Physical Sciences and Mathematics Commons^™

Spectra Of Atmospheric And Astronomical Molecules, W. D. Cameron

Physics Theses & Dissertations

Spectroscopy techniques are focused on spectra of molecules of interest to the Earth’s atmosphere and/or astronomy and astrophysics. Laboratory spectroscopy as well as remote satellite sensing are applied. Using the Fourier transform spectrometer aboard the Atmospheric Chemistry Experiment (ACE) satellite to measure the absorption spectra of the Earth’s atmosphere through solar occultation limb observation demonstrates that volcanic eruption plumes can be located and tracked through their SO₂ content. The presence of those plumes is corroborated by overlaying infrared atmospheric aerosol extinction observed by the 1 μm imager on the same satellite. Tracking atmospheric aerosol movement with the ACE …

Ml-Based Surrogates And Emulators, Tareq Alghamdi, Yaohang Li, Nobuo Sato

College of Sciences Posters

No abstract provided.

Development Of High Quantum Efficiency Strained Superlattice Spin Polarized Photocathodes Via Metal Organic Chemical Vapor Deposition, Benjamin Belfore

Electrical & Computer Engineering Theses & Dissertations

Spin polarized photocathodes are necessary to examine parity violations and other fundamental phenomena in the field of high energy physics. To create these devices, expensive and complicated growth processes are necessary. While integral to accelerator physics, spin polarized electrons could have other exciting applications in materials science and other fields of physics. In order to explore these other applications feasibly, the relative supply of spin polarized photocathodes with a high rate of both polarization and photoemission needs to be increased. One such way to increase this supply is to develop the means to grow them faster and at a larger …

Experimental Investigation Of All-Optical Production Of Metastable Krypton, Joshua Carl Frechem

Physics Theses & Dissertations

Metastable production of noble gases requires significant energy due to their filled valence shells. These transitions from the ground state are in the vacuum ultraviolet and extreme ultraviolet, which are relatively inaccessible to lasers. This necessitates the use of either electron/ion bombardment via inefficient glow discharges or the use of high-power lasers and nonlinear processes. The all-optical production efficiency using these high-power lasers promises to be orders of magnitude higher than glow discharges, but far more costly. This work looks to improve all-optical production of metastable krypton (Kr*) through the use of a commercially available vacuum ultraviolet lamp with a …

A Local Mode Study Of Ring Puckering Effects In The Infrared Spectra Of Cyclopentane, Edwin L. Sibert Iii, Peter F. Bernath

Chemistry & Biochemistry Faculty Publications

We report and interpret recently recorded high-resolution infrared spectra for the fundamentals of the CH₂ scissors and CH stretches of gas phase cyclopentane at −26.1 and −50 ^○C, respectively. We extend previous theoretical studies of this molecule, which is known to undergo barrierless pseudorotation due to ring puckering, by constructing local mode Hamiltonians of the stretching and scissor vibrations for which the frequencies, couplings, and linear dipoles are calculated as functions of the pseudorotation angle using B3LYP/6-311++(d,p) and MP2/cc-pVTZ levels of theory. Symmetrization (D_5h) of the vibrational basis sets leads to simple vibration/pseudorotation Hamiltonians whose solutions …

The Hitran2020 Molecular Spectroscopic Database, I. E. Gordon, L. S. Rothman, R. J. Hargreaves, R. Hashemi, E. V. Karlovets, F. M. Skinner, E. K. Conway, C. Hill, R. V. Kochanov, Y. Tan, P. Wcisło, A.A. Finenko, K. Nelson, P. F. Bernath, M. Birk, V. Boudon, A. Campargue, K. V. Chance, A. Coustenis, B. J. Drouin, J.-M. Flaud, R. R. Gamache, J. T. Hodges, D. Jacquemart, E. J. Mlawer, A. V. Nikitin, V.I. Perevalov, M. Rotger, J. Tennyson, G. C. Toon, H. Tran, V. G. Tyuterev, E. M. Adkins, A. Baker, A. Barbe, E. Canè, A. G. Császár, A. Dudaryonok, O. Egorov, A. J. Fleisher, H. Fleurbaey, A. Foltynowicz, T. Furtenbacher, J. J. Harrison, J.M. Hartmann, V.- M. Horneman, X. Huang, T. Karman, J. Karns, S. Kassi, I. Kleiner, V. Kofman, F. Kwabia-Tchana, N.N. Lavrentieva, T. J. Lee, D. A. Long, A. A. Lukashevskaya, O. M. Lyulin, V. Yu Makhnev, W. Matt, S. T. Massie, M. Melosso, S. N. Mikhailenko, D. Mondelain, H.S.P. Müller, O. V. Naumenko, A. Perrin, O. L. Polyansky, E. Raddaoui, P. L. Raston, Z. D. Reed, M. Rey, C. Richard, R. Tóbiás, I. Sadiek, D. W. Schwenke, E. Starikova, K. Sung, F. Tamassia, S. A. Tashkun, J. Vander Auwera, I.A. Vasilenko, A.A. Vigasin, G.L. Villanueva, B. Vispoel, G. Wagner, A. Yachmenev, S. N. Yurchenko

Chemistry & Biochemistry Faculty Publications

The HITRAN database is a compilation of molecular spectroscopic parameters. It was established in the early 1970s and is used by various computer codes to predict and simulate the transmission and emission of light in gaseous media (with an emphasis on terrestrial and planetary atmospheres). The HITRAN compilation is composed of five major components: the line-by-line spectroscopic parameters required for high-resolution radiative-transfer codes, experimental infrared absorption cross-sections (for molecules where it is not yet feasible for representation in a line-by-line form), collision-induced absorption data, aerosol indices of refraction, and general tables (including partition sums) that apply globally to the data. …

Coupled Dynamics Of Spin Qubits In Optical Dipole Microtraps: Application To The Error Analysis Of A Rydberg-Blockade Gate, L. V. Gerasimov, R. R. Yusupov, A. D. Moiseevsky, I. Vybornyi, K. S. Tikhonov, S. P. Kulik, S. S. Straupe, Charles I. Sukenik, D. V. Kupriyanov

Physics Faculty Publications

Single atoms in dipole microtraps or optical tweezers have recently become a promising platform for quantum computing and simulation. Here we report a detailed theoretical analysis of the physics underlying an implementation of a Rydberg two-qubit gate in such a system—a cornerstone protocol in quantum computing with single atoms. We focus on a blockade-type entangling gate and consider various decoherence processes limiting its performance in a real system. We provide numerical estimates for the limits on fidelity of the maximally entangled states and predict the full process matrix corresponding to the noisy two-qubit gate. We consider different excitation geometries and …

Direct Visualization Of 3-Dimensional Force And Energy Map Of A Single Molecular Switch, Abeykoon Mudiyanselage Shashika Darshani Wijerathna, Zaw Myo Win, K. Z. Latt, Yang Li, A. T. Ngo, L. Curtiss, R. Zhang, S. W. Hla, Y. Zhang

College of Sciences Posters

Mechanical properties of molecules adsorbed on materials surfaces are increasingly vital for the applications of molecular thin films. Here, we conduct a fundamental research to induce conformational change mechanically on a single molecule and quantify the driving force needed for such molecular shape switch via a low temperature (~ 5K) Scanning Tunneling Microscope (STM) and Qplus Atomic Force Microscope (Q+AFM). Our measurement maps a three-dimensional landscape for mechanical potential and force at single molecule level with high spatial resolution in all three dimensions of a few angstrom (10^-10 m).

Molecule TBrPP-Co (a cobalt porphyrin) deposited on an atomically clean …

Two- And Three-Nucleon Contact Interactions And Ground-State Energies Of Light- And Medium-Mass Nuclei, R. Schiavilla, L. Girlanda, A. Gnech, A. Kievsky, A. Lovato, L. E. Marcucci, M. Piarulli, M. Viviani

Physics Faculty Publications

Classes of two-nucleon (2N) contact interactions are developed in configuration space at leading order (LO), next-to-leading order (NLO), and next-to-next-to-next-to-leading order (N3LO) by fitting the experimental singlet np scattering length and deuteron binding energy at LO, and np and pp scattering data in the laboratory-energy ranges 0–15 MeV at NLO and 0–25 MeV at N3LO. These interactions are regularized by including two Gaussian cutoffs, one for T=0 and the other for T=1 channels. The cutoffs are taken to vary in the ranges R₀=(1.5–2.3) fm and R₁=(1.5–3.0) fm. The 780 (1100) data points up to …

Simulating Electron Impact Ionization Using A General Particle Tracer (Gpt) Custom Element, J.T. Yoskowitz, G.A. Krafft, S.B. Van Der Geer, J. Grames, R.M. Soto, C.A.V. Lizarraga

Physics Faculty Publications

A new C++ custom element has been developed with the framework of General Particle Tracer (GPT) to simulate electron impact ionization of residual gas molecules. The custom element uses Monte-Carlo routines to determine both the ion production rate and the secondary electron kinetic energy based on user-defined gas densities and theoretical values for the ionization cross section and the secondary electron differential cross section. It then uses relativistic kinematics to track the secondary electron, the scattered electron, and the newly formed ion after ionization. The ion production rate and the secondary electron energy distribution determined by the custom element have …

Laser Chirping In Inverse Compton Sources At High Electron Beam Energies And High Laser Intensities, Balŝa Terzić, Jeffrey Mckaig, Erik Johnson, Tabin Dharanikota, Geoffrey A. Krafft

Physics Faculty Publications

The onset of nonlinear effects, such as ponderomotive broadening, increases the radiation bandwidth and thereby places a stringent limitation on the laser intensity used in inverse Compton sources. Recently, we have shown that a judicious longitudinal laser frequency modulation ("chirping") can perfectly compensate for this ponderomotive broadening and restore the narrow band property of scattered radiation in the Thomson regime, when electron recoil during the collision with the laser can be neglected. Consequently, using QED, the laser chirping has been extended to the Compton regime, where electron recoil is properly accounted for. Here we present a new, semiclassical model for …

One-Dimensional Lateral Force Anisotropy At The Atomic Scale In Sliding Single Molecules On A Surface, Yuan Zhang, Daniel J. Trainer, Badri Narayanan, Yang Li, Anh T. Ngo, Sushila Khadka, Arnab Neogi, Brandon Fisher, Larry A. Curtiss, Subramanian K.R.S. Sankaranarayanan, Saw Wai Hla

Physics Faculty Publications

Using a q+ atomic force microscopy at low temperature, a sexiphenyl molecule is slid across an atomically flat Ag(111) surface along the direction parallel to its molecular axis and sideways to the axis. Despite identical contact area and underlying surface geometry, the lateral force required to move the molecule in the direction parallel to its molecular axis is found to be about half of that required to move it sideways. The origin of the lateral force anisotropy observed here is traced to the one-dimensional shape of the molecule, which is further confirmed by molecular dynamics simulations. We also demonstrate that …

Environmental Modifications Of Atomic Properties: The Ground And 1s2p Excited States Of Compressed Helium, N. C. Pyper, T. C. Naginey, Colm T. Whelan

Physics Faculty Publications

Atoms remaining as recognizably distinct constituents of bulk condensed phases can have properties modified from those of the isolated species. Dense helium bubbles at high pressures are a common form of radiation damage degrading the mechanical and electrical properties of host materials. Detailed knowledge is critical for predicting their long term performance. Modifications of the ground and first singlet excited states of confined compressed helium are investigated using an entirely non-empirical theory based on the results of ab initio self-consistent field calculations with corrections for the effects of electron correlation. For finite sized portions representing bulk condensed fcc and bcc …

Combining Cryo-Em Density Map And Residue Contact For Protein Secondary Structure Topologies, Maytha Alshammari, Jing He

Computer Science Faculty Publications

Although atomic structures have been determined directly from cryo-EM density maps with high resolutions, current structure determination methods for medium resolution (5 to 10 Å) cryo-EM maps are limited by the availability of structure templates. Secondary structure traces are lines detected from a cryo-EM density map for α-helices and β-strands of a protein. A topology of secondary structures defines the mapping between a set of sequence segments and a set of traces of secondary structures in three-dimensional space. In order to enhance accuracy in ranking secondary structure topologies, we explored a method that combines three sources of information: a set …

Molecular Spectroscopy: A Study Of Molecules In Earth And Planetary Atmospheres, Mahdi Yousefi Atashgah

Physics Theses & Dissertations

The four most abundant isotopologues (N₂O, ¹⁵NNO, N¹⁵NO, and NN¹⁸O) of nitrous oxide have been measured in the Earth's atmosphere by infrared remote sensing with the Atmospheric Chemistry Experiment (ACE) Fourier transform spectrometer. These satellite observations have provided a near global picture of N₂O isotopic fractionation. The relative abundance of the heavier isotopologues increase with altitude and with latitude in the stratosphere as the air becomes older.

Near global 85°S{85°N atmospheric measurement of carbonyl sulfide (OCS), including the minor OC³⁴S and O¹³CS isotopologues, were made by the …

Optical-Depth Scaling Of Light Scattering From A Dense And Cold Atomic 87Rb Gas, K. J. Kemp, S. J. Roof, M. D. Havey, I. M. Sokolov, D. V. Kupriyanov, W. Guerin

Physics Faculty Publications

We report investigation of near-resonance light scattering from a cold and dense atomic gas of ⁸⁷Rb atoms. Measurements are made for probe frequencies tuned near the F=2→ F'=3 nearly closed hyperfine transition, with particular attention paid to the dependence of the scattered light intensity on detuning from resonance, the number of atoms in the sample, and atomic sample size. We find that, over a wide range of experimental variables, the optical depth of the atomic sample serves as an effective single scaling parameter which describes well all the experimental data.

Novel Observation Of Isospin Structure Of Short-Range Correlations In Calcium Isotopes, D. Nguyen, Z. Ye, Lawrence Weinstein, X. Zheng, P. Zhu, R. Zielinski, Et Al., Jefferson Lab Hall A Collaboration

Physics Faculty Publications

Short-range correlations (SRCs) have been identified as being responsible for the high-momentum tail of the nucleon momentum distribution, n(k). Hard, short-range interactions of nucleon pairs generate the high-momentum tail and imprint a universal character on n(k) for all nuclei at large momentum. Triple coincidence experiments have shown a strong dominance of np pairs, but these measurements involve large final-state interactions. This paper presents the results from Jefferson Lab experiment E08014 which measured inclusive electron scattering cross section from Ca isotopes. By comparing the inclusive cross section from ⁴⁸Ca to ⁴⁰Ca in a kinematic region dominated by SRCs …

Photoproduction Of Η Mesons Off The Proton For 1.2 < EΓ < 4.7 Gev Using Clas At Jefferson Laboratory, K. P. Adhikari, M. J. Amaryan, G. Gavalian, M. Hattawy, M. Khachatryan, J. Poudel, Y. Prok, J. Zhang, Z. W. Zhao, Et Al., Clas Collaboration

Physics Faculty Publications

Photoproduction cross sections are reported for the reaction γp→pη using energy-tagged photons and the CLAS spectrometer at Jefferson Laboratory. The η mesons are detected in their dominant charged decay mode, η→π+π−π0, and results on differential cross sections are presented for incident photon energies between 1.2 and 4.7 GeV. These new η photoproduction data are consistent with earlier CLAS results but extend the energy range beyond the nucleon resonance region into the Regge regime. The normalized angular distributions are also compared with the experimental results from several other experiments, and with predictions of η-MAID 2018 and the latest solution of the …

Measurement Of The Single-Spin Asymmetry A⁰ʸ In Quasi-Elastic ³He↑(E,E'N) Scattering At 0.4 < Q2 < 1.0 Gev/C2, E. Long, Y.W. Zhang, M. Mihovilovic, M. Canan, S. Golge, L. Zhu

Physics Faculty Publications

Due to the lack of free neutron targets, studies of the structure of the neutron are typically made by scattering electrons from either ²H or ³He targets. In order to extract useful neutron information from a ³He target, one must understand how the neutron in a ³He system differs from a free neutron by taking into account nuclear effects such as final state interactions and meson exchange currents. The target single spin asymmetry A⁰ʸ is an ideal probe of such effects, as any deviation from zero indicates effects beyond plane wave impulse approximation. New measurements of the target single spin …

Characterization Of Argon And Ar/Cl2 Plasmas Used For The Processing Of Niobium Superconducting Radio-Frequency Cavities, Jeremy J. Peshl

Physics Theses & Dissertations

The plasma processing of superconducting radio-frequency (SRF) cavities has shown significant promise as a complementary or possible replacement for the current wet etch processes. Empirical relationships between the user-controlled external parameters and the effectiveness of Reactive Ion Etching (RIE) for the removal of surface layers of bulk niobium have been previously established. However, a lack of a physical description of the etching discharge, particularly as the external parameters are varied, limits the development of this technology. A full understanding of how these external parameters affect both the amount of material removed and the physical properties of the plasma would aid …

Optical Excitation Of Metastable Krypton And Photoassociative Spectroscopy Of Ultracold Rbar, Grady R. White

Physics Theses & Dissertations

In this presentation, we discuss results from two separate bodies of work. In the first, we investigate all-optical excitation methods to produce metastable-state krypton. The high energies required to excite rare gases out of their ground state present a unique challenge in the context of laser experiments. Laser physics work with rare gases often relies on excitation within an RF discharge. All-optical excitation is a promising replacement for RF discharges, avoids problems caused by ion production and may eventually allow for higher efficiencies. We examine three separate methods of all-optical metastable-state production: using an ArF excimer laser, using the third …

Measurement Of The Beam Spin Asymmetry Of →Ep → E'P'Η In The Deep-Inelastic Regime With Clas, B. Zhao, A. Kim, K. Joo, I . Bedlinskiy, W. Kim, V. Kubarovsky, M. Ungaro, G. Gavalian, A. Klein, S. E. Kuhn, Clas Collaboration

Physics Faculty Publications

The beam spin asymmetry of the exclusive pseudoscalar channel ^→ep→e′p′η was measured for the first time in the deep-inelastic regime (W > 2 GeV/c² and Q² > 1 GeV² /c²) using a longitudinally polarized 5.78 GeV electron beam at Jefferson Lab with the CEBAF Large Acceptance Spectrometer. The data were accumulated in 144 four-dimensional bins of Q², x_B, −t and ϕ over a wide kinematic range, where ϕ is the azimuthal angle between the lepton and hadron scattering planes, The measured azimuthal dependence with large amplitudes of the sin ϕ moments is …

Drift Chamber Calibration And Particle Identification In The P-349 Experiment, D. Alfs, A. Asaturyan, M. Carmignotto, M. Diermaier, W. Eyrich, B. Glowacz, D. Grzonka, Florian Hauenstein, T. Horn, K. Kilian, D. Lersch, S. Malbrunot-Ettenauer, A. Mkrtchyan, H. Mkrtchyan, P. Moskal, P. Nadel-Turonski, W. Oelert, J. Ritman, T. Sefzick, V. Tadevosyan, E. Widmann, M. Wolke, S. Zhamkochyan, M. Zieliński, A. Zink, J. Zmeskal

Physics Faculty Publications

The goal of the P-349 experiment is to test whether 3.5 GeV/c antiprotons produced in high-energy proton-proton collisions are polarized in view of the preparation of a polarized antiproton beam. In this article, we present the details of the ongoing analysis focused on the drift chambers calibration and particle identification with DIRC.

Argon Metastable And Resonant Level Densities In Ar And Ar/Cl² Discharges Used For The Processing Of Bulk Niobium, Jeremy Peshl, Roderick Mcneill, Charles I. Sukenik, Milka Nikolić, Svetozar Popović, Leposava Vŭsković

Physics Faculty Publications

A comparative analysis of two popular spectroscopy techniques is conducted in a coaxial cylindrical capacitively coupled discharge designed for the plasma processing of superconducting radio frequency (SRF) cavities. The density of the metastable and resonant levels in Ar is measured in both Ar and Ar/Cl₂ discharges to properly characterize the unique discharge system and aid in the development of a cavity etching routine. The first method, deemed the “branching fraction method,” utilizes the sensitivity of photon reabsorption of radiative decay to measure the lower state (metastable and resonant) densities by taking ratios of spectral lines with a common upper …

Current-Driven Production Of Vortex-Antivortex Pairs In Planar Josephson Junction Arrays And Phase Cracks In Long-Range Order, Francisco Estellés-Duart, Miguel Ortuño, Andrés M. Somoza, Valerii M. Vinokur, Alex Gurevich

Physics Faculty Publications

Proliferation of topological defects like vortices and dislocations plays a key role in the physics of systems with long-range order, particularly, superconductivity and superfluidity in thin films, plasticity of solids, and melting of atomic monolayers. Topological defects are characterized by their topological charge reflecting fundamental symmetries and conservation laws of the system. Conservation of topological charge manifests itself in extreme stability of static topological defects because destruction of a single defect requires overcoming a huge energy barrier proportional to the system size. However, the stability of driven topological defects remains largely unexplored. Here we address this issue and investigate numerically …

Catalysis Of Stark-Tuned Interactions Between Ultracold Rydberg Atoms, A. L. Win, W. D. Williams, T. J. Carroll, C. I. Sukenik

Physics Faculty Publications

We have experimentally investigated a catalysis effect in the resonant energy transfer between ultracold ⁸⁵Rb Rydberg atoms. We studied the time dependence of the process, 34p + 34p → 34s + 35s, and observed an enhancement of 34s state population when 34d state atoms are added. We have also performed numerical model simulations, which are in qualitative agreement with experiment and indicate that the enhancement arises from a redistribution of p-state atoms due to the presence of the d-state atoms.

Compensation Of Non-Linear Bandwidth Broadening By Laser Chirping In Thomson Sources, C. Maroli, V. Petrillo, I. Drebot, L, Serafini, B. Terzić, G. A. Krafft

Physics Faculty Publications

A new laser chirping prescription is derived by means of the phase-stationary method for an inci- dent Gaussian laser pulse in conjunction with a Li enard-Wiechert calculation of the scattered radia- tion flux and spectral brilliance. This particularly efficient laser chirp has been obtained using the electric field of the laser and for electrons and radiation on axis. The frequency modulation is some- what reduced with respect to that proposed in the previous literature, allowing the application of this procedure to lasers with larger values of the parameter a₀. Numerical calculations have been performed using mildly focused and …

Fabrication Of An Apparatus For All-Optical Production Of Metastable Krypton, Lindsay M. Thornton

Physics Theses & Dissertations

Atom Trap Trace Analysis (ATTA) has made radiokrypton dating of polar ice and groundwater samples a possibility for scientists all over the world, allowing them to date samples further back in time and more accurately than other methods. However, this technique is hampered by the 36-hour cleaning process required for production of metastable-state krypton atoms via a radio-frequency driven plasma. Production of metastable krypton all-optically would dramatically increase the rate at which samples could be measured. Attempts to build an apparatus that could accomplish this have been done in the past but were lacking in aordability and practicality for widespread …

Electron- And Positron-Impact Ionization Of Inert Gases, R. I. Campeanu, H. R. J. Walters, Colm T. Whelan

Physics Faculty Publications

Triple-differential cross sections (TDCS) are presented for the electron and positron impact ionization of inert gas atoms in a range of geometries where a number of significant few body effects compete to define the shape of the TDCS. Using both positrons and electrons as projectiles has opened up the possibility of performing complementary studies which could effectively isolate competing interactions which cannot be separately detected in an experiment with a single projectile. A comparison is presented between theory and the recent experiments of [Gavin, deLucio, and DuBois, Phys. Rev. A95, 062703 (2017)] for e^± and contrasted with the …

Analysis Of The Red And Green Optical Absorption Spectrum Of Gas Phase Ammonia, Nikolai F. Zobov, Phillip A. Coles, Roman I. Ovsyannikov, Aleksandra A. Kyuberis, Robert J. Hargreaves, Peter F. Bernath, Jonathan Tennyson, Sergei N. Yurchenko, Oleg L. Polyansky

Chemistry & Biochemistry Faculty Publications

Room temperature NH₃ absorption spectra recorded at the Kitt Peak National Solar Observatory in 1980 are analyzed. The spectra cover two regions in the visible: 15,200 - 15,700 cm^-1 and 17,950 - 18,250 cm^-1. These high overtone rotation-vibration spectra are analyzed using both combination differences and variational line lists. Two variational line lists were computed using the TROVE nuclear motion program: one is based on an ab initio potential energy surface (PES) while the other used a semi-empirical PES. Ab initio dipole moment surfaces are used in both cases. 95 energy levels with J = 1 …