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At least 271 records · Page 15

Ab Initio Potential Energy Surface for H-H2

Ab initio calculations employing large basis sets are performed to determine an accurate potential energy surface for H-H2 interactions for a broad range of separation distances. At large distances, the spherically averaged potential determined from the calculated energies agrees well with the corresponding results determined from dispersion coefficients; the van der Waals well depth is predicted to be 75 +/- 3 micro E(h). Large basis sets have also been applied to reexamine the accuracy of theoretical repulsive potential energy surfaces (25-70 kcal/mol above the H-H2 asymptote) at small interatomic separations; the Boothroyd, Keogh, Martin, and Peterson (BKMP) potential energy surface is found to agree with results of the present calculations within the expected uncertainty (+/- 1 kcal/mol) of the fit. Multipolar expansions of the computed H-H2 potential energy surface are reported for four internuclear separation distances (1.2, 1.401, 1.449, and 1.7a(0)) of the hydrogen molecule. The differential elastic scattering cross section calculated from the present results is compared with the measurements from a crossed beam experiment.

Patridge, Harry↗

Ab initio Potential Energy Surface for H-H2

Ab initio calculations employing large basis sets are performed to determine an accurate potential energy surface for H-H2 interactions for a broad range of separation distances. At large distances, the spherically averaged potential determined from the calculated energies agrees well with the corresponding results determined from dispersion coefficients; the van der Waals well depth is predicted to be 75 +/- (mu)E(sub h). Large basis sets have also been applied to reexamine the accuracy of theoretical repulsive potential energy surfaces. Multipolar expansions of the computed H-H2 potential energy surface are reported for four internuclear separation distances (1.2, 1.401, 1.449, and 1.7a(sub 0) of the hydrogen molecule. The differential elastic scattering cross section calculated from the present results is compared with the measurements from a crossed beam experiment.

Partridge, Harry↗

A New Differential Absorption Lidar to Measure Sub-Hourly Fluctuation of Tropospheric Ozone Profiles in the Baltimore - Washington D.C. Region

Tropospheric ozone profiles have been retrieved from the new ground based National Aeronautics and Space Administration (NASA) Goddard Space Flight Center TROPospheric OZone DIfferential Absorption Lidar (GSFC TROPOZ DIAL) in Greenbelt, MD (38.99 N, 76.84 W, 57 meters ASL) from 400 m to 12 km AGL. Current atmospheric satellite instruments cannot peer through the optically thick stratospheric ozone layer to remotely sense boundary layer tropospheric ozone. In order to monitor this lower ozone more effectively, the Tropospheric Ozone Lidar Network (TOLNet) has been developed, which currently consists of five stations across the US. The GSFC TROPOZ DIAL is based on the Differential Absorption Lidar (DIAL) technique, which currently detects two wavelengths, 289 and 299 nm. Ozone is absorbed more strongly at 289 nm than at 299 nm. The DIAL technique exploits this difference between the returned backscatter signals to obtain the ozone number density as a function of altitude. The transmitted wavelengths are generated by focusing the output of a quadrupled Nd:YAG laser beam (266 nm) into a pair of Raman cells, filled with high pressure hydrogen and deuterium. Stimulated Raman Scattering (SRS) within the focus generates a significant fraction of the pump energy at the first Stokes shift. With the knowledge of the ozone absorption coefficient at these two wavelengths, the range resolved number density can be derived. An interesting atmospheric case study involving the Stratospheric-Tropospheric Exchange (STE) of ozone is shown to emphasize the regional importance of this instrument as well as assessing the validation and calibration of data. The retrieval yields an uncertainty of 16-19 percent from 0-1.5 km, 10-18 percent from 1.5-3 km, and 11-25 percent from 3 km to 12 km. There are currently surface ozone measurements hourly and ozonesonde launches occasionally, but this system will be the first to make routine tropospheric ozone profile measurements in the Baltimore-Washington DC area.

Stimulated Raman Scattering↗

Measurement of H(e,e’) and D(e,e’) Cross-Sections for Bloom-Gilman Quark-Hadron Duality Study

The E12-10-002 experiment which ran in 2018 in Hall C at the Thomas Jefferson National Accelerator Facility measured the inclusive electron scattering cross-sections for hydrogen and deuterium. This was the first experiment conducted with the new Super High-Momentum Spectrometer and accompanying instrumentation. These measurements extend the previous Hall C measurements up to Q2 = 16 GeV2. This dissertation presents the analyses of the new detectors and shows the preliminary results for F2 structure function and the study of quark-hadron duality in the four nucleon-resonance regions.

Sun, Abel↗

Partial Wave Analysis of Strange Mesons Decaying to K+p+p- in the Reaction ¿p ¿ K+p+p-¿(1520) and the Commissioning of the GlueX DIRC Detector

Hadron spectroscopy is a cornerstone of our understanding of the strong nuclear interactions. Studying the hadron spectrum led to the postulation of quarks and gluons, and the development of Quantum Chromodynamics (QCD), the theory of the strong nuclear force. Today hadron spectroscopy provides an important test of QCD, particularly in the non-perturbative energy regime. One such test is the existence of hybrid hadrons that have gluonic degrees of freedom, e.g. q ?qg states, that are allowed by QCD but have remained elusive in experimental searches. The GlueX experiment located at Thomas Jefferson National Accelerator Facility, is designed to map the light meson spectrum, including hybrid mesons, produced by a linearly polarized photon beam that is scattered off of a liquid hydrogen target. This dissertation concerns the installation and commissioning of the GlueX DIRC upgrade and the analysis of three reactions measured by the GlueX experiment. The GlueX DIRC is a particle identification detector installed as an upgrade to the GlueX experiment in 2019 to improve the experiment?s ability to distinguish pions and kaons. The DIRC uses Cherenkov photons radiated by charged particles that travel faster than the speed of light in the detector medium to determine the velocity of said particles. The velocity measurement is used in conjunction with momentum measurements from other detectors to determine the mass of the particle. The DIRC will be essential to the future of strange meson spectroscopy in GlueX. The reactions ?p ? K+K??+??p, ?p ? K+K??0?0p, ?p ? K+K??0?p were initially chosen for this analysis to search for the hybrid meson candidate ?(2170) and related resonances. The ?(2170) has been observed in e+e? collider experiments decaying to K+K??+?? and K+K??0?0, among other final states. The ?(2170) was not observed in this analysis. The reaction ?p ? K+?+???(1520), a subset of the ?p ? K+K??+??p reaction, was analyzed with a Partial Wave Analysis (PWA) in order to study strange mesons that decay to K+?+??. In the PWA, a useful model for the angular distributions was found but no significant structures could be observed due to statistical limitations.

Hurley, Andrew↗

Extreme confinement of hydrogen gas within fullerenelike nanoporous carbon

Nanoporous carbons and carbon nanostructures can store hydrogen at cryogenic temperatures but lack the volumetric and gravimetric capacity to be industrially significant. Recent inelastic neutron scattering experiments suggest a highly dense phase of hydrogen at temperatures well above the melting point of solid hydrogen. However, it remains unclear how pore geometry and intermolecular interactions enable these dense phases to exist, with dispersion (van der Waals) or electrostatic/induction suggested to be the key effects in slit and curved pores but their relative contributions have yet to be quantified. In this paper, we perform benchmark electronic structure calculations allowing the interactions between planar and curved aromatic molecules with hydrogen to be accurately determined. Dispersion was found to dominate over electrostatic and inductive effects with some many-body charge transfer (Dobson type-A) effects needed to capture the most highly curved structures. Density functional methods that include type-A many-body effects were found to accurately describe the intermolecular interactions at a fraction of the cost of coupled-cluster simulations and these approaches were used to calculate the energies inside large carbon bowl and slit pores. The interaction energies inside the bowl pores were found to depend on the orientation of the hydrogen molecule. This rotational barrier, modeled as a quantum hindered rotor, could reproduce the peak splitting observed in inelastic neutron scattering experiments, with weak splitting arising from bowl-like fullerene pores and strong splitting from highly confining nanotubelike pores. Increasing the fraction of such curved pores in nanoporous carbons may therefore offer a pathway to enhance their hydrogen-storage capacity. Moreover, the preferential adsorption of ortho hydrogen on nanotubelike pores could enable the storage of high-density hydrogen without the need to remove heat produced during the ortho-para hydrogen conversion.

36 MATERIALS SCIENCE↗

Anisotropic angular scattering models of elastic electron-neutral collisions for Monte Carlo plasma simulations

Many laboratory and industrial plasma applications require accurate modeling techniques to understand the interplay between microscopic and macroscopic processes. A prime example of this interplay is how particle and Monte Carlo (MC) simulation codes describe angular scattering of electrons following elastic scattering events. The forward peaked nature of high energy electron elastic scattering is relatively trivial to accurately describe in plasma simulations. However, for lower energy collisions, which produce near isotropic or backward peaked differential cross sections, there is not a strong consensus among the plasma modeling community on how to best describe these angular scattering trends. Here, in this study, we propose a systematic method to approximate the aforementioned non-trivial angular scattering behavior with a formula that can be readily implemented in particle-in-cell (PIC) and/or MC plasma simulation codes. The present approach is specifically applied to fusion relevant atomic hydrogen and helium, as well as for molecular hydrogen, and results are also applicable to the atomic isotopes and homonuclear molecular isotopologues of these species. Comparisons between the present angular distribution function and benchmark scattering data were used to validate the proposed models. In addition, two-term Boltzmann calculations and PIC direct simulation MC simulations revealed that the proposed angular distribution function is accurate, agreeing very well with benchmark convergent close-coupling scattering calculations, and electron transport measurements. These studies confirmed that the present angular distribution function model can be utilized without the need of renormalization to the momentum transfer cross section (as opposed to using the elastic scattering integrated cross section), which has been suggested by several studies in order to correct for deficient angular scattering models, and to agree with transport measurements. Hence, the present anisotropic angular scattering model can be utilized to accurately model the momentum transfer as well as the electron trajectories of elastic collisions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A study of optical scattering methods in laboratory plasma diagnosis

Electron velocity distributions are deduced along axes parallel and perpendicular to the magnetic field in a pulsed, linear Penning discharge in hydrogen by means of a laser Thomson scattering experiment. Results obtained are numerical averages of many individual measurements made at specific space-time points in the plasma evolution. Because of the high resolution in k-space and the relatively low maximum electron density 2 x 10 to the 13th power/cu cm, special techniques were required to obtain measurable scattering signals. These techniques are discussed and experimental results are presented.

Phipps, C. R., Jr.↗

The problem of atomic hydrogen

Optical absorption and emission measurements of Lyman alpha and Lyman beta radiation of sun scattered in atmosphere of earth for determining distribution of atomic hydrogen in atmosphere

SOLAR RADIATION↗

Hydrogen and helium ions.

Hydrogen and helium ions formation and destruction, charge transfer, diffusion, role during solar activity, using mass spectrometry, ground radar, etc

RADAR SCATTERING↗

Crystallography of low Z material at ultrahigh pressure: Case study on solid hydrogen

Diamond anvil cell techniques have been improved to allow access to the multimegabar ultrahigh-pressure region for exploring novel phenomena in condensed matter. However, the only way to determine crystal structures of materials above 100 GPa, namely, X-ray diffraction (XRD), especially for low Z materials, remains nontrivial in the ultrahigh-pressure region, even with the availability of brilliant synchrotron X-ray sources. In this work,we perform a systematic study, choosing hydrogen (the lowest X-ray scatterer) as the subject, to understand how to better perform XRD measurements of low Z materials at multimegabar pressures. The techniques that we have developed have been proved to be effective in measuring the crystal structure of solid hydrogen up to 254 GPa at room temperature [C. Ji et al.,Nature 573, 558–562 (2019)]. We present our discoveries and experiences with regard to several aspects of this work, namely, diamond anvil selection, sample configuration for ultrahigh-pressure XRD studies,XRD diagnostics for low Z materials, and related issues in data interpretation and pressure calibration.We believe that these methods can be readily extended to other low Z materials and can pave the way for studying the crystal structure of hydrogen at higher pressures, eventually testing structural models of metallic hydrogen.

36 MATERIALS SCIENCE↗

A Sounding Rocket Experiment for the Chromospheric Lyman-Alpha Spectro-Polarimeter (CLASP)

A sounding-rocket experiment called the Chromospheric Lyman-Alpha Spectro-Polarimeter (CLASP) is presently under development to measure the linear polarization profiles caused by scattering processes and the Hanle effect in the hydrogen Lyman-alpha line (121.567nm). Accurate measurements of the linear polarization signals caused by scattering processes and the Hanle effect are essential to explore the strength and structures of weak magnetic fields. The primary target of future solar telescopes is to measure the weak magnetic field in outer solar atmospheres (from the chromosphere to the corona through the transition region). The hydrogen Lyman-alpha-line is one of the best lines for the diagnostics of magnetic fields in the outer solar atmospheres. CLASP is to be launched in 2015, and will provide, for the first time, the observations required for magnetic field measurements in the upper chromosphere and transition region. CLASP is designed to have a polarimetric sensitivity of 0.1% and a spectral resolution of 0.01nm for the Lyman-alpha line. CLASP will measure two orthogonal polarizations simultaneously for about 5-minute flight. Now the integration of flight mirrors and structures is in progress. In addition to our strategy to realize such a high-precision spectro-polarimetry in the UV, we will present a progress report on our pre-launch evaluation of optical and polarimetric performances of CLASP.

solar↗

Theory of direct scattering of neutral and charged atoms

The theory for direct elastic and inelastic collisions between composite atomic systems formulated within the framework of the Glauber approximation is presented. It is shown that the phase-shift function is the sum of a point Coulomb contribution and of an expression in terms of the known electron-hydrogen-atom and proton-hydrogen-atom phase shift function. The scattering amplitude is reexpressed, the pure Coulomb scattering in the case of elastic collisions between ions is isolated, and the exact optical profile function is approximated by a first-order expansion in Glauber theory which takes into account some multiple collisions. The approximate optical profile function terms corresponding to interactions involving one and two electrons are obtained in forms of Meijer G functions and as a one-dimensional integral, and for collisions involving one or two neutral atoms, the scattering amplitude is further reduced to a simple closed-form expression.

Franco, V.↗

Measurement of thermal radiation scattering characteristics of submicron refractory particles.

The differential scattering parameter has been measured for 0.04-micron tungsten particles in hydrogen and nitrogen at temperatures to 1080 K. The differential scattering parameter has also been measured for 0.1 micron tungsten, three types of carbon particles, and fly ash in nitrogen at temperatures to 1000 K. The 0.04 micron tungsten shows a temperature dependent total scattering parameter varying from around 4000 sq cm per g at room temperature to 7000 sq cm per g at 1088 K. The temperatures over which data were obtained are not high enough to confirm the temperature dependence of the total scattering parameter of tungsten.

Jacobs, W. R.↗

Electron-H P-Wave Elastic Scattering

In previous papers [Bhatia and Temkin, Phys. Rev. A 64, 032709-1 (2001), Phys. Rev. A 66, 064702 (2002)], electron-hydrogen and electron-He(+) S-wave scattering phase shifts were calculated using the optical potential approach. This method is now extended to the singlet and triplet electron-H P-wave scattering in the elastic region. Phase shifts are calculated using Hylleraas-type correlation functions with up to 220 terms. Results are rigorous lower bounds to the exact phase shifts and they are compared to phase shifts obtained from previous calculations.

Bhatia, A. K.↗

Fingerprints of hydrogen bonding in the terahertz dynamics of ethanol and water: An inelastic x-ray scattering study

Here, we used inelastic x-ray scattering methods to measure the terahertz spectrum of density fluctuations of ethanol in both liquid and solid phases. The results of a Bayesian inference-based lineshape analysis with a multiple excitation model and the comparison with a previous similar analysis on water indicate that the different structures induced by hydrogen bonds in ethanol and water have a profound influence on the respective dynamic responses, the latter being characterized by longer living and better resolved high-frequency acoustic excitations. In addition, we compare these findings with those obtained with an alternative approach based on the exponential expansion theory and ensuring sum rules fulfillment, demonstrating that the model’s choice directly impacts the number of spectral modes detected.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Annihilation during positron-hydrogen collisions

Using the precision s- and p-wave elastic-scattering wave functions obtained previously, we have calculated the annihilation rate for positrons colliding with hydrogen atoms below the positronium-formation threshold. The s-wave results agree well with those of Humberston, while the p-wave results, which are new, contribute about 20% of the total at the higher energies.

Bhatia, A. K.↗