. Lenyk, Trevor A . Gustafson, Sergey A. Basun, Larry E. Halliburton, Nancy C. Giles
Experimental Determination Of The (0/−) Level For Mg Acceptors In Β-Ga2O3 Crystals, Christopher A. Lenyk, Trevor A . Gustafson, Sergey A. Basun, Larry E. Halliburton, Nancy C. Giles
Faculty Publications
Electron paramagnetic resonance (EPR) is used to experimentally determine the (0/−) level of the Mg acceptor in an Mg-doped β-Ga2O3 crystal. Our results place this level 0.65 eV (±0.05 eV) above the valence band, a position closer to the valence band than the predictions of several recent computational studies. The crystal used in this investigation was grown by the Czochralski method and contains large concentrations of Mg acceptors and Ir donors, as well as a small concentration of Fe ions and an even smaller concentration of Cr ions. Below room temperature, illumination with 325 nm laser light …
Near-Infrared-Sensitive Photorefractive Sn2P2S6 Crystals Grown By The Bridgman Method, O. M. Shumelyuk, A. Y. Volkov, Y. Skrypka, Larry E. Halliburton, Nancy C. Giles, Christopher A. Lenyk, Sergey A. Basun, A. A. Grabar, Y. M. Vysochansky, S. G. Odoulov, D. R. Evans
Near-Infrared-Sensitive Photorefractive Sn2P2S6 Crystals Grown By The Bridgman Method, O. M. Shumelyuk, A. Y. Volkov, Y. Skrypka, Larry E. Halliburton, Nancy C. Giles, Christopher A. Lenyk, Sergey A. Basun, A. A. Grabar, Y. M. Vysochansky, S. G. Odoulov, D. R. Evans
Faculty Publications
Ferroelectric tin hypothiodiphosphate (Sn2P2S6) crystals are well-known for their significant piezoelectric, electro-optic, and nonlinear optical properties. These crystals have usually been grown by a vapor transport technique. We report in this paper on the first study of photorefractive nonlinearity in Sn2P2S6 crystals grown by the Bridgman method. Pronounced photorefraction is observed in the near-infrared region of the spectrum even with no preliminary optical sensitizing.
Radiation-Induced Electron And Hole Traps In Ge1-XSnX (X = 0-0.094), Michael R. Hogsed, Kevin Choe, Norman Miguel, Buguo Wang, John Kouvetakis
Radiation-Induced Electron And Hole Traps In Ge1-XSnX (X = 0-0.094), Michael R. Hogsed, Kevin Choe, Norman Miguel, Buguo Wang, John Kouvetakis
Faculty Publications
The band structure of germanium changes significantly when alloyed with a few percent concentrations of tin, and while much work has been done to characterize and exploit these changes, the corresponding deep-level defect characteristics are largely unknown. In this paper, we investigate the dominant deep-level defects created by 2 MeV proton irradiation in Ge1 -xSnx (x = 0.0, 0.020, 0.053, 0.069, and 0.094) diodes and determine how the ionization energies of these defects change with tin concentrations. Deep-level transient spectroscopy measurements approximate the ionization energies associated with electron transitions to/from the valence band (hole traps) and conduction band (electron traps) …
Spectroscopic Study On Pseudomonas Aeruginosa Biofilm In The Presence Of The Aptamer-Dna Scaffolded Silver Nanoclusters, Bidisha Sengupta, Prakash Adhikari, Esther Mallet, Ronald Havner, Prabhakar Pradhan
Spectroscopic Study On Pseudomonas Aeruginosa Biofilm In The Presence Of The Aptamer-Dna Scaffolded Silver Nanoclusters, Bidisha Sengupta, Prakash Adhikari, Esther Mallet, Ronald Havner, Prabhakar Pradhan
Faculty Publications
We report the effectiveness of silver nanocluster (Ag-NC) against the biofilm of Pseudomonas aeruginosa (PA). Two DNA aptamers specific for PA and part of their sequences were chosen as templates for growing the Ag-NC. While circular dichroism (CD) studies determined the presence of secondary structures, UV/Vis absorption, and fluorescence spectroscopic studies confirmed the formation of the fluorescent Ag-NC on the DNA templates. Furthermore, mesoscopic physics-based partial wave spectroscopy (PWS) was used to analyze the backscattered light signal that can detect the degree of nanoscale mass density/refractive index fluctuations to identify the biofilm formation, comparatively among the different aptamers with respect …
Analytic Non-Adiabatic Derivative Coupling Terms For Spin-Orbit Mrci Wavefunctions. I. Formalism, Lachlan T. Belcher, Gary S. Kedziora, David E. Weeks
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
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....