Atomic, Molecular and Optical Physics Commons^™

Proton-Electrostatic Localization: Explaining The Bioenergetic Conundrum In Alkalophilic Bacteria, James Weifu Lee

Chemistry & Biochemistry Faculty Publications

The decades-longstanding energetic conundrum of alkalophilic bacteria as to how they are able to synthesize ATP has now, for the first time, been clearly solved using the proton-electrostatics localization hypothesis. This is a major breakthrough advance in understanding proton-coupling bioenergetics over the Nobel-prize work of Peter Mitchell’s chemiosmotic theory. The widespread textbook Mitchellian proton motive force (pmf) equation has now been significantly revised. Use of the newly derived equation results in an overall pmf value (215~233 mV) that is more than 4 times larger than that (44.3 mV) calculated from the Mitchellian equation for the alkalophilic bacteria growing at pH …

Theoretical And Computational Studies Of The Electronic, Structural, Vibrational, And Thermodynamic Properties Of Transition Metal Nanoparticles, Ghazal Shafai Erfani

Electronic Theses and Dissertations

The main objective of this dissertation is to provide better understanding of the atomic configurations, electronic structure, vibrational properties, and thermodynamics of transition metal nanoparticles and evaluate the intrinsic (i.e. size and shape) and extrinsic (i.e. ligands, adsorbates, and support) effects on the aforementioned properties through a simulational approach. The presented research provides insight into better understanding of the morphological changes of the nanoparticles that are brought about by the intrinsic factors as well as the extrinsic ones. The preference of certain ligands to stabilize specific sizes of nanoparticles is investigated. The intrinsic and extrinsic effects on the electronic structure …

Attosecond Transient Absorption Spectroscopy Of Atoms And Molecules, Yan Cheng

Electronic Theses and Dissertations

One of the most fundamental goals of attosecond science is to observe and to control the dynamic evolutions of electrons in matter. The attosecond transient absorption spectroscopy is a powerful tool to utilize attosecond pulse to measure electron dynamics in quantum systems directly. In this work, isolated single attosecond pulses are used to probe electron dynamics in atoms and to study dynamics in hydrogen molecules using the attosecond transient absorption spectroscopy technique. The target atom/molecule is first pumped to excited states and then probed by a subsequent attosecond extreme ultraviolet (XUV) pulse or by a near infrared (NIR) laser pulse. …

Weak Values Obtained In Matter-Wave Interferometry, Stephan Sponar, Tobias Denkmayr, Hermann Geppert, Hartmutt Lemmel, Alexandre Matzkin, Jeff Tollaksen, Yuji Hasegawa

Mathematics, Physics, and Computer Science Faculty Articles and Research

Weak values, introduced more than 25 years ago, underwent a metamorphosis from a theoretical curiosity to a powerful resource in photonics for exploring foundations of quantum mechanics, as well as a practical laboratory tool. Due to the tiny coherence volume of particles used in matter-wave optics, a straightforward implementation of weak measurements is not feasible. We have overcome this hurdle by developing a method to weakly measure a massive particle's spin component. A neutron optical approach is realized by utilizing neutron interferometry, where the neutron's spin is coupled weakly to its spatial degree of freedom. Here, we present how one …

Relativistic Configuration Interaction Calculations Of The Atomic Properties Of Selected Transition Metal Positive Ions; Ni Ii, V Ii And W Ii, Marwa Hefny Abdalmoneam

Dissertations, Master's Theses and Master's Reports

Relativistic Configuration Interaction (RCI) method has been used to investigate atomic properties of the singly ionized transition metals including Nickel (Ni II), Vanadium (V II), and Tungsten (W II). The methodology of RCI computations was also improved. Specifically, the method to shift the energy diagonal matrix of the reference configurations was modified which facilitated including the effects of many electronic configurations that used to be difficult to be included in the energy matrix and speeded-up the final calculations of the bound and continuum energy spectrum. RCI results were obtained for three different cases:

1. Atomic moments and polarizabilities of Ni II; …

Properties Of Cu(In,Ga,Al)Se² Thin Films Fabricated By Magnetron Sputtering, Talaat A. Hameed, Wei Cao, Bahiga A. Mansour, Inas K. Elzawaway, El-Metwally M. Abdelrazek, Hani E. Elsayed-Ali

Applied Research Center Publications

Cu (In,Ga,Al)Se₂ (CIGAS) thin films were studied as an alternative absorber layer material to Cu(In_xGa_1-x)Se₂. CIGAS thin films with varying Al content were prepared by magnetron sputtering on Si(100) and soda-lime glass substrates at 350 °C, followed by postdeposition annealing at 520 °C for 5 h in vacuum. The film composition was measured by an electron probe microanalyzer while the elemental depth profiles were determined by secondary ion mass spectrometry. X-ray diffraction studies indicated that CIGAS films are single phase with chalcopyrite structure and that the (112) peak clearly shifts to higher 2θ …

Anomalous Nonlinear X-Ray Compton Scattering, Matthias Fuchs, Mariano Trigo, Jian Chen, Shambhu Ghimire, Sharon Shwartz, Michael Kozina, Mason Jiang, Thomas Henighan, Crystal Bray, Georges Ndabashimiye, Philip H. Bucksbaum, Yiping Feng, Sven Herrmann, Gabriella A. Carini, Jack Pines, Philip Hart, Christopher Kenney, Serge Guillet, Sébastien Boutet, Garth J. Williams, Marc Messerschmidt, M. Marvin Seibert, Stefan Moeller, Jerome B. Hastings, David A. Reis

Matthias Fuchs Publications

X-ray scattering is typically used as a weak linear atomic-scale probe of matter. At high intensities, such as produced at free-electron lasers, nonlinearities can become important, and the probe may no longer be considered weak. Here we report the observation of one of the most fundamental nonlinear X-ray–matter interactions: the concerted nonlinear Compton scattering of two identical hard X-ray photons producing a single higher-energy photon. The X-ray intensity reached 4 × 10²⁰ W cm⁻², corresponding to an electric field well above the atomic unit of strength and within almost four orders of magnitude of the quantum-electrodynamic critical …

Manipulating Topological States By Imprinting Non-Collinear Spin Textures, Robert Streubel, Luyang Han, Mi Young Im, Florian Kronast, Ulrich K. Rößler, Florin Radu, Radu Abrudan, Gungun Lin, Oliver G. Schmidt, Peter Fischer, Denys Makarov

Robert Streubel Papers

Topological magnetic states, such as chiral skyrmions, are of great scientific interest and show huge potential for novel spintronics applications, provided their topological charges can be fully controlled. So far skyrmionic textures have been observed in noncentrosymmetric crystalline materials with low symmetry and at low temperatures. We propose theoretically and demonstrate experimentally the design of spin textures with topological charge densities that can be tailored at ambient temperatures. Tuning the interlayer coupling in vertically stacked nanopatterned magnetic heterostructures, such as a model system of a Co/Pd multilayer coupled to Permalloy, the in-plane non-collinear spin texture of one layer can be …

Magnetic Soft X-Ray Tomography Of Magnetic Swiss Roll Architectures, Robert Streubel, F. Kronast, P. Fischer, O. G. Schmidt, D. Makarov

Robert Streubel Papers

A further increase in performance of state-of-the-art spin-electronics can be achieved by either miniaturizing its functional components or harnessing the third dimension. The first route, however, faces physical limitations as properties of nanostructures and their response to external stimuli can drastically change in reduced dimensions. An alternative way is to go from planar 2D structures to 3D architectures [1]. Such 3D functional elements can be obtained for example by rolling up initially planar strained thin films into Swiss roll like objects with multiple windings (Fig. 1a). A major advantage of this technology platform is the possibility to fabricate compact multifunctional …

Mega-Electron-Volt Ultrafast Electron Diffraction At Slac National Accelerator Laboratory, Stephen Weathersby, G. Brown, Martin Centurion, T. F. Chase, Ryan Coffee, Jeff Corbett, J. P. Eichner, J. C. Frisch, A. R. Fry, M. Gühr, Nick Hartmann, Carsten Hast, R. Hettel, R. K. Jobe, E. N. Jongewaard, J. R. Lewandowski, R. K. Li, A. M. Lindenberg, Igor Makasyuk, J. E. May, D. Mccormick, M. N. Nguyen, Alexander Reid, Xiaozhe Shen, K. Sokolowski-Tinten, Theodore Vecchione, Sharon Vetter, J. Wu, Jie Yang, H. A. Dürr, Xijie Wang

Martin Centurion Publications

Ultrafast electron probes are powerful tools, complementary to x-ray free-electron lasers, used to study structural dynamics in material, chemical, and biological sciences. High brightness, relativistic electron beams with femtosecond pulse duration can resolve details of the dynamic processes on atomic time and length scales. SLAC National Accelerator Laboratory recently launched the Ultrafast Electron Diffraction (UED) and microscopy Initiative aiming at developing the next generation ultrafast electron scattering instruments. As the first stage of the Initiative, a mega-electron-volt (MeV) UED system has been constructed and commissioned to serve ultrafast science experiments and instrumentation development. The system operates at 120-Hz repetition rate …

Electrostatic Charge On Flying Hummingbirds And Its Potential Role In Pollination, Marc Badger, Victor Manuel Ortega-Jimenez, Lisa Von Ribenau, Ashley Smiley, Robert Dudley, Alexei Gruverman , Editor

Alexei Gruverman Publications

Electrostatic phenomena are known to enhance both wind- and insect-mediated pollination, but have not yet been described for nectar-feeding vertebrates. Here we demonstrate that wild Anna's Hummingbirds (Calypte anna) can carry positive charges up to 800 pC while in flight (mean ± s.d.: 66 ± 129 pC). Triboelectric charging obtained by rubbing an isolated hummingbird wing against various plant structures generated charges up to 700 pC. A metal hummingbird model charged to 400 pC induced bending of floral stamens in four plants (Nicotiana, Hemerocallis, Penstemon, and Aloe spp.), and also attracted falling Lycopodium spores at distances of < 2 mm. Electrostatic forces may therefore influence pollen transfer onto nectar-feeding birds.

Molecular Dynamics Study On Defect Reduction Strategies Towards The Fabrication Of High Performance Cd1-Xznxte/Cds Solar Cells, Jose Juan Chavez

Open Access Theses & Dissertations

Cadmium Telluride is a material widely used in terrestrial thin film photovoltaic applications due to its nearly ideal band gap (~1.5 eV) and high absorption coefficient. Due to its low manufacturing cost, this technology has the potential to become a significant energy resource if higher energy conversion efficiencies are achieved. However, the module efficiencies (~14%) are still far from the theoretical maximum (~30%) for this material in a single junction configuration. The reason behind this low performance is attributed to the high number of defects that are present within the device materials. The physics behind the formation mechanisms of these …

Search For A Permanent Electric Dipole Moment Of 225Ra, Mukut R. Kalita

Theses and Dissertations--Physics and Astronomy

The observation of a permanent electric dipole moment (EDM) in a non-degenerate system would indicate the violation of discrete symmetries of Time reversal (T) or combined application of Charge (C) and Parity (P) symmetry violation through the CPT theorem. The diamagnetic ²²⁵Ra atom with nuclear spin I=1/2 is a favorable candidate for an EDM search. Experimental sensitivity to its EDM is enhanced due to its high atomic mass and the increased Schiff moment of its octupole deformed nucleus. An experimental setup is developed where laser cooled neutral radium atoms are collected in a …

Computational Investigations Of Potential Energy Function Development For Metal-Organic Framework Simulations, Metal Carbenes, And Chemical Warfare Agents, Christian R. Cioce

USF Tampa Graduate Theses and Dissertations

Metal-Organic Frameworks (MOFs) are three-dimensional porous nanomaterials with a variety of applications, including catalysis, gas storage and separation, and sustainable energy. Their potential as air filtration systems is of interest for designer carbon capture materials. The chemical constituents (i.e. organic ligands) can be functionalized to create rationally designed CO2 sequestration platforms, for example. Hardware and software alike at the bleeding edge of supercomputing are utilized for designing first principles-based molecular models for the simulation of gas sorption in these frameworks. The classical potentials developed herein are named PHAST -- Potentials with High Accuracy, Speed, and Transferability, and thus are designed …

Measurement Of The Target-Normal Single-Spin Asymmetry In Quasielastic Scattering From The Reaction ³He↑(E, E'), Y. W. Zhang, E. Long, M. Mihoviloviĉ, G. Gin, M Canan, S. Golge, R. Schiavilla

Physics Faculty Publications

We report the first measurement of the target single-spin asymmetry, A_y, in quasielastic scattering from the inclusive reaction ³He↑(e, e') on a ³He gas target polarized normal to the lepton scattering plane. Assuming time-reversal invariance, this asymmetry is strictly zero for one-photon exchange. A nonzero A_y can arise from the interference between the one-and two-photon exchange processes which is sensitive to the details of the substructure of the nucleon. An experiment recently completed at Jefferson Lab yielded asymmetries with high statistical precision at Q² = 0.13, 0.46, and 0.97 GeV2. These measurements demonstrate, for the first …

Direct Observation Of Quark-Hadron Duality In The Free Neutron F2 Structure Function, I. Niculescu, G. Niculescu, W. Melnitchouk, J. Arrington, M. E. Christy, S. Kuhn

Physics Faculty Publications

Using the recently published data from the BONuS(Barely Off-shell Nucleon Structure) experiment at Jefferson Lab, which utilized a spectator tagging technique to extract the inclusive electron-free neutron scattering cross section, we obtain the first direct observation of quark-hadron duality in the neutron F₂ structure function. The data are used to reconstruct the lowest few (N = 2, 4, and 6) moments of F₂ in the three prominent nucleon resonance regions, as well as the moments integrated over the entire resonance region. Comparison with moments computed from global parametrizations of parton distribution functions suggest that quark-hadron duality holds locally …

Measurements Of Population Densities Of Metastable And Resonant Levels Of Argon Using Laser Induced Fluorescence, M. Nikolic, J. Newton, C. I. Sukenik, L. Vuskovic, S. Popovic

Physics Faculty Publications

We present a new approach to measure population densities of Ar I metastable and resonant excited states in low temperature Ar plasmas at pressures higher than 1 Torr. This approach combines the time resolved laser induced fluorescence technique with the kinetic model of Ar. The kinetic model of Ar is based on calculating the population rates of metastable and resonant levels by including contributions from the processes that affect population densities of Ar I excited states. In particular, we included collisional quenching processes between atoms in the ground state and excited states, since we are investigating plasma at higher pressures. …

Longitudinal Target-Spin Asymmetries For Deeply Virtual Compton Scattering, E. Seder, A. Biselli, S. Bültmann, A. Klein, S. E. Kuhn, Y. Prok, Clas Collaboration

Physics Faculty Publications

A measurement of the electroproduction of photons off protons in the deeply inelastic regime was performed at Jefferson Lab using a nearly 6 GeV electron beam, a longitudinally polarized proton target, and the CEBAF Large Acceptance Spectrometer. Target-spin asymmetries for e p → e'p'ɣ events, which arise from the interference of the deeply virtual Compton scattering and the Bethe-Heitler processes, were extracted over the widest kinematics in Q², x_B, t, and ɸ, for 166 four-dimensional bins. In the framework of generalized parton distributions, at leading twist the t dependence of these asymmetries provides insight into …

Inductive Measurement Of Optically Hyperpolarized Phosphorous Donor Nuclei In An Isotopically Enriched Silicon-28 Crystal, P. Gumann, O. Patange, C. Ramanathan, H. Haas

Dartmouth Scholarship

We experimentally demonstrate the first inductive readout of optically hyperpolarized phosphorus-31 donor nuclear spins in an isotopically enriched silicon-28 crystal. The concentration of phosphorus donors in the crystal was 1.5×1015  cm−3, 3 orders of magnitude lower than has previously been detected via direct inductive detection. The signal-to-noise ratio measured in a single free induction decay from a 1  cm3 sample (≈1015 spins) was 113. By transferring the sample to an X-band ESR spectrometer, we were able to obtain a lower bound for the nuclear spin polarization at 1.7 K of ∼64%. The 31P-T2 measured with a Hahn echo sequence was …

Sulfur Vacancies In Photorefractive Sn2P2S6 Crystals, Eric M. Golden, Sergey A. Basun, A. A. Grabar, I. M. Stoika, Nancy C. Giles, D. R. Evans, Larry E. Halliburton

Faculty Publications

A photoinduced electron paramagnetic resonance (EPR) spectrum in single crystals of Sn2P2S6 (SPS) is assigned to an electron trapped at a sulfur vacancy. These vacancies are unintentionally present in undoped SPS crystals and are expected to play an important role in the photorefractive behavior of the material. Nonparamagnetic sulfur vacancies are formed during the initial growth of the crystal. Subsequent illumination below 100 K with 442 nm laser light easily converts these vacancies to EPR-active defects. The resulting S = 1/2 spectrum shows well-resolved and nearly isotropic hyperfine interactions with two P ions and two Sn ions. Partially resolved interactions …