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Full-Text Articles in Physical Sciences and Mathematics

Energy-Efficient Computational Chemistry: Comparison Of X86 And Arm Systems, Kristopher Keipert, Gaurav Mitra, Vaibhav Sunriyal, Sarom S. Leang, Masha Sosonkina, Alistair P. Rendell, Mark S. Gordon Nov 2015

Energy-Efficient Computational Chemistry: Comparison Of X86 And Arm Systems, Kristopher Keipert, Gaurav Mitra, Vaibhav Sunriyal, Sarom S. Leang, Masha Sosonkina, Alistair P. Rendell, Mark S. Gordon

Computational Modeling & Simulation Engineering Faculty Publications

The computational efficiency and energy-to-solution of several applications using the GAMESS quantum chemistry suite of codes is evaluated for 32-bit and 64-bit ARM-based computers, and compared to an x86 machine. The x86 system completes all benchmark computations more quickly than either ARM system and is the best choice to minimize time to solution. The ARM64 and ARM32 computational performances are similar to each other for Hartree-Fock and density functional theory energy calculations. However, for memory-intensive second-order perturbation theory energy and gradient computations the lower ARM32 read/write memory bandwidth results in computation times as much as 86% longer than on the …


Catalysis Of Stark-Tuned Interactions Between Ultracold Rydberg Atoms, Aye Lu Win Apr 2015

Catalysis Of Stark-Tuned Interactions Between Ultracold Rydberg Atoms, Aye Lu Win

Physics Theses & Dissertations

We present the study of the catalysis effect in the resonant energy transfer between ultracold 85Rb Rydberg atoms. We have investigated the energy transfer process of 34p + 34p → 34s + 35s, and observed Stark-tuned Forster resonances. When additional Rydberg atoms of 34d state are included in the interaction, an increase in the population of 34s states atoms is observed. Although the 34d state atoms do not directly participate in the resonant energy transfer that produces 34s state atoms, they add an additional interaction channel 34p + 34 …


Photoassociative Spectroscopy Of Ultracold Argon And Krypton Confined In A Magneto Optical Trap, Maha Khaled Omar Apr 2015

Photoassociative Spectroscopy Of Ultracold Argon And Krypton Confined In A Magneto Optical Trap, Maha Khaled Omar

Physics Theses & Dissertations

Creating ultracold molecules has attracted considerable interest in the last decade. Once created, such molecules can be used for precision spectroscopy or to study chemical reactions at ultracold tem peratures. Several techniques have been developed to produce ultracold molecules; the most common is photoassociation where two ultracold atoms collide in the presence of light that induces a free-bound transition to an excited molecular state. Photoassociation can also be used to perform spectroscopy in order to map out the ro-vibrational levels of a molecular state. In this dissertaiotn, we report on our Photoasociative Spectroscopy (PAS) studies conducted separately in argon and …


Simultaneous Analysis Of The Ballik-Ramsay And Phillips Systems Of C2 And Observation Of Forbidden Transitions Between Singlet And Triplet States, Wang Chen, Kentarou Kawaguchi, Peter F. Bernath, Jian Tang Feb 2015

Simultaneous Analysis Of The Ballik-Ramsay And Phillips Systems Of C2 And Observation Of Forbidden Transitions Between Singlet And Triplet States, Wang Chen, Kentarou Kawaguchi, Peter F. Bernath, Jian Tang

Chemistry & Biochemistry Faculty Publications

6229 lines of the Ballik-Ramsay system (b3Σg--a3Πu) and the Phillips system (A1Πu-X1Σg+) of C2 up to v = 8 and J = 76, which were taken from the literature or assigned in the present work, were analyzed simultaneously by least-squares fitting with 82 Dunham-like molecular parameters and spin-orbit interaction constants between the b3Σg- and X1Σg+ states with a standard deviation of 0.0037 cm-1 for the whole data set. As a …


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 Jan 2015

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(InxGa1-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 …


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 Jan 2015

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, Ay, 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 Ay 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 …


Proton-Electrostatic Localization: Explaining The Bioenergetic Conundrum In Alkalophilic Bacteria, James Weifu Lee Jan 2015

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 …


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 Jan 2015

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 Jan 2015

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 Jan 2015

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, xB, 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 …