A Multiwavelength Study of the Nature of Diffuse Atomic and Molecular Gas

NASA Astrophysics Data System (ADS)

Federman, Steven

2015-10-01

Our proposed observations under the UV Initiative form a key component of a multiwavelength study of diffuse atomic and molecular clouds. The Herschel GOT C+ survey associated [C II] emission at 158 microns with emission from H I at 21 cm and CO at 2.6 mm, revealing the presence of warm neutral gas, cold neutral gas, CO-dark H2 gas, and molecular clouds. Ground-based measurements of Ca II, CH+, CH, and CN at visible wavelengths show absorption at the same velocities as the components seen in the GOT C+ survey. A main focus of our project is a detailed investigation of the nature of CO-dark H2 gas, interstellar material not associated with H I and CO emission. The presence of this additional material alters our view of molecular gas in galaxies and its connection to star formation rates. We propose ultraviolet observations of three targets with STIS that probe two of the pointings in the GOT C+ survey. Absorption from CO, at much greater sensitivies than is possible from surveying CO emission, will be sought. Analysis of CO, C I, and C2 absorption will yield the physical conditions (gas density and temperature) along the sight lines. The results will be compared with those inferred from CN chemistry based on the observations at visible wavelengths. Other probes seen at UV wavelengths, such as O I, Cu II, and Cl I, will provide a more complete picture of the environment seen in the atomic components of the GOT C+ survey. The outcome of the project will be the most detailed study of diffuse atomic and molecular gas from spectral measurements spanning nearly seven orders of magnitude in wavelength.

Distribution of forbidden neutral carbon emission in the ring nebula (NGC 6720)

NASA Technical Reports Server (NTRS)

Jewitt, D. C.; Danielson, G. E.; Kupferman, P. N.; Maran, S. P.

1983-01-01

The spatial distribution of forbidden C I 9823, 9850 A emission in NGC 6720 is reported. Like forbidden O I, the forbidden C I radiation appears enhanced in the region of the bright filaments. A few percent of the carbon atoms in the filaments are neutral. The neutral fraction is consistent with ionization equilibrium calculations made under the assumption of complete shielding of direct stellar radiation by hydrogen. The observed carbon lines are excited by photoelectrons produced from hydrogen by the nebular diffuse radiation field. The forbidden C I observations confirm that the filaments in NGC 6720 are regions of locally enhanced shielding.

Investigation of the expansion rate scaling of plasmas in the Electron Diffusion Gauge experiment

NASA Astrophysics Data System (ADS)

Morrison, Kyle A.; Davidson, Ronald C.; Paul, Stephen F.; Jenkins, Thomas G.

2002-01-01

The expansion of the Electron Diffusion Gauge (EDG) pure electron plasma due to collisions with background neutral gas atoms is characterized by the pressure and magnetic field scaling of the profile expansion rate (d/dt). Data obtained at higher background gas pressures [1] than previously studied [2] is presented. The measured expansion rate in the higher pressure regime is found to be in good agreement with the classical estimate of the expansion rate [3].

Transport coefficients and heat fluxes in non-equilibrium high-temperature flows with electronic excitation

NASA Astrophysics Data System (ADS)

Istomin, V. A.; Kustova, E. V.

2017-02-01

The influence of electronic excitation on transport processes in non-equilibrium high-temperature ionized mixture flows is studied. Two five-component mixtures, N 2 / N2 + / N / N + / e - and O 2 / O2 + / O / O + / e - , are considered taking into account the electronic degrees of freedom for atomic species as well as the rotational-vibrational-electronic degrees of freedom for molecular species, both neutral and ionized. Using the modified Chapman-Enskog method, the transport coefficients (thermal conductivity, shear viscosity and bulk viscosity, diffusion and thermal diffusion) are calculated in the temperature range 500-50 000 K. Thermal conductivity and bulk viscosity coefficients are strongly affected by electronic states, especially for neutral atomic species. Shear viscosity, diffusion, and thermal diffusion coefficients are not sensible to electronic excitation if the size of excited states is assumed to be constant. The limits of applicability for the Stokes relation are discussed; at high temperatures, this relation is violated not only for molecular species but also for electronically excited atomic gases. Two test cases of strongly non-equilibrium flows behind plane shock waves corresponding to the spacecraft re-entry (Hermes and Fire II) are simulated numerically. Fluid-dynamic variables and heat fluxes are evaluated in gases with electronic excitation. In inviscid flows without chemical-radiative coupling, the flow-field is weakly affected by electronic states; however, in viscous flows, their influence can be more important, in particular, on the convective heat flux. The contribution of different dissipative processes to the heat transfer is evaluated as well as the effect of reaction rate coefficients. The competition of diffusion and heat conduction processes reduces the overall effect of electronic excitation on the convective heating, especially for the Fire II test case. It is shown that reliable models of chemical reaction rates are of great importance for accurate predictions of the fluid dynamic variables and heat fluxes.

Implementation of a 3D halo neutral model in the TRANSP code and application to projected NSTX-U plasmas

NASA Astrophysics Data System (ADS)

Medley, S. S.; Liu, D.; Gorelenkova, M. V.; Heidbrink, W. W.; Stagner, L.

2016-02-01

A 3D halo neutral code developed at the Princeton Plasma Physics Laboratory and implemented for analysis using the TRANSP code is applied to projected National Spherical Torus eXperiment-Upgrade (NSTX-U plasmas). The legacy TRANSP code did not handle halo neutrals properly since they were distributed over the plasma volume rather than remaining in the vicinity of the neutral beam footprint as is actually the case. The 3D halo neutral code uses a ‘beam-in-a-box’ model that encompasses both injected beam neutrals and resulting halo neutrals. Upon deposition by charge exchange, a subset of the full, one-half and one-third beam energy components produce first generation halo neutrals that are tracked through successive generations until an ionization event occurs or the descendant halos exit the box. The 3D halo neutral model and neutral particle analyzer (NPA) simulator in the TRANSP code have been benchmarked with the Fast-Ion D-Alpha simulation (FIDAsim) code, which provides Monte Carlo simulations of beam neutral injection, attenuation, halo generation, halo spatial diffusion, and photoemission processes. When using the same atomic physics database, TRANSP and FIDAsim simulations achieve excellent agreement on the spatial profile and magnitude of beam and halo neutral densities and the NPA energy spectrum. The simulations show that the halo neutral density can be comparable to the beam neutral density. These halo neutrals can double the NPA flux, but they have minor effects on the NPA energy spectrum shape. The TRANSP and FIDAsim simulations also suggest that the magnitudes of beam and halo neutral densities are relatively sensitive to the choice of the atomic physics databases.

Implementation of a 3D halo neutral model in the TRANSP code and application to projected NSTX-U plasmas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Medley, S. S.; Liu, D.; Gorelenkova, M. V.

2016-01-12

A 3D halo neutral code developed at the Princeton Plasma Physics Laboratory and implemented for analysis using the TRANSP code is applied to projected National Spherical Torus eXperiment-Upgrade (NSTX-U plasmas). The legacy TRANSP code did not handle halo neutrals properly since they were distributed over the plasma volume rather than remaining in the vicinity of the neutral beam footprint as is actually the case. The 3D halo neutral code uses a 'beam-in-a-box' model that encompasses both injected beam neutrals and resulting halo neutrals. Upon deposition by charge exchange, a subset of the full, one-half and one-third beam energy components producemore » first generation halo neutrals that are tracked through successive generations until an ionization event occurs or the descendant halos exit the box. The 3D halo neutral model and neutral particle analyzer (NPA) simulator in the TRANSP code have been benchmarked with the Fast-Ion D-Alpha simulation (FIDAsim) code, which provides Monte Carlo simulations of beam neutral injection, attenuation, halo generation, halo spatial diffusion, and photoemission processes. When using the same atomic physics database, TRANSP and FIDAsim simulations achieve excellent agreement on the spatial profile and magnitude of beam and halo neutral densities and the NPA energy spectrum. The simulations show that the halo neutral density can be comparable to the beam neutral density. These halo neutrals can double the NPA flux, but they have minor effects on the NPA energy spectrum shape. The TRANSP and FIDAsim simulations also suggest that the magnitudes of beam and halo neutral densities are relatively sensitive to the choice of the atomic physics databases.« less

The role of electronic mechanisms in surface erosion and glow phenomena

NASA Technical Reports Server (NTRS)

Haglund, Richard F., Jr.

1987-01-01

Experimental studies of desorption induced by electronic transitions (DIET) are described. Such studies are producing an increasingly complete picture of the dynamical pathways through which incident electronic energy is absorbed and rechanneled to produce macroscopic erosion and glow. These mechanistic studies can determine rate constants for erosion and glow processes in model materials and provide valuable guidance in materials selection and development. Extensive experiments with electron, photon, and heavy particle irradiation of alkali halides and other simple model materials have produced evidence showing that: (1) surface erosion, consisting primarily in the ejection or desorption of ground-state neutral atoms, occurs with large efficiencies for all irradiated species; (2) surface glow, resulting from the radiative decay of desorbed atoms, likewise occurs for all irradiating species; (3) the typical mechanism for ground-state neutral desorption is exciton formation, followed by relaxation to a permanent, mobile electronic defect which is the precursor to bond-breaking in the surface or near-surface bulk of the material; and (4) the mechanisms for excited atom formation may include curve crossing in atomic collisions, interactions with surface defect or impurity states, or defect diffusion.

HD 62542: Probing the Bare, Dense Core of an Interstellar Cloud

NASA Astrophysics Data System (ADS)

Welty, Daniel; Sonnentrucker, Paule G.; Rachford, Brian; Snow, Theodore; York, Donald G.

2018-01-01

We discuss the interstellar absorption from many atomic and molecular species seen in high-resolution HST/STIS UV spectra of the moderately reddened B3-5 V star HD 62542 [E(B-V) ~ 0.35; AV ~ 1.2]. This remarkable sight line exhibits both very steep far-UV extinction and a high fraction of hydrogen in molecular form -- with strong absorption from CH, C2, CN, and CO but weak absorption from CH+ and most of the commonly observed diffuse interstellar bands. Most of the material appears to reside in a single narrow velocity component -- thus offering a rare opportunity to probe the relatively dense, primarily molecular core of a single interstellar cloud, with little associated diffuse atomic gas.Detailed analyses of the absorption-line profiles seen in the UV spectra reveal a number of properties of the main diffuse molecular cloud toward HD 62542:1) The depletions of Mg, Si, and Fe are more severe than those seen in any other sight line, but the depletions of Cl and Kr are very mild; the overall pattern of depletions differs somewhat from those derived from larger samples of Galactic sight lines.2) The rotational excitation of H2 and C2 indicates that the gas is fairly cold (Tk = 40-45 K) and moderately dense (nH > 420 cm-3) somewhat higher densities are suggested by the fine-structure excitation of neutral carbon.3) The excitation temperatures characterizing the rotational populations of both 12CO (11.7 K) and 13CO (7.7 K) are higher than those typically found for Galactic diffuse molecular clouds.4) Carbon is primarily singly ionized -- N(C+) > N(CO) > N(C).5) The relative abundances of various trace neutral atomic species reflect the effects of both the steep far-UV extinction and the severe depletions of some elements.6) Differences in line widths for the various atomic and molecular species are suggestive of differences in spatial distribution within the main cloud.Support for this study was provided by NASA, via STScI grant GO-12277.008-A.

Rocket and spacecraft studies of ultraviolet emissions from astrophysical targets

NASA Technical Reports Server (NTRS)

Fastie, W. G.; Moos, H. W.; Feldman, P. D.; Henry, R. C.

1975-01-01

Rocket and spacecraft far-UV spectral measurements of several astrophysical targets are reviewed. These include observations of Ly-alpha emissions from Arcturus, Apollo-17 far-UV spectrometry of eta UMa and five other stars, Apollo-17 observations of the lunar atmosphere and the diffuse UV background, and far-UV spectral studies of Venus, Jupiter, and Comet Kohoutek. The Arcturus observations indicated a chromosphere with neutral atomic-hydrogen and atomic-oxygen emissions as well as a very weak atomic-carbon line. The planetary studies revealed O I and C I emissions in the Venusian spectrum as well as large Ly-alpha emissions and possible molecular-hydrogen emissions in that of Jupiter. The lunar observations demonstrated that solar protons do not produce an atomic-hydrogen atmosphere on the moon.

Carbon chain abundance in the diffuse interstellar medium

NASA Technical Reports Server (NTRS)

Allamandola, L. J.; Hudgins, D. M.; Bauschlicher, C. W. Jr; Langhoff, S. R.

1999-01-01

Thanks to the mid-IR sensitivities of the ISO and IRTS orbiting spectrometers it is now possible to search the diffuse interstellar medium for heretofore inaccessible molecular emission. In view of the recent strong case for the presence of C(7-) (Kirkwood et al. 1998, Tulej et al. 1998),and the fact that carbon chains possess prominent infrared active modes in a very clean portion of the interstellar spectrum, we have analyzed the IRTS spectrum of the diffuse interstellar medium for the infrared signatures of these species. Theoretical and experimental infrared band frequencies and absolute intensities of many different carbon chain species are presented. These include cyanopolyynes, neutral and anionic linear carbon molecules, and neutral and ionized, even-numbered, hydrogenated carbon chains. We show that--as a family--these species have abundances in the diffuse ISM on the order of 10(-10) with respect to hydrogen, values consistent with their abundances in dense molecular clouds. Assuming an average length of 10 C atoms per C-chain implies that roughly a millionth of the cosmically available carbon is in the form of carbon chains and that carbon chains can account for a few percent of the visible to near-IR diffuse interstellar band (DIB) total equivalent width (not DIB number).

Extreme Doppler Shifting of Io's Neutral Jets

NASA Astrophysics Data System (ADS)

Schmidt, Carl

2017-08-01

The dynamics and the extension of Jupiter's magnetosphere are determined by the massive internal plasma sources combined with the fast rotation. The vast majority of the plasma originates from the atmosphere of the moon Io, the most volcanically active body in our solar system. Here we propose to characterize the density and velocity of energetic neutral atoms escaping from Io's atmosphere. Exploiting the high resolution and sensitivity of the COS G130M spectral mode, we will measure the Doppler velocities of atomic O, S and Cl streams, which are energized through charge exchange and dissociative recombination of molecular ions. Prior COS observations of Io revealed a large number of emission lines from several ion and neutral species with excellent S/N, obtained over a single HST orbit. Those spectra were obtained surrounding eclipse geometry, where Doppler shifts are minimized and were restricted to Io itself rather than the stream region. Here we will target the extended clouds with only two orbits total when the moon is at eastern and western elongation for maximum Doppler shifts. The observations will provide new constraints on the diffuse large-scale cloud structures in the Jovian system and significantly improve our understanding of the transport of mass and energy within the Io-torus interaction. The absolute brightness, in combination with plasma parameters from line ratios/collision strengths, will allow us to quantify the outflow of energetic neutral atoms from Io's main sulfur-oxygen atmosphere for the first time.

Observation of copper atoms behavior in a vacuum arc discharge using laser spectroscopy

NASA Astrophysics Data System (ADS)

Sung, Y. M.; Hayashi, Y.; Okraku-Yirenkyi, Y.; Otsubo, M.; Honda, C.; Sakoda, T.

2003-01-01

In order to investigate the most important parameters influencing the breaking characteristic of a vacuum circuit breaker (VCB), the behavior of copper (Cu) particles emitted from electrodes designed as an imitation of a vacuum valve of the VCB was observed. The temporal-spatial intensity distributions due to Cu particles in an excited state or a neutral state were measured using the laser induced fluorescence (LIF) technique and a charge coupled device camera attached with a special filter. The diffusion velocity of a Cu atom was also investigated by evaluating a Doppler shift of the LIF signal. The results showed that most Cu particles were emitted from the anode and were in an excited state or an ionized state during an arc discharge. Also, Cu particles were distributed between electrodes even after the discharge chocked, and its diffusion velocity in the direction of the cathode from the anode was about 2.6 km/s.

A high flux source of swift oxygen atoms

NASA Technical Reports Server (NTRS)

Fink, M.; Kohl, D. A.; Keto, J. W.; Antoniewicz, P.

1987-01-01

A source of swift oxygen atoms is described which has several unique features. A high current ion beam is produced by a microwave discharge, accelerated to 10 keV and the mass selected by a modified Du Pont 21-110 mass spectrometer. The O(+) beam exciting the mass spectrometer is focused into a rectangular shape with an energy spread of less than 1 eV. The next section of the machine decelerates the ion beam into a counterpropagating electron beam in order to minimize space charge effects. After deceleration, the ion beam intersects at 90 deg, a neutral oxygen atom beam, which via resonant charge exchange produces a mixture of O(+) and O. Any remaining O(+) are swept out of the beam by an electric field and differentially pumped away while the desired O beam, collimated by slits, impinges on the target. In situ monitoring of the target surface is done by X-ray photoelectron or Auger spectroscopy. Faraday cups provide flux measurements in the ion sections while the neutral flux is determined by a special torsion balance or by a quadrupole mass spectrometer specially adapted for swift atoms. While the vacuum from the source through the mass spectrometer is maintained by diffusion pumps, the rest of the machine is UHV.

Atom-Level Understanding of the Sodiation Process in Silicon Anode Material.

PubMed

Jung, Sung Chul; Jung, Dae Soo; Choi, Jang Wook; Han, Young-Kyu

2014-04-03

Despite the exceptionally large capacities in Li ion batteries, Si has been considered inappropriate for applications in Na ion batteries. We report an atomic-level study on the applicability of a Si anode in Na ion batteries using ab initio molecular dynamics simulations. While crystalline Si is not suitable for alloying with Na atoms, amorphous Si can accommodate 0.76 Na atoms per Si atom, corresponding to a specific capacity of 725 mA h g(-1). Bader charge analyses reveal that the sodiation of an amorphous Si electrode continues until before the local Na-rich clusters containing neutral Na atoms are formed. The amorphous Na0.76Si phase undergoes a volume expansion of 114% and shows a Na diffusivity of 7 × 10(-10) cm(2) s(-1) at room temperature. Overall, the amorphous Si phase turns out quite attractive in performance compared to other alloy-type anode materials. This work suggests that amorphous Si might be a competitive candidate for Na ion battery anodes.

Efficient acceleration of neutral atoms in laser produced plasma

DOE PAGES

Dalui, M.; Trivikram, T. M.; Colgan, James Patrick; ...

2017-06-20

Recent advances in high-intensity laser-produced plasmas have demonstrated their potential as compact charge particle accelerators. Unlike conventional accelerators, transient quasi-static charge separation acceleration fields in laser produced plasmas are highly localized and orders of magnitude larger. Manipulating these ion accelerators, to convert the fast ions to neutral atoms with little change in momentum, transform these to a bright source of MeV atoms. The emittance of the neutral atom beam would be similar to that expected for an ion beam. Since intense laser-produced plasmas have been demonstrated to produce high-brightness-low-emittance beams, it is possible to envisage generation of high-flux, low-emittance, highmore » energy neutral atom beams in length scales of less than a millimeter. Here, we show a scheme where more than 80% of the fast ions are reduced to energetic neutral atoms and demonstrate the feasibility of a high energy neutral atom accelerator that could significantly impact applications in neutral atom lithography and diagnostics.« less

Quantum delayed-choice experiment with a single neutral atom.

PubMed

Li, Gang; Zhang, Pengfei; Zhang, Tiancai

2017-10-01

We present a proposal to implement a quantum delayed-choice (QDC) experiment with a single neutral atom, such as a rubidium or cesium atom. In our proposal, a Ramsey interferometer is adopted to observe the wave-like or particle-like behaviors of a single atom depending on the existence or absence of the second π/2-rotation. A quantum-controlled π/2-rotation on target atom is realized through a Rydberg-Rydberg interaction by another ancilla atom. It shows that a heavy neutral atom can also have a morphing behavior between the particle and the wave. The realization of the QDC experiment with such heavy neutral atoms not only is significant to understand the Bohr's complementarity principle in matter-wave and matter-particle domains but also has great potential on the quantum information process with neutral atoms.

Generation and acceleration of neutral atoms in intense laser plasma experiments

NASA Astrophysics Data System (ADS)

Tata, Sheroy; Mondal, Angana; Sarkar, Shobhik; Ved, Yash; Lad, Amit D.; Pasley, John; Colgan, James; Krishnamurthy, M.

2017-10-01

The interaction of a high intensity (>=1018 W/cm2), high contrast (>=109), ultra-short (30fs) laser with solid targets generates a highly dense hot plasma. The quasi-static electric fields in such plasmas are well known for ion acceleration via the target normal sheath acceleration process. Under such conditions charge reduction to generate fast neutral atoms is almost inhibited. Improvised Thomson parabola spectrometry with improved signal to noise ratio has enabled us to measure the signals of fast neutral atoms and negative ions having energies in excess of tens of keV. A study on the neutralization of accelerated protons in plasma shows that the neutral atom to all particle ratio rises sharply from a few percent at the highest detectable energy to 50 % at 15 keV. Using usual charge transfer reactions the generation of neutral atoms can not be explained, thus we conjecture that the neutralization of the accelerated ions is not from the hot dense region of the plasma but neutral atom formation takes place by co-propagating ions with low energy electrons enhancing the effective neutral ratio.

Comparative surface dynamics of amorphous and semicrystalline polymer films

PubMed Central

Becker, James S.; Brown, Ryan D.; Killelea, Daniel R.; Yuan, Hanqiu; Sibener, S. J.

2011-01-01

The surface dynamics of amorphous and semicrystalline polymer films have been measured using helium atom scattering. Time-of-flight data were collected to resolve the elastic and inelastic scattering components in the diffuse scattering of neutral helium atoms from the surface of a thin poly(ethylene terephthalate) film. Debye–Waller attenuation was observed for both the amorphous and semicrystalline phases of the polymer by recording the decay of elastically scattered helium atoms with increasing surface temperature. Thermal attenuation measurements in the specular scattering geometry yielded perpendicular mean-square displacements of 2.7•10-4 Å2 K-1 and 3.1•10-4 Å2 K-1 for the amorphous and semicrystalline surfaces, respectively. The semicrystalline surface was consistently ∼15% softer than the amorphous across a variety of perpendicular momentum transfers. The Debye–Waller factors were also measured at off-specular angles to characterize the parallel mean-square displacements, which were found to increase by an order of magnitude over the perpendicular mean-square displacements for both surfaces. In contrast to the perpendicular motion, the semicrystalline state was ∼25% stiffer than the amorphous phase in the surface plane. These results were uniquely accessed through low-energy neutral helium atom scattering due to the highly surface-sensitive and nonperturbative nature of these interactions. The goal of tailoring the chemical and physical properties of complex advanced materials requires an improved understanding of interfacial dynamics, information that is obtainable through atomic beam scattering methods. PMID:20713734

Ground Levels and Ionization Energies for the Neutral Atoms

National Institute of Standards and Technology Data Gateway

SRD 111 Ground Levels and Ionization Energies for the Neutral Atoms (Web, free access)   Data for ground state electron configurations and ionization energies for the neutral atoms (Z = 1-104) including references.

Resolving the Origin of the Diffuse Soft X-ray Background

NASA Technical Reports Server (NTRS)

Smith, Randall K.; Foster, Adam R.; Edgar, Ricard J.; Brickhouse, Nancy S.; Sanders, Wilton T.

2012-01-01

In January 1993, the Diffuse X-ray Spectrometer (DXS) measured the first high-resolution spectrum of the diffuse soft X-ray background between 44-80A. A line-dominated spectrum characteristic of a 10(exp 6)K collisionally ionized plasma' was expected but while the observed spectrum was clearly line-dominated, no model would fit. Then in 2003 the Cosmic Hot Interstellar Plasma Spectrometer (CHIPS) launched and observed the diffuse extreme-ultraviolet (EUV) spectrum between 90- 265A. Although many emission lines were again expected; only Fe IX at 171.1A was detected. The discovery of X-rays from comets led to the realization that heavy ions (Z=6-28) in the solar wind will emit soft X-rays as the ions interact via charge exchange with neutral atoms in the heliosphere and geocorona. Using a new model for solar wind charge exchange (SWCX) emission, we show that the diffuse soft X-ray background can be understood as a combination of emission from charge exchange onto the slow and fast solar wind together with a more distant and diffuse hot (10(exp 6)K) plasma.

Influence of molecular shape, conformability, net surface charge, and tissue interaction on transscleral macromolecular diffusion.

PubMed

Srikantha, Nishanthan; Mourad, Fatma; Suhling, Klaus; Elsaid, Naba; Levitt, James; Chung, Pei Hua; Somavarapu, Satyanarayana; Jackson, Timothy L

2012-09-01

The purpose of this study was to investigate the influence of molecular shape, conformability, net surface charge and tissue interaction on transscleral diffusion. Unfixed, porcine sclera was clamped in an Ussing chamber. Fluorophore-labelled neutral albumin, neutral dextran, or neutral ficoll were placed in one hemi-chamber and the rate of transscleral diffusion was measured over 24 h using a spectrophotometer. Experiments were repeated using dextrans and ficoll with positive or negative net surface charges. Fluorescence recovery after photobleaching (FRAP) was undertaken to compare transscleral diffusion with diffusion through a solution. All molecules were 70 kDa. With FRAP, the diffusion coefficient (D) of neutral molecules was highest for albumin, followed by ficoll, then dextran (p < 0.0001). Positive dextrans diffused fastest, followed by negative, then neutral dextrans (p = 0.0004). Neutral ficoll diffused the fastest, followed by positive then negative ficoll (p = 0.5865). For the neutral molecules, transscleral D was highest for albumin, followed by dextran, then ficoll (p < 0.0001). D was highest for negative ficoll, followed by neutral, then positive ficoll (p < 0.0001). By contrast, D was highest for positive dextran, followed by neutral, then negative dextran (p = 0.0021). In conclusion, diffusion in free solution does not predict transscleral diffusion and the molecular-tissue interaction is important. Molecular size, shape, and charge may all markedly influence transscleral diffusion, as may conformability to a lesser degree, but their effects may be diametrically opposed in different molecules, and their influence on diffusion is more complex than previously thought. Each variable cannot be considered in isolation, and the interplay of all these variables needs to be tested, when selecting or designing drugs for transscleral delivery. Copyright © 2012 Elsevier Ltd. All rights reserved.

Thermal equilibrium concentration of intrinsic point defects in heavily doped silicon crystals - Theoretical study of formation energy and formation entropy in area of influence of dopant atoms-

NASA Astrophysics Data System (ADS)

Kobayashi, K.; Yamaoka, S.; Sueoka, K.; Vanhellemont, J.

2017-09-01

It is well known that p-type, neutral and n-type dopants affect the intrinsic point defect (vacancy V and self-interstitial I) behavior in single crystal Si. By the interaction with V and/or I, (1) growing Si crystals become more V- or I-rich, (2) oxygen precipitation is enhanced or retarded, and (3) dopant diffusion is enhanced or retarded, depending on the type and concentration of dopant atoms. Since these interactions affect a wide range of Si properties ranging from as-grown crystal quality to LSI performance, numerical simulations are used to predict and to control the behavior of both dopant atoms and intrinsic point defects. In most cases, the thermal equilibrium concentrations of dopant-point defect pairs are evaluated using the mass action law by taking only the binding energy of closest pair to each other into account. The impacts of dopant atoms on the formation of V and I more distant than 1st neighbor and on the change of formation entropy are usually neglected. In this study, we have evaluated the thermal equilibrium concentrations of intrinsic point defects in heavily doped Si crystals. Density functional theory (DFT) calculations were performed to obtain the formation energy (Ef) of the uncharged V and I at all sites in a 64-atom supercell around a substitutional p-type (B, Ga, In, and Tl), neutral (C, Ge, and Sn) and n-type (P, As, and Sb) dopant atom. The formation (vibration) entropies (Sf) of free I, V and I, V at 1st neighboring site from B, C, Sn, P and As atoms were also calculated with the linear response method. The dependences of the thermal equilibrium concentrations of trapped and total intrinsic point defects (sum of free I or V and I or V trapped with dopant atoms) on the concentrations of B, C, Sn, P and As in Si were obtained. Furthermore, the present evaluations well explain the experimental results of the so-called ;Voronkov criterion; in B and C doped Si, and also the observed dopant dependent void sizes in P and As doped Si crystals. The expressions obtained in the present work are very useful for the numerical simulation of grown-in defect behavior, oxygen precipitation and dopant diffusion in heavily doped Si. DFT calculations also showed that Coulomb interaction reaches approximately 30 Å from p (n)-type dopant atoms to I (V) in Si.

Comparison of fluid neutral models for one-dimensional plasma edge modeling with a finite volume solution of the Boltzmann equation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Horsten, N., E-mail: niels.horsten@kuleuven.be; Baelmans, M.; Dekeyser, W.

2016-01-15

We derive fluid neutral approximations for a simplified 1D edge plasma model, suitable to study the neutral behavior close to the target of a nuclear fusion divertor, and compare its solutions to the solution of the corresponding kinetic Boltzmann equation. The plasma is considered as a fixed background extracted from a detached 2D simulation. We show that the Maxwellian equilibrium distribution is already obtained very close to the target, justifying the use of a fluid approximation. We compare three fluid neutral models: (i) a diffusion model; (ii) a pressure-diffusion model (i.e., a combination of a continuity and momentum equation) assumingmore » equal neutral and ion temperatures; and (iii) the pressure-diffusion model coupled to a neutral energy equation taking into account temperature differences between neutrals and ions. Partial reflection of neutrals reaching the boundaries is included in both the kinetic and fluid models. We propose two methods to obtain an incident neutral flux boundary condition for the fluid models: one based on a diffusion approximation and the other assuming a truncated Chapman-Enskog distribution. The pressure-diffusion model predicts the plasma sources very well. The diffusion boundary condition gives slightly better results overall. Although including an energy equation still improves the results, the assumption of equal ion and neutral temperature already gives a very good approximation.« less

SIEST-A-RT: a study of vacancy diffusion in crystalline silicon using a local-basis first-principle (SIESTA) activation technique (ART).

NASA Astrophysics Data System (ADS)

El Mellouhi, Fedwa; Mousseau, Normand; Ordejón, Pablo

2003-03-01

We report on a first-principle study of vacancy-induced self-diffusion in crystalline silicon. Our simulations are performed on supercells containing 63 and 215 atoms. We generate the diffusion paths using the activation-relaxation technique (ART) [1], which can sample efficiently the energy landscape of complex systems. The forces and energy are evaluated using SIESTA [2], a selfconsistent density functional method using standard norm-conserving pseudopotentials and a flexible numerical linear combination of atomic orbitals basis set. Combining these two methods allows us to identify diffusion paths that would not be reachable with this degree of accuracy, using other methods. After a full relaxation of the neutral vacancy, we proceed to search for local diffusion paths. We identify various mechanisms like the formation of the four fold coordinated defect, and the recombination of dangling bonds by WWW process. The diffusion of the vacancy proceeds by hops to first nearest neighbor with an energy barrier of 0.69 eV. This work is funded in part by NSERC and NATEQ. NM is a Cottrell Scholar of the Research Corporation. [1] G. T. Barkema and N. Mousseau, Event-based relaxation of continuous disordered systems, Phys. Rev. Lett. 77, 4358 (1996); N. Mousseau and G. T. Barkema, Traveling through potential energy landscapes of disordered materials: ART, Phys. Rev. E 57, 2419 (1998). [2] Density functional method for very large systems with LCAO basis sets D. Sánchez-Portal, P. Ordejón, E. Artacho and J. M. Soler, Int. J. Quant. Chem. 65, 453 (1997).

Neutral atom imaging at Mercury

NASA Astrophysics Data System (ADS)

Mura, A.; Orsini, S.; Milillo, A.; Di Lellis, A. M.; De Angelis, E.

2006-02-01

The feasibility of neutral atom detection and imaging in the Hermean environment is discussed in this study. In particular, we consider those energetic neutral atoms (ENA) whose emission is directly related to solar wind entrance into Mercury's magnetosphere. In fact, this environment is characterised by a weak magnetic field; thus, cusp regions are extremely large if compared to the Earth's ones, and intense proton fluxes are expected there. Our study includes a model of H + distribution in space, energy and pitch angle, simulated by means of a single-particle, Monte-Carlo simulation. Among processes that could generate neutral atom emission, we focus our attention on charge-exchange and ion sputtering, which, in principle, are able to produce directional ENA fluxes. Simulated neutral atom images are investigated in the frame of the neutral particle analyser-ion spectrometer (NPA-IS) SERENA experiment, proposed to fly on board the ESA mission BepiColombo/MPO. The ELENA (emitted low-energy neutral atoms) unit, which is part of this experiment, will be able to detect such fluxes; instrumental details and predicted count rates are given.

Observing heliospheric neutral atoms at 1 AU

NASA Astrophysics Data System (ADS)

Heerikhuisen, Jacob; Pogorelov, Nikolai; Florinski, Vladimir; Zank, Gary

2006-09-01

Although in situ observations of distant heliospheric plasma by the Voyagers has proven to be extremely enlightening, such point observations need to be complemented with global measurements taken remotely to obtain a complete picture of the heliosphere and local interstellar environment. Neutral atoms, with their contempt for magnetic fields, provide useful probes of the plasma that generated them. However, there will be a number of ambiguities in neutral atom readings that require a deeper understanding of the plasma processes generating neutral atoms, as well as the loss mechanisms on their flight to the observation point. We introduce a procedure for generating all-sky maps of energetic H-atoms, calculated directly in our Monte-Carlo neutral atom code. Results obtained for a self-consistent axisymmetric MHD-Boltzmann calculation, as well as several non-selfconsistent 3D sky maps, will be presented.

Neutralization of beam-emitting spacecraft by plasma injection

NASA Technical Reports Server (NTRS)

Sasaki, S.; Kawashima, N.; Kuriki, K.; Yanagisawa, M.; Obayashi, T.; Roberts, W. T.; Reasoner, D. L.; Taylor, W. W. L.

1987-01-01

An impulsive plasma injection has been used to study charge neutralization of the Space Shuttle Orbiter while it was emitting an electron beam into space. This investigation was performed by Space Experiments with Particle Accelerators on Spacelab-1. A plasma consisting of 10 to the 19th argon ion-electron pairs was injected into space for 1 ms while an electron beam was also being emitted into space. The electron beam energy and current were as high as 5 keV and 300 mA. While the orbiter potential was positive before the plasma injection and began to decrease during the plasma injection, it was near zero for 6 to 20 ms after the plasma injection. The recovery time to the initial level of charging varied from 10 to 100 ms. In a laboratory test in a large space chamber using the same flight hardware, the neutralization time was 8-17 ms and the recovery time was 11-20 ms. The long duration of the neutralization effect in space can be explained by a model of diffusion of the cold plasma which is produced near the Orbiter by charge exchange between the neutral argon atoms and the energetic argon ions during plasma injection.

Surface conversion techniques for low energy neutral atom imagers

NASA Technical Reports Server (NTRS)

Quinn, J. M.

1995-01-01

This investigation has focused on development of key technology elements for low energy neutral atom imaging. More specifically, we have investigated the conversion of low energy neutral atoms to negatively charged ions upon reflection from specially prepared surfaces. This 'surface conversion' technique appears to offer a unique capability of detecting, and thus imaging, neutral atoms at energies of 0.01 - 1 keV with high enough efficiencies to make practical its application to low energy neutral atom imaging in space. Such imaging offers the opportunity to obtain the first instantaneous global maps of macroscopic plasma features and their temporal variation. Through previous in situ plasma measurements, we have a statistical picture of large scale morphology and local measurements of dynamic processes. However, with in situ techniques it is impossible to characterize or understand many of the global plasma transport and energization processes. A series of global plasma images would greatly advance our understanding of these processes and would provide the context for interpreting previous and future in situ measurements. Fast neutral atoms, created from ions that are neutralized in collisions with exospheric neutrals, offer the means for remotely imaging plasma populations. Energy and mass analysis of these neutrals provides critical information about the source plasma distribution. The flux of neutral atoms available for imaging depends upon a convolution of the ambient plasma distribution with the charge exchange cross section for the background neutral population. Some of the highest signals are at relatively low energies (well below 1 keV). This energy range also includes some of the most important plasma populations to be imaged, for example the base of the cleft ion fountain.

H atoms in CH4 and Xe matrices at cryogenic temperatures

NASA Astrophysics Data System (ADS)

Willard, J. E.

1982-07-01

Cryogenic techniques coupled with electron spin resonance detection methods have made it possible to produce long-lived trapped hydrogen atoms in inert matrices at 4 K and to study their reactions with neutral molecules and molecular fragments when the temperature is raised to the point where they diffuse. Under the matrix conditions H atoms abstract H rapidly from all carbon-hydrogen bonds (except those of CH 4) by quantum mechanical tunnelling, even though such reactions would be precluded if the classical activation energy prevailed. Thermal H atoms in CH 4 at 15 K add to CO to form the HCO radical, and to O 2 to form the HO 2 radical. When exposed to the appropriate wavelength of light these and other radicals, including CH 3, C 2H 5 and C 2H 3 lose H by photoelimination. The H atoms are produced in the matrices by X radiolysis, γ-ray radiolysis, or photolysis of a hydrogen halide. This paper reviews some of the most significant current findings in the field from different laboratories.

Investigation of the abnormal Zn diffusion phenomenon in III-V compound semiconductors induced by the surface self-diffusion of matrix atoms

NASA Astrophysics Data System (ADS)

Tang, Liangliang; Xu, Chang; Liu, Zhuming

2017-01-01

Zn diffusion in III-V compound semiconductorsare commonly processed under group V-atoms rich conditions because the vapor pressure of group V-atoms is relatively high. In this paper, we found that group V-atoms in the diffusion sources would not change the shaped of Zn profiles, while the Zn diffusion would change dramatically undergroup III-atoms rich conditions. The Zn diffusions were investigated in typical III-V semiconductors: GaAs, GaSb and InAs. We found that under group V-atoms rich or pure Zn conditions, the double-hump Zn profiles would be formed in all materials except InAs. While under group III-atoms rich conditions, single-hump Zn profiles would be formed in all materials. Detailed diffusion models were established to explain the Zn diffusion process; the surface self-diffusion of matrix atoms is the origin of the abnormal Zn diffusion phenomenon.

The plasma-wall transition layers in the presence of collisions with a magnetic field parallel to the wall

NASA Astrophysics Data System (ADS)

Moritz, J.; Faudot, E.; Devaux, S.; Heuraux, S.

2018-01-01

The plasma-wall transition is studied by means of a particle-in-cell (PIC) simulation in the configuration of a parallel to the wall magnetic field (B), with collisions between charged particles vs. neutral atoms taken into account. The investigated system consists of a plasma bounded by two absorbing walls separated by 200 electron Debye lengths (λd). The strength of the magnetic field is chosen such as the ratio λ d / r l , with rl being the electron Larmor radius, is smaller or larger than unity. Collisions are modelled with a simple operator that reorients randomly ion or electron velocity, keeping constant the total kinetic energy of both the neutral atom (target) and the incident charged particle. The PIC simulations show that the plasma-wall transition consists in a quasi-neutral region (pre-sheath), from the center of the plasma towards the walls, where the electric potential or electric field profiles are well described by an ambipolar diffusion model, and in a second region at the vicinity of the walls, called the sheath, where the quasi-neutrality breaks down. In this peculiar geometry of B and for a certain range of the mean-free-path, the sheath is found to be composed of two charged layers: the positive one, close to the walls, and the negative one, towards the plasma and before the neutral pre-sheath. Depending on the amplitude of B, the spatial variation of the electric potential can be non-monotonic and presents a maximum within the sheath region. More generally, the sheath extent as well as the potential drop within the sheath and the pre-sheath is studied with respect to B, the mean-free-path, and the ion and electron temperatures.

Assessment of the Polycyclic Aromatic Hydrocarbon-Diffuse Interstellar Band Proposal

NASA Technical Reports Server (NTRS)

Salama, Farid; Bakes, F.; Allamandola, L.; Tielens, A. G. G. M.; Witteborn, Fred C. (Technical Monitor)

1995-01-01

The potential link between neutral and/or ionized polycyclic aromatic hydrocarbons (PAHs) and the diffuse interstellar band (DIB) carriers is examined. Based on the study of the general physical and chemical properties of PAHs, an assessment is made of their possible contribution to the DIB carriers. It is found that, under the conditions reigning in the diffuse interstellar medium, PAHs can be present in the form of neutral molecules as well as positive and/or negative ions. The charge distribution of small PAHs is dominated, however, by two charge states at one time with compact PAHs present only in the neutral and cationic forms. Each PAH has a distinct spectral signature depending on its charge state. Moreover, the spectra of ionized PAHs are always clearly dominated by a single band in the DIB spectral range. In the case of compact PAH ions, the strongest absorption band is of type A (i.e., the band is broad, falls in the high energy range of the spectrum, and possess a large oscillator strength), and seems to correlate with strong and broad DIBs. In the case of non-compact PAH ions, the strongest absorption band is of type I (i.e., the band is narrow, falls in the low energy range of the spectrum, and possess a small oscillator strength), and seems to correlate with weak and narrow DIBs. Potential molecular size and structure constraints for interstellar PAHs are derived by comparing known DIB characteristics to the spectroscopic properties of PAHs. It is found that: (i) Only neutral PAHs larger than about 30 carbon atoms could, if present, contribute to the DIBs. (ii) For compact PAHs, only ions with less than about 250 carbon atoms could, if present, contribute to the DIBs. (iii) The observed distribution of the DIBs between strong/moderate and broad bands on the one hand and weak and narrow bands on the other hand can easily be interpreted in the context of the PAH proposal by a distribution between compact and non-compact PAH ions, respectively. A plausible correlation between PAH charge states and DIB "families" is thus provided by the PAH-DIB proposal. Following this proposal, DIB families would provide tracers of conditions within a cloud which globally determine the relative importance of cations, anions, and neutral species, rather than tracers of a specific species. Observational predictions are given to establish the viability of the PAH hypothesis. It is concluded that small PAH ions are very promising candidates as DIB carriers provided their population is dominated by a finite number (100-200) of species. A key test for the PAH proposal, consisting of laboratory and astronomical investigations of the ultraviolet range, is called for.

Assessment of the polycyclic aromatic hydrocarbon-diffuse interstellar band proposal

NASA Technical Reports Server (NTRS)

Salama, F.; Bakes, E. L.; Allamandola, L. J.; Tielens, A. G.

1996-01-01

The potential link between neutral and/or ionized polycyclic aromatic hydrocarbons (PAHs) and the diffuse interstellar band (DIB) carriers is examined. Based on the study of the general physical and chemical properties of PAHs, an assessment is made of their possible contribution to the DIB carriers. It is found that, under the conditions reigning in the diffuse interstellar medium, PAHs can be present in the form of neutral molecules as well as positive and/or negative ions. The charge distribution of small PAHs is dominated, however, by two charge states at one time with compact PAHs present only in the neutral and cationic forms. Each PAH has a distinct spectral signature depending on its charge state. Moreover, the spectra of ionized PAHs are always clearly dominated by a single band in the DIB spectral range. In the case of compact PAH ions, the strongest absorption band is of type A (i.e., the band is broad, falls in the high-energy range of the spectrum, and possesses a large oscillator strength), and seems to correlate with strong and broad DIBs. For noncompact PAH ions, the strongest absorption band is of type I (i.e., the band is narrow, falls in the low-energy range of the spectrum, and possesses a small oscillator strength), and seems to correlate with weak and narrow DIBs. Potential molecular size and structure constraints for interstellar PAHs are derived by comparing known DIB characteristics to the spectroscopic properties of PAHs. It is found that (i) only neutral PAHs larger than about 30 carbon atoms could, if present, contribute to the DIBs. (ii) For compact PAHs, only ions with less than about 250 carbon atoms could, if present, contribute to the DIBs. (iii) The observed distribution of the DIBs between strong/moderate and broad bands on the one hand and weak and narow bands on the other can easily be interpreted in the context of the PAH proposal by a distribution of compact and noncompact PAH ions, respectively. A plausible correlation between PAH charge states and DIB "families" is thus provided by the PAH-DIB proposal. Following this proposal, DIB families would reflect conditions within a cloud which locally determine the relative importance of cations, anions, and neutral species, rather than tracers of a specific species. Observational predictions are given to establish the viability of the PAH hypothesis. It is concluded that small PAH ions are very promising candidates as DIB carriers provided their population is dominated by a finite number (100-200) of species. A key test for the PAH proposal, consisting of laboratory and astronomical investigations in the ultraviolet range, is called for.

Control relaxation via dephasing: A quantum-state-diffusion study

NASA Astrophysics Data System (ADS)

Jing, Jun; Yu, Ting; Lam, Chi-Hang; You, J. Q.; Wu, Lian-Ao

2018-01-01

Dynamical decoupling as a quantum control strategy aims at suppressing quantum decoherence adopting the popular philosophy that the disorder in the unitary evolution of the open quantum system caused by environmental noises should be neutralized by a sequence of ordered or well-designed external operations acting on the system. This work studies the solution of quantum-state-diffusion equations by mixing two channels of environmental noises, i.e., relaxation (dissipation) and dephasing. It is interesting to find in two-level and three-level atomic systems that a non-Markovian relaxation or dissipation process can be suppressed by a Markovian dephasing noise. The discovery results in an anomalous control strategy by coordinating relaxation and dephasing processes. Our approach opens an avenue of noise control strategy with no artificial manipulation over the open quantum systems.

Potentialities of a new sigma(+)-sigma(-)laser configuration for radiative cooling and trapping

NASA Astrophysics Data System (ADS)

Dalibard, J.; Reynaud, S.; Cohen-Tannoudji, C.

1984-11-01

In the process of cooling and trapping neutral atoms, a new laser configuration is investigated which consists of two counterpropagating laser beams with orthogonal sigma(+) and sigma(-)polarizations. It is shown that such a configuration looks more promising than an ordinary standing wave (where the two counterpropagating waves have the same polarization), and this result is explained as being due to angular momentum conservation which prevents any coherent redistribution of photons between the two waves. The present conclusions are based on a quantitative calculation of the various parameters (potential depth, friction coefficient, diffusion coefficient) describing the mean value and the fluctuations of the radiative forces experienced, in such a laser configuration, by an atom with a J = 0 ground state and a J = 1 excited state.

Coherent Addressing of Individual Neutral Atoms in a 3D Optical Lattice.

PubMed

Wang, Yang; Zhang, Xianli; Corcovilos, Theodore A; Kumar, Aishwarya; Weiss, David S

2015-07-24

We demonstrate arbitrary coherent addressing of individual neutral atoms in a 5×5×5 array formed by an optical lattice. Addressing is accomplished using rapidly reconfigurable crossed laser beams to selectively ac Stark shift target atoms, so that only target atoms are resonant with state-changing microwaves. The effect of these targeted single qubit gates on the quantum information stored in nontargeted atoms is smaller than 3×10^{-3} in state fidelity. This is an important step along the path of converting the scalability promise of neutral atoms into reality.

Understanding Molecular Ion-Neutral Atom Collisions for the Production of Ultracold Molecular Ions

DTIC Science & Technology

2016-06-06

Understanding Molecular Ion-Neutral Atom Collisions for the Production of Utracold Molecular Ions In the last five years, the study of ultracold...U.S. Army Research Office P.O. Box 12211 Research Triangle Park, NC 27709-2211 molecular ion, quantum chemistry, atom ion interaction...Molecular Ion-Neutral Atom Collisions for the Production of Utracold Molecular Ions Report Title In the last five years, the study of ultracold molecular

THE FRACTIONAL IONIZATION OF THE WARM NEUTRAL INTERSTELLAR MEDIUM

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jenkins, Edward B., E-mail: ebj@astro.princeton.edu

2013-02-10

When the neutral interstellar medium is exposed to extreme-ultraviolet and soft X-ray radiation, the argon atoms in it are far more susceptible to being ionized than the hydrogen atoms. We make use of this fact to determine the level of ionization in the nearby warm neutral medium. By analyzing Far-Ultraviolet Spectroscopic Explorer observations of ultraviolet spectra of 44 hot subdwarf stars a few hundred parsecs away from the Sun, we can compare column densities of Ar I to those of O I, where the relative ionization of oxygen can be used as a proxy for that of hydrogen. The measuredmore » deficiency [Ar I/O I]=-0.427{+-}0.11 dex below the expectation for a fully neutral medium implies that the electron density n(e) Almost-Equal-To 0.04 cm{sup -3} if n(H) = 0.5 cm{sup -3}. This amount of ionization is considerably larger than what we expect from primary photoionizations resulting from cosmic rays, the diffuse X-ray background, and X-ray emitting sources within the medium, along with the additional ionizations caused by energetic secondary photoelectrons, Auger electrons, and photons from helium recombinations. We favor an explanation that bursts of radiation created by previous, nearby supernova remnants that have faded by now may have elevated the ionization, and the gas has not yet recombined to a quiescent level. A different alternative is that the low-energy portion of the soft X-ray background is poorly shielded by the H I because it is frothy and has internal pockets of very hot, X-ray emitting gases.« less

Far-infrared study of tracers of oxygen chemistry in diffuse clouds

NASA Astrophysics Data System (ADS)

Wiesemeyer, H.; Güsten, R.; Heyminck, S.; Hübers, H. W.; Menten, K. M.; Neufeld, D. A.; Richter, H.; Simon, R.; Stutzki, J.; Winkel, B.; Wyrowski, F.

2016-01-01

Context. The chemistry of the diffuse interstellar medium rests upon three pillars: exothermic ion-neutral reactions ("cold chemistry"), endothermic neutral-neutral reactions with significant activation barriers ("warm chemistry"), and reactions on the surfaces of dust grains. While warm chemistry becomes important in the shocks associated with turbulent dissipation regions, the main path for the formation of interstellar OH and H2O is that of cold chemistry. Aims: The aim of this study is to observationally confirm the association of atomic oxygen with both atomic and molecular gas phases, and to understand the measured abundances of OH and OH+ as a function of the available reservoir of H2. Methods: We obtained absorption spectra of the ground states of OH, OH+ and O I with high-velocity resolution, with GREAT onboard SOFIA, and with the THz receiver at the APEX. We analyzed them along with ancillary spectra of HF and CH from HIFI. To deconvolve them from the hyperfine structure and to separate the blend that is due to various velocity components on the sightline, we fit model spectra consisting of an appropriate number of Gaussian profiles using a method combining simulated annealing with downhill simplex minimization. Together with HF and/or CH as a surrogate for H2, and H I λ21 cm data, the molecular hydrogen fraction fNH2 = N(H2)/(N(H) + 2N(H2)) can be determined. We then investigated abundance ratios as a function of fNH2. Results: The column density of O I is correlated at a high significance with the amount of available molecular and atomic hydrogen, with an atomic oxygen abundance of 3 × 10-4 relative to H nuclei. While the velocities of the absorption features of OH and OH+ are loosely correlated and reflect the spiral arm crossings on the sightline, upon closer inspection they display an anticorrespondence. The arm-to-interarm density contrast is found to be higher in OH than in OH+. While both species can coexist, with a higher abundance in OH than in OH+, the latter is found less frequently in absence of OH than the other way around, which is a direct consequence of the rapid destruction of OH+ by dissociative recombination when not enough H2 is available. This conjecture has been substantiated by a comparison between the OH/OH+ ratio with fNH2, showing a clear correlation. The hydrogen abstraction reaction chain OH+(H2,H)H2O+(H2,H)H3O+ is confirmed as the pathway for the production of OH and H2O. Our estimate of the branching ratio of the dissociative recombination of H3O+ to OH and H2O is confined within the interval of 84 to 91%, which matches laboratory measurements (74 to 83%). - A correlation between the linewidths and column densities of OH+ features is found to be significant with a false-alarm probability below 5%. Such a correlation is predicted by models of interstellar MHD turbulence. For OH the same correlation is found to be insignificant because there are more narrow absorption features. Conclusions: While it is difficult to assess the contributions of warm neutral-neutral chemistry to the observed abundances, it seems fair to conclude that the predictions of cold ion-neutral chemistry match the abundance patterns we observed.

VISIONS: Remote Observations of a Spatially-Structured Filamentary Source of Energetic Neutral Atoms near the Polar Cap Boundary During an Auroral Substorm

NASA Technical Reports Server (NTRS)

Collier, Michael R.; Chornay, D.; Clemmons, J.; Keller, J. W.; Klenzing, J.; Kujawski, J.; McLain, J.; Pfaff, R.; Rowland, D.; Zettergren, M.

2015-01-01

We report initial results from the VISualizing Ion Outflow via Neutral atom imaging during a Substorm (VISIONS) rocket that flew through and near several regions of enhanced auroral activity and also sensed regions of ion outflow both remotely and directly. The observed neutral atom fluxes were largest at the lower energies and generally higher in the auroral zone than in the polar cap. In this paper, we focus on data from the latter half of the VISIONS trajectory when the rocket traversed the polar cap region. During this period, many of the energetic neutral atom spectra show a peak at 100 electronvolts. Spectra with peaks around 100 electronvolts are also observed in the Electrostatic Ion Analyzer (EIA) data consistent with these ions comprising the source population for the energetic neutral atoms. The EIA observations of this low energy population extend only over a few tens of kilometers. Furthermore, the directionality of the arriving energetic neutral atoms is consistent with either this spatially localized source of energetic ions extending from as low as about 300 kilometers up to above 600 kilometers or a larger source of energetic ions to the southwest.

Plasma/Neutral-Beam Etching Apparatus

NASA Technical Reports Server (NTRS)

Langer, William; Cohen, Samuel; Cuthbertson, John; Manos, Dennis; Motley, Robert

1989-01-01

Energies of neutral particles controllable. Apparatus developed to produce intense beams of reactant atoms for simulating low-Earth-orbit oxygen erosion, for studying beam-gas collisions, and for etching semiconductor substrates. Neutral beam formed by neutralization and reflection of accelerated plasma on metal plate. Plasma ejected from coaxial plasma gun toward neutralizing plate, where turned into beam of atoms or molecules and aimed at substrate to be etched.

Acceleration of metal-atom diffusion in electric field at metal/insulator interfaces: First-principles study

NASA Astrophysics Data System (ADS)

Nagasawa, Riki; Asayama, Yoshihiro; Nakayama, Takashi

2018-04-01

Metal-atom diffusion from metal electrodes into SiO2 in electric fields was studied using first-principles calculations. It was shown in the case without electric field that the diffusion barrier of a metal atom is mainly made of the cohesive energy of bulk metal layers, while the shape of the diffusion potential reflects the hybridization of the metal-atom state with metal-induced gap states (MIGSs) and the electron transfer between the metal atom and the electrode. We found that the metal-atom diffusion is markedly accelerated by the applied electric field, such that the diffusion barrier ϕB(E) decreases almost linearly with increasing electric field strength E. By analyzing the physical origins of the metal-atom diffusion, we derived the universal formula to estimate the diffusion barrier in the electric field, which is closely related to MIGSs.

Evaluation of Thermal Control Coatings and Polymeric Materials Exposed to Ground Simulated Atomic Oxygen and Vacuum Ultraviolet Radiation

NASA Technical Reports Server (NTRS)

Kamenetzky, R. R.; Vaughn, J. A.; Finckenor, M. M.; Linton, R. C.

1995-01-01

Numerous thermal control and polymeric samples with potential International Space Station applications were evaluated for atomic oxygen and vacuum ultraviolet radiation effects in the Princeton Plasma Physics Laboratory 5 eV Neutral Atomic Oxygen Facility and in the MSFC Atomic Oxygen Drift Tube System. Included in this study were samples of various anodized aluminum samples, ceramic paints, polymeric materials, and beta cloth, a Teflon-impregnated fiberglass cloth. Aluminum anodizations tested were black duranodic, chromic acid anodize, and sulfuric acid anodize. Paint samples consisted of an inorganic glassy black paint and Z-93 white paint made with the original PS7 binder and the new K2130 binder. Polymeric samples evaluated included bulk Halar, bulk PEEK, and silverized FEP Teflon. Aluminized and nonaluminized Chemfab 250 beta cloth were also exposed. Samples were evaluated for changes in mass, thickness, solar absorptance, and infrared emittance. In addition to material effects, an investigation was made comparing diffuse reflectance/solar absorptance measurements made using a Beckman DK2 spectroreflectometer and like measurements made using an AZ Technology-developed laboratory portable spectroreflectometer.

A new technique for in situ measurement of the composition of neutral gas in interplanetary space

NASA Technical Reports Server (NTRS)

Gruntman, Michael A.

1993-01-01

Neutral atoms in interplanetary space play an important role in many processes relevant to the formation and evolution of the Solar System. An experimental approach is proposed for in situ atom detection based on the conversion of neutral atoms to negative ions at a specially prepared sensitive surface. Negative ions are subsequently analyzed and detected in an essentially noise-free mode. The use of the technique for in situ study of the composition of neutral interstellar atoms is considered. It is shown that interstellar H, D, and O atoms and possibly H2 molecules can be measured by the proposed technique. The experiment can be performed from a high-apogee Earth-orbiting satellite or from a deep space probe. Possible applications of the technique are discussed.

Photo ion spectrometer

DOEpatents

Gruen, Dieter M.; Young, Charles E.; Pellin, Michael J.

1989-01-01

A charged particle spectrometer for performing ultrasensitive quantitative analysis of selected atomic components removed from a sample. Significant improvements in performing energy and angular refocusing spectroscopy are accomplished by means of a two dimensional structure for generating predetermined electromagnetic field boundary conditions. Both resonance and non-resonance ionization of selected neutral atomic components allow accumulation of increased chemical information. A multiplexed operation between a SIMS mode and a neutral atomic component ionization mode with EARTOF analysis enables comparison of chemical information from secondary ions and neutral atomic components removed from the sample. An electronic system is described for switching high level signals, such as SIMS signals, directly to a transient recorder and through a charge amplifier to the transient recorder for a low level signal pulse counting mode, such as for a neutral atomic component ionization mode.

Isolated effects of external bath osmolality, solute concentration, and electrical charge on solute transport across articular cartilage.

PubMed

Pouran, Behdad; Arbabi, Vahid; Zadpoor, Amir A; Weinans, Harrie

2016-12-01

The metabolic function of cartilage primarily depends on transport of solutes through diffusion mechanism. In the current study, we use contrast enhanced micro-computed tomography to determine equilibrium concentration of solutes through different cartilage zones and solute flux in the cartilage, using osteochondral plugs from equine femoral condyles. Diffusion experiments were performed with two solutes of different charge and approximately equal molecular weight, namely iodixanol (neutral) and ioxaglate (charge=-1) in order to isolate the effects of solute's charge on diffusion. Furthermore, solute concentrations as well as bath osmolality were changed to isolate the effects of steric hindrance on diffusion. Bath concentration and bath osmolality only had minor effects on the diffusion of the neutral solute through cartilage at the surface, middle and deep zones, indicating that the diffusion of the neutral solute was mainly Fickian. The negatively charged solute diffused considerably slower through cartilage than the neutral solute, indicating a large non-Fickian contribution in the diffusion of charged molecules. The numerical models determined maximum solute flux in the superficial zone up to a factor of 2.5 lower for the negatively charged solutes (charge=-1) as compared to the neutral solutes confirming the importance of charge-matrix interaction in diffusion of molecules across cartilage. Copyright © 2016 IPEM. Published by Elsevier Ltd. All rights reserved.

Perspective: C60+ and laboratory spectroscopy related to diffuse interstellar bands

NASA Astrophysics Data System (ADS)

Campbell, E. K.; Maier, J. P.

2017-04-01

In the last 30 years, our research has focused on laboratory measurements of the electronic spectra of organic radicals and ions. Many of the species investigated were selected based on their potential astrophysical relevance, particularly in connection with the identification of appealing candidate molecules for the diffuse interstellar absorptions. Notably, carbon chains and derivatives containing hydrogen and nitrogen atoms in their neutral and ionic forms were studied. These data could be obtained after developing appropriate techniques to record spectra at low temperatures relevant to the interstellar medium. The measurement of gas phase laboratory spectra has enabled direct comparisons with astronomical data to be made and though many species were found to have electronic transitions in the visible where the majority of diffuse bands are observed, none of the absorptions matched the prominent interstellar features. In 2015, however, the first carrier molecule was identified: C60 + . This was achieved after the measurement of the electronic spectrum of C60 + -He at 6K in a radiofrequency ion trap.

Optimization of a constrained linear monochromator design for neutral atom beams.

PubMed

Kaltenbacher, Thomas

2016-04-01

A focused ground state, neutral atom beam, exploiting its de Broglie wavelength by means of atom optics, is used for neutral atom microscopy imaging. Employing Fresnel zone plates as a lens for these beams is a well established microscopy technique. To date, even for favorable beam source conditions a minimal focus spot size of slightly below 1μm was reached. This limitation is essentially given by the intrinsic spectral purity of the beam in combination with the chromatic aberration of the diffraction based zone plate. Therefore, it is important to enhance the monochromaticity of the beam, enabling a higher spatial resolution, preferably below 100nm. We propose to increase the monochromaticity of a neutral atom beam by means of a so-called linear monochromator set-up - a Fresnel zone plate in combination with a pinhole aperture - in order to gain more than one order of magnitude in spatial resolution. This configuration is known in X-ray microscopy and has proven to be useful, but has not been applied to neutral atom beams. The main result of this work is optimal design parameters based on models for this linear monochromator set-up followed by a second zone plate for focusing. The optimization was performed for minimizing the focal spot size and maximizing the centre line intensity at the detector position for an atom beam simultaneously. The results presented in this work are for, but not limited to, a neutral helium atom beam. Copyright © 2016 Elsevier B.V. All rights reserved.

Expansion Rate Scaling and Energy Evolution in the Electron Diffusion Gauge Experiment.

NASA Astrophysics Data System (ADS)

Morrison, Kyle; Davidson, Ronald; Paul, Stephen; Jenkins, Thomas

2001-10-01

The expansion of the Electron Diffusion Gauge (EDG) pure electron plasma resulting from collisions with background neutral gas atoms is characterized by the pressure and magnetic field scalings of the profile expansion rate (d/dt) < r^2 >. The measured expansion rate in the higher pressure regime is found to be in good agreement with the classical estimate [ fracddt< r^2 > = frac2 NL e^2 ν_enm ω_c^2 (1+frac2TNL e^2). ] Expansion rate data is obtained for smaller initial plasmas (with outer diameter 1/4 of the trap wall diameter) generated with an improved filament installed in the EDG device, and the data is compared with previous results for larger-filament plasmas. The dynamic energy evolution of the plasma, including electrostatic energy and inferred temperature evolution for several of the measurements, is discussed.

Measurements of the Activation Energies for Atomic Hydrogen Diffusion on Pure Solid CO

NASA Astrophysics Data System (ADS)

Kimura, Y.; Tsuge, M.; Pirronello, V.; Kouchi, A.; Watanabe, N.

2018-05-01

The diffusion of hydrogen atoms on dust grains is a key process in the formation of interstellar H2 and some hydrogenated molecules such as formaldehyde and methanol. We investigate the adsorption and diffusion of H atoms on pure solid CO as an analog of dust surfaces observed toward some cold interstellar regions. Using a combination of photostimulated desorption and resonance-enhanced multiphoton ionization methods to detect H atoms directly, the relative adsorption probabilities and diffusion coefficients of the H atoms are measured on pure solid CO at 8, 12, and 15 K. There is little difference between the diffusion coefficients of the hydrogen and deuterium atoms, indicating that the diffusion is limited by thermal hopping. The activation energies controlling the H-atom diffusion depend on the surface temperature, and values of 22, 30, and ∼37 meV were obtained for 8, 12, and 15 K, respectively.

Heliospheric Neutral Atom Spectra Between 0.01 and 6 keV fom IBEX

NASA Technical Reports Server (NTRS)

Fuselier, S. A.; Allegrini, F.; Bzowski, M.; Funsten, H. O.; Ghielmetti, A. G.; Gloeckler, G.; Heirtzler, D.; Janzen, P.; Kubiak, M.; Kucharek, H.;

Artificial electromagnetism for neutral atoms: Escher staircase and Laughlin liquids

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mueller, Erich J.

2004-10-01

We present a method for creating fields that couple to neutral atoms in the same way that electromagnetic fields couple to charged particles. We show that this technique opens the door for a range of neutral atom experiments, including probing the interplay between periodic potentials and quantum Hall effects. Furthermore, we propose, and analyze, seemingly paradoxical geometries which can be engineered through these techniques. For example, we show how to create a ring of sites where an atom continuously reduces its potential energy by moving in a clockwise direction.

Theoretical study of the BeLi, BeNa, MgLi, MgNa, and AlBe molecules and their negative ions

NASA Technical Reports Server (NTRS)

Bauschlicher, Charles W., Jr.; Langhoff, Stephen R.; Partridge, Harry

1992-01-01

The alkaline earth-alkali diatomics are found to have weak bonds, because the diffuse alkali valence s orbitals cannot form a bond of sufficient strength to pay the promotion energy of the alkaline-earth atoms. This leads to van der Waals bonding in the neutrals as well as the negative ions. In fact, the negative ions have larger binding energies than the neutrals as a result of the much larger polarizability of the negative ion. The binding energy of AlBe is significantly larger than the Be-alkali molecules, due to a covalent contribution to the bonding. The binding energy in AlBe(-) is considerably larger than AlBe; the binding energy of the X 3Sigma(-) state of AlBe(-) is computed to be 1.36 eV, as compared with 0.57 eV for the X 2Pi state of AlBe.

Photo ion spectrometer

DOEpatents

Gruen, D.M.; Young, C.E.; Pellin, M.J.

1989-12-26

A charged particle spectrometer is described for performing ultrasensitive quantitative analysis of selected atomic components removed from a sample. Significant improvements in performing energy and angular refocusing spectroscopy are accomplished by means of a two dimensional structure for generating predetermined electromagnetic field boundary conditions. Both resonance and non-resonance ionization of selected neutral atomic components allow accumulation of increased chemical information. A multiplexed operation between a SIMS mode and a neutral atomic component ionization mode with EARTOF analysis enables comparison of chemical information from secondary ions and neutral atomic components removed from the sample. An electronic system is described for switching high level signals, such as SIMS signals, directly to a transient recorder and through a charge amplifier to the transient recorder for a low level signal pulse counting mode, such as for a neutral atomic component ionization mode. 12 figs.

Thermodynamic evaluation of mass diffusion in ionic mixtures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kagan, Grigory; Tang, Xian-Zhu

2014-02-15

The thermodynamic technique of Landau and Lifshitz originally developed for inter-species diffusion in a binary neutral gas mixture is extended to a quasi-neutral plasma with two ion species. It is shown that, while baro- and electro-diffusion coefficients depend on the choice of the thermodynamic system, prediction for the total diffusive mass flux is invariant.

An atomic and molecular fluid model for efficient edge-plasma transport simulations at high densities

NASA Astrophysics Data System (ADS)

Rognlien, Thomas; Rensink, Marvin

2016-10-01

Transport simulations for the edge plasma of tokamaks and other magnetic fusion devices requires the coupling of plasma and recycling or injected neutral gas. There are various neutral models used for this purpose, e.g., atomic fluid model, a Monte Carlo particle models, transition/escape probability methods, and semi-analytic models. While the Monte Carlo method is generally viewed as the most accurate, it is time consuming, which becomes even more demanding for device simulations of high densities and size typical of fusion power plants because the neutral collisional mean-free path becomes very small. Here we examine the behavior of an extended fluid neutral model for hydrogen that includes both atoms and molecules, which easily includes nonlinear neutral-neutral collision effects. In addition to the strong charge-exchange between hydrogen atoms and ions, elastic scattering is included among all species. Comparisons are made with the DEGAS 2 Monte Carlo code. Work performed for U.S. DoE by LLNL under Contract DE-AC52-07NA27344.

Modeling of Elastic Collisions between High Energy and Slow Neutral Atoms

DTIC Science & Technology

2015-07-01

cylindrical test cell, and the currents on the four different electrodes-Inner Cylinder , Exit Plate, Back Aperture, and Collector Plat~were measured...Inner Cylinder electrode. Nevertheless, the neutral atom current to the Inner Cylinder electrode predicted by the VHS model is comparable to the...Figure 9. Normalized curre nt at the Inner Cylinder e lectrode. the point of collision. T he discrepancy in the Exit Plate neutral atom current is due to

VUV absorption spectroscopy measurements of the role of fast neutral atoms in a high-power gap breakdown

NASA Astrophysics Data System (ADS)

Filuk, A. B.; Bailey, J. E.; Cuneo, M. E.; Lake, P. W.; Nash, T. J.; Noack, D. D.; Maron, Y.

2000-12-01

The maximum power achieved in a wide variety of high-power devices, including electron and ion diodes, z pinches, and microwave generators, is presently limited by anode-cathode gap breakdown. A frequently discussed hypothesis for this effect is ionization of fast neutral atoms injected throughout the anode-cathode gap during the power pulse. We describe a newly developed diagnostic tool that provides a direct test of this hypothesis. Time-resolved vacuum-ultraviolet absorption spectroscopy is used to directly probe fast neutral atoms with 1-mm spatial resolution in the 10-mm anode-cathode gap of the SABRE 5 MV, 1 TW applied-B ion diode. Absorption spectra collected during Ar RF glow discharges and with CO2 gas fills confirm the reliability of the diagnostic technique. Throughout the 50-100 ns ion diode pulses no measurable neutral absorption was seen, setting upper limits of (0.12-1.5)×1014 cm-3 for ground-state fast neutral atom densities of H, C, N, O, and F. The absence of molecular absorption bands also sets upper limits of (0.16-1.2)×1015 cm-3 for common simple molecules. These limits are low enough to rule out ionization of fast neutral atoms as a breakdown mechanism. Breakdown due to ionization of molecules is also found to be unlikely. This technique can now be applied to quantify the role of neutral atoms in other high-power devices.

Nitrogen diffusion in hafnia and the impact of nitridation on oxygen and hydrogen diffusion: A first-principles study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sathiyanarayanan, Rajesh, E-mail: rajessat@in.ibm.com, E-mail: rajesh.sathiyanarayanan@gmail.com; Pandey, R. K.; Murali, K. V. R. M.

2015-01-21

Using first-principles simulations, we have computed incorporation energies and diffusion barriers of ammonia, the nitrogen molecule and atomic nitrogen in monoclinic hafnia (m-HfO{sub 2}). Our calculations show that ammonia is likely to dissociate into an NH{sub 2} molecular unit, whereas the nitrogen molecule remains as a molecule either in the interstitial space or at an oxygen lattice site. The lowest energy pathway for the diffusion of atomic nitrogen interstitials consists of the hopping of the nitrogen interstitial between neighboring three-coordinated lattice oxygen atoms that share a single Hf atom, and the barrier for such hops is determined by a switchingmore » mechanism. The substitutional nitrogen atom shows a preference for diffusion through the doubly positive oxygen vacancy-mediated mechanism. Furthermore, we have investigated the impact of nitrogen atoms on the diffusion barriers of oxygen and hydrogen interstitials in m-HfO{sub 2}. Our results show that nitrogen incorporation has a significant impact on the barriers for oxygen and hydrogen diffusion: nitrogen atoms attract oxygen and hydrogen interstitials diffusing in the vicinity, thereby slowing down (reducing) their diffusion (diffusion length)« less

Neutral atoms facility for space sensors characterization and BepiColombo/ELENA development instrument's progresses.

NASA Astrophysics Data System (ADS)

de Angelis, E.; di Lellis, A. M.; Orsini, S.; Zanza, V.; Maggi, M.; Vertolli, N.; D'Amicis, R.; Tilia, B.; Sibio, A.

2003-04-01

An Energetic Neutral Atoms facility to test and calibrate Neutral Atoms Analyzers has been developed in the Scientific Technical Unit of Fusion at the ENEA Research Center in Frascati (Rome-Italy). In the last years a collaboration with IFSI (Interplanetary Space and Physics Institute, CNR-Rome-Italy) has allowed to use this facility for space sensors and for characterization of crucial instruments elements. The ENA beam is realized with an ion source and a neutralization cell, and allows to test any instrument in the energy range 300eV-110keV with the available masses of Hydrogen, Deuterium or Helium. At the moment, the critical elements of ELENA (Emitted Low Energy Neutral Atoms) instrument proposed for BepiColombo ESA cornerstone mission to Mercury is under development testing. The facility, its potentiality and the instrument characterization progresses are presented.

Adiabatic Quantum Computing with Neutral Atoms

NASA Astrophysics Data System (ADS)

Hankin, Aaron; Biedermann, Grant; Burns, George; Jau, Yuan-Yu; Johnson, Cort; Kemme, Shanalyn; Landahl, Andrew; Mangan, Michael; Parazzoli, L. Paul; Schwindt, Peter; Armstrong, Darrell

2012-06-01

We are developing, both theoretically and experimentally, a neutral atom qubit approach to adiabatic quantum computation. Using our microfabricated diffractive optical elements, we plan to implement an array of optical traps for cesium atoms and use Rydberg-dressed ground states to provide a controlled atom-atom interaction. We will develop this experimental capability to generate a two-qubit adiabatic evolution aimed specifically toward demonstrating the two-qubit quadratic unconstrained binary optimization (QUBO) routine.

Charge-free method of forming nanostructures on a substrate

DOEpatents

Hoffbauer; Mark , Akhadov; Elshan

2010-07-20

A charge-free method of forming a nanostructure at low temperatures on a substrate. A substrate that is reactive with one of atomic oxygen and nitrogen is provided. A flux of neutral atoms of least one of oxygen and nitrogen is generated within a laser-sustained-discharge plasma source and a collimated beam of energetic neutral atoms and molecules is directed from the plasma source onto a surface of the substrate to form the nanostructure. The energetic neutral atoms and molecules in the beam have an average kinetic energy in a range from about 1 eV to about 5 eV.

Communication: Surface-to-bulk diffusion of isolated versus interacting C atoms in Ni(111) and Cu(111) substrates: A first principle investigation.

PubMed

Harpale, Abhilash; Panesi, Marco; Chew, Huck Beng

2015-02-14

Using first principle calculations, we study the surface-to-bulk diffusion of C atoms in Ni(111) and Cu(111) substrates, and compare the barrier energies associated with the diffusion of an isolated C atom versus multiple interacting C atoms. We find that the preferential Ni-C bonding over C-C bonding induces a repulsive interaction between C atoms located at diagonal octahedral voids in Ni substrates. This C-C interaction accelerates C atom diffusion in Ni with a reduced barrier energy of ∼1 eV, compared to ∼1.4-1.6 eV for the diffusion of isolated C atoms. The diffusion barrier energy of isolated C atoms in Cu is lower than in Ni. However, bulk diffusion of interacting C atoms in Cu is not possible due to the preferential C-C bonding over C-Cu bonding, which results in C-C dimer pair formation near the surface. The dramatically different C-C interaction effects within the different substrates explain the contrasting growth mechanisms of graphene on Ni(111) and Cu(111) during chemical vapor deposition.

Monte Carlo simulation of neutral-beam injection for mirror fusion reactors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Miller, Ronald Lee

1979-01-01

Computer simulation techniques using the Monte Carlo method have been developed for application to the modeling of neutral-beam intection into mirror-confined plasmas of interest to controlled thermonuclear research. The energetic (10 to 300 keV) neutral-beam particles interact with the target plasma (T i ~ 10 to 100 keV) through electron-atom and ion-atom collisional ionization as well as ion-atom charge-transfer (charge-exchange) collisions to give a fractional trapping of the neutral beam and a loss of charge-transfer-produced neutrals which escape to bombard the reactor first wall. Appropriate interaction cross sections for these processes are calculated for the assumed anisotropic, non-Maxwellian plasma ionmore » phase-space distributions.« less

Transport coefficients of gaseous ions in an electric field

NASA Technical Reports Server (NTRS)

Whealton, J. H.; Mason, E. A.

1974-01-01

A general theory of ion mobility formulated by Kihara (1953) is extended to ion diffusion and to mixtures of neutral gases. The theory assumes that only binary collisions between ions and neutral particles need to be taken into account and that the velocity distribution function of the neutral particles is Maxwellian. These assumptions make it possible to use a linearized Boltzmann equation. Questions of mobility are considered along with aspects of diffusion and deviations from Fick's law of diffusion.

An atomic model for neutral and singly ionized uranium

NASA Technical Reports Server (NTRS)

Maceda, E. L.; Miley, G. H.

1979-01-01

A model for the atomic levels above ground state in neutral, U(0), and singly ionized, U(+), uranium is described based on identified atomic transitions. Some 168 states in U(0) and 95 in U(+) are found. A total of 1581 atomic transitions are used to complete this process. Also discussed are the atomic inverse lifetimes and line widths for the radiative transitions as well as the electron collisional cross sections.

Dissociative recombination in planetary ionospheres

NASA Technical Reports Server (NTRS)

Fox, J. L.

1993-01-01

Ionization in planetary atmospheres can be produced by solar photoionization, photoelectron impact ionization, and, in auroral regions, by impact of precipitating particles. This ionization is lost mainly in dissociative recombination (DR) of molecular ions. Although atomic ions cannot undergo DR, they can be transformed locally through ion-molecule reactions into molecular ions, or they may be transported vertically or horizontally to regions of the atmosphere where such transformations are possible. Because DR reactions tend to be very exothermic, they can be an important source of kinetically or internally excited fragments. In interplanetary thermospheres, the neutral densities decrease exponentially with altitude. Below the homopause (or turbopause), the atmosphere is assumed to be throughly mixed by convection and/or turbulence. Above the homopause, diffusion is the major transport mechanism, and each species is distributed according to its mass, with the logarithmic derivative of the density with repect to altitude given approximately by -1/H, where H = kT/mg is the scale height. In this expression, T is the neutral temperature, g is the local acceleratiion of gravity, and m is the mass of the species. Thus lighter species become relatively more abundant, and heavier species less abundant, as the altitude increases. This variation of the neutral composition can lead to changes in the ion composition; furthermore, as the neutral densities decrease, dissociative recombination becomes more important relative to ion-neutral reactions as a loss mechanism for molecular ions.

Molecular dynamics and Monte Carlo simulations resolve apparent diffusion rate differences for proteins confined in nanochannels

DOE PAGES

Tringe, J. W.; Ileri, N.; Levie, H. W.; ...

2015-08-01

We use Molecular Dynamics and Monte Carlo simulations to examine molecular transport phenomena in nanochannels, explaining four orders of magnitude difference in wheat germ agglutinin (WGA) protein diffusion rates observed by fluorescence correlation spectroscopy (FCS) and by direct imaging of fluorescently-labeled proteins. We first use the ESPResSo Molecular Dynamics code to estimate the surface transport distance for neutral and charged proteins. We then employ a Monte Carlo model to calculate the paths of protein molecules on surfaces and in the bulk liquid transport medium. Our results show that the transport characteristics depend strongly on the degree of molecular surface coverage.more » Atomic force microscope characterization of surfaces exposed to WGA proteins for 1000 s show large protein aggregates consistent with the predicted coverage. These calculations and experiments provide useful insight into the details of molecular motion in confined geometries.« less

VUV absorption spectroscopy measurements of the role of fast neutral atoms in a high-power gap breakdown

DOE Office of Scientific and Technical Information (OSTI.GOV)

Filuk, A. B.; Bailey, J. E.; Cuneo, M. E.

The maximum power achieved in a wide variety of high-power devices, including electron and ion diodes, z pinches, and microwave generators, is presently limited by anode-cathode gap breakdown. A frequently discussed hypothesis for this effect is ionization of fast neutral atoms injected throughout the anode-cathode gap during the power pulse. We describe a newly developed diagnostic tool that provides a direct test of this hypothesis. Time-resolved vacuum-ultraviolet absorption spectroscopy is used to directly probe fast neutral atoms with 1-mm spatial resolution in the 10-mm anode-cathode gap of the SABRE 5 MV, 1 TW applied-B ion diode. Absorption spectra collected duringmore » Ar RF glow discharges and with CO{sub 2} gas fills confirm the reliability of the diagnostic technique. Throughout the 50--100 ns ion diode pulses no measurable neutral absorption was seen, setting upper limits of (0.12--1.5)x10{sup 14}cm{sup -3} for ground-state fast neutral atom densities of H, C, N, O, and F. The absence of molecular absorption bands also sets upper limits of (0.16--1.2)x10{sup 15}cm{sup -3} for common simple molecules. These limits are low enough to rule out ionization of fast neutral atoms as a breakdown mechanism. Breakdown due to ionization of molecules is also found to be unlikely. This technique can now be applied to quantify the role of neutral atoms in other high-power devices.« less

Global Anisotropies in TeV Cosmic Rays Related to the Sun's Local Galactic Environment from IBEX

NASA Technical Reports Server (NTRS)

Schwadron, N. A.; Adams, F. C.; Christian, E. R.; Desiati, P.; Frisch, P.; Funsten, H. O.; Jokipii, J. R.; McComas, D. J.; Moebius, E.; Zank, G. P.

2014-01-01

Observations with the Interstellar Boundary Explorer (IBEX) have shown enhanced energetic neutral atom (ENA) emission from a narrow, circular ribbon likely centered on the direction of the local interstellar medium (LISM) magnetic field. Here, we show that recent determinations of the local interstellar velocity, based on interstellar atom measurements with IBEX, are consistent with the interstellar modulation of high-energy (tera-electron volts, TeV) cosmic rays and diffusive propagation from supernova sources revealed in global anisotropy maps of ground-based high-energy cosmic-ray observatories (Milagro, Asg, and IceCube). Establishing a consistent local interstellar magnetic field direction using IBEX ENAs at hundreds to thousands of eV and galactic cosmic rays at tens of TeV has wide-ranging implications for the structure of our heliosphere and its interactions with the LISM, which is particularly important at the time when the Voyager spacecraft are leaving our heliosphere.

Transport coefficients in nonequilibrium gas-mixture flows with electronic excitation.

PubMed

Kustova, E V; Puzyreva, L A

2009-10-01

In the present paper, a one-temperature model of transport properties in chemically nonequilibrium neutral gas-mixture flows with electronic excitation is developed. The closed set of governing equations for the macroscopic parameters taking into account electronic degrees of freedom of both molecules and atoms is derived using the generalized Chapman-Enskog method. The transport algorithms for the calculation of the thermal-conductivity, diffusion, and viscosity coefficients are proposed. The developed theoretical model is applied for the calculation of the transport coefficients in the electronically excited N/N(2) mixture. The specific heats and transport coefficients are calculated in the temperature range 50-50,000 K. Two sets of data for the collision integrals are applied for the calculations. An important contribution of the excited electronic states to the heat transfer is shown. The Prandtl number of atomic species is found to be substantially nonconstant.

Global anisotropies in TeV cosmic rays related to the Sun's local galactic environment from IBEX.

PubMed

Schwadron, N A; Adams, F C; Christian, E R; Desiati, P; Frisch, P; Funsten, H O; Jokipii, J R; McComas, D J; Moebius, E; Zank, G P

2014-02-28

Observations with the Interstellar Boundary Explorer (IBEX) have shown enhanced energetic neutral atom (ENA) emission from a narrow, circular ribbon likely centered on the direction of the local interstellar medium (LISM) magnetic field. Here, we show that recent determinations of the local interstellar velocity, based on interstellar atom measurements with IBEX, are consistent with the interstellar modulation of high-energy (tera-electron volts, TeV) cosmic rays and diffusive propagation from supernova sources revealed in global anisotropy maps of ground-based high-energy cosmic-ray observatories (Milagro, Asγ, and IceCube). Establishing a consistent local interstellar magnetic field direction using IBEX ENAs at hundreds to thousands of eV and galactic cosmic rays at tens of TeV has wide-ranging implications for the structure of our heliosphere and its interactions with the LISM, which is particularly important at the time when the Voyager spacecraft are leaving our heliosphere.

Negative ion productions in high velocity collision between small carbon clusters and Helium atom target

NASA Astrophysics Data System (ADS)

M, Chabot; K, Béroff; T, Pino; G, Féraud; N, Dothi; Padellec A, Le; G, Martinet; S, Bouneau; Y, Carpentier

2012-11-01

We measured absolute double capture cross section of Cn+ ions (n=1,5) colliding, at 2.3 and 2.6 a.u velocities, with an Helium target atom and the branching ratios of fragmentation of the so formed electronically excited anions Cn-*. We also measured absolute cross section for the electronic attachment on neutral Cn clusters colliding at same velocities with He atom. This is to our knowledge the first measurement of neutral-neutral charge exchange in high velocity collision.

Nanosecond pulsed humid Ar plasma jet in air: shielding, discharge characteristics and atomic hydrogen production

NASA Astrophysics Data System (ADS)

Yatom, Shurik; Luo, Yuchen; Xiong, Qing; Bruggeman, Peter J.

2017-10-01

Gas phase non-equilibrium plasmas jets containing water vapor are of growing interest for many applications. In this manuscript, we report a detailed study of an atmospheric pressure nanosecond pulsed Ar  +  0.26% H2O plasma jet. The plasma jet operates in an atmospheric pressure air surrounding but is shielded with a coaxial argon flow to limit the air diffusion into the jet effluent core. The jet impinges on a metal plate electrode and produces a stable plasma filament (transient spark) between the needle electrode in the jet and the metal plate. The stable plasma filament is characterized by spatially and time resolved electrical and optical diagnostics. This includes Rayleigh scattering, Stark broadening of the hydrogen Balmer lines and two-photon absorption laser induced fluorescence (TaLIF) to obtain the gas temperature, the electron density and the atomic hydrogen density respectively. Electron densities and atomic hydrogen densities up to 5 × 1022 m-3 and 2 × 1022 m-3 have been measured. This shows that atomic hydrogen is one of the main species in high density Ar-H2O plasmas. The gas temperature does not exceed 550 K in the core of the plasma. To enable in situ calibration of the H TaLIF at atmospheric pressure a previously published O density calibration scheme is extended to include a correction for the line profiles by including overlap integrals as required by H TaLIF. The line width of H TaLIF, due to collision broadening has the same trend as the neutral density obtained by Rayleigh scattering. This suggests the possibility to use this technique to in situ probe neutral gas densities.

Remote Sensing of Icy Galilean Moon Surface and Atmospheric Composition Using Low Energy (1 eV-4 keV) Neutral Atom Imaging

NASA Technical Reports Server (NTRS)

Collier, M. R.; Sittler, E.; Chornay, D.; Cooper, J. F.; Coplan, M.; Johnson, R. E.

2004-01-01

We describe a low energy neutral atom imager suitable for composition measurements Europa and other icy Galilean moons in the Jovian magnetosphere. This instrument employs conversion surface technology and is sensitive to either neutrals converted to negative ions, neutrals converted to positive ions and the positive ions themselves depending on the power supply. On a mission such as the Jupiter Icy Moons Orbiter (JIMO), two back-to-back sensors would be flown with separate power supplies fitted to the neutral atom and iodneutral atom sides. This will allow both remote imaging of 1 eV < E < 4 keV neutrals from icy moon surfaces and atmospheres, and in situ measurements of ions at similar energies in the moon ionospheres and Jovian magnetospheric plasma. The instrument provides composition measurements of the neutrals and ions that enter the spectrometer with a mass resolution dependent on the time-of-flight subsystem and capable of resolving molecules. The lower energy neutrals, up to tens of eV, arise from atoms and molecules sputtered off the moon surfaces and out of the moon atmospheres by impacts of more energetic (keV to MeV) ions from the magnetosphere. Direct Simulation Monte Carlo (DSMC) models are used to convert measured neutral abundances to compositional distributions of primary and trace species in the sputtered surfaces and atmospheres. The escaping neutrals can also be detected as ions after photo- or plasma-ionization and pickup. Higher energy, keV neutrals come from charge exchange of magnetospheric ions in the moon atmospheres and provide information on atmospheric structure. At the jovicentric orbits of the icy moons the presence of toroidal gas clouds, as detected at Europa's orbit, provide M e r opportunities to analyze both the composition of neutrals and ions originating from the moon surfaces, and the characteristics of magnetospheric ions interacting with neutral cloud material. Charge exchange of low energy ions near the moons, and directional distributions of the resultant neutrals, allow indirect global mapping of magnetic field structures around the moons. Temporal variation of the magnetic structures can be linked to induced magnetic fields associated with subsurface oceans.

Where is the Most Likely Location Where the Secondary Interstellar Oxygen Atoms Are Created Around the Heliosheath?

NASA Astrophysics Data System (ADS)

Park, J.; Kucharek, H.; Szabo, A.; Paschalidis, N.; Grocer, A.; Jones, S.

2017-12-01

The secondary component of the interstellar neutral gas flow is originated from charge exchange between the undisturbed primary interstellar neutrals and the ions that have been deflected as they approach the heliopause. The secondary neutrals that are emitted from the interstellar ion flow through charge exchange carry information on the diverted flow and a fraction of them can travel to the Sun. Therefore, the secondary component of the interstellar neutrals is an excellent diagnostic tool to provide important information to constrain the shape of the heliopause. The presence of the secondary neutrals was predicted in the global heliospheric models and they are observed by Interstellar Boundary Explorer (IBEX) at Earth's orbit. Using the IBEX observations of neutral helium atoms, Kubiak et al. (2016, ApJS, 223, 25) approximated the parent distribution of the secondary interstellar He atoms (so-called Warm Breeze) with a homogeneous Maxwellian distribution function. Park et al. (2016, ApJ, 833, 130) analyzed IBEX observations of secondary interstellar helium and oxygen distributions at Earth's orbit. Lee et al. (2012, ApJS, 198, 10) constructed the heliospheric phase-space distribution function of an interstellar gas species in the Earth frame as a function of solar longitude. In this distribution, the authors assume that the distribution is a drifting Maxwellian at large distances from the Sun. In this study, we assume that a fraction of the secondary neutral atoms has a velocity vector toward the Sun and they can be described as a flow with a drifting Maxwellian distribution near the heliopause. Unlike the primary interstellar gas flow, the distribution of the secondary neutrals is expected to have a wide width and their bulk speeds are slower than the bulk speed of the primary interstellar gas flow. We compare Lee's distribution and IBEX observations of neutral oxygen atoms and then estimate the most likely direction where the secondary interstellar oxygen atoms are created near the heliopause.

METHOD AND APPARATUS FOR TRAPPING IONS IN A MAGNETIC FIELD

DOEpatents

Luce, J.S.

1962-04-17

A method and apparatus are described for trapping ions within an evacuated container and within a magnetic field utilizing dissociation and/or ionization of molecular ions to form atomic ions and energetic neutral particles. The atomic ions are magnetically trapped as a result of a change of charge-to- mass ratio. The molecular ions are injected into the container and into the path of an energetic carbon arc discharge which dissociates and/or ionizes a portion of the molecular ions into atomic ions and energetic neutrals. The resulting atomic ions are trapped by the magnetic field to form a circulating beam of atomic ions, and the energetic neutrals pass out of the system and may be utilized in a particle accelerator. (AEC)

Magnetic properties of the synthetically charged neutral bosons

NASA Astrophysics Data System (ADS)

Hassan, Ahmed S.; Abbas, Abbas H.; El-Sherbini, Tharwat M.; Seif, Walaa M.

2018-07-01

In this paper, we conclude that BEC of synthetically charged bosons is possible and leads to several new and interesting phenomena. Thermal and magnetic properties of the system are investigated. The temperature dependence of the magnetic parameters, including the magnetization, magnetic susceptibility and the heat capacity at constant synthetic magnetic field are calculated. These properties are investigated for finite atoms number and synthetic magnetic field strength. We show that those properties, in particular Bose- Einstein transition temperature, depends upon the strength of the synthetic magnetic field. A diffuse condensation of the synthetically charged bosons appears for changing the synthetic field. The obtained results provide important magnetic properties.

Charge-free low-temperature method of forming thin film-based nanoscale materials and structures on a substrate

DOEpatents

Hoffbauer, Mark [Los Alamos, NM; Mueller, Alex [Santa Fe, NM

2008-07-01

A method of forming a nanostructure at low temperatures. A substrate that is reactive with one of atomic oxygen and nitrogen is provided. A flux of neutral atoms of at least one of nitrogen and oxygen is generated within a laser-sustained-discharge plasma source and a collimated beam of energetic neutral atoms and molecules is directed from the plasma source onto a surface of the substrate to form the nanostructure. The energetic neutral atoms and molecules in the plasma have an average kinetic energy in a range from about 1 eV to about 5 eV.

Efficient Means of Detecting Neutral Atoms in Space

NASA Astrophysics Data System (ADS)

Zinicola, W. N.

2006-12-01

This summer, The Society of Physics Students granted me the opportunity to participate in an internship for The National Aeronautics and Space Administration (NASA) and The University of Maryland. Our chief interest was analyzing low energy neutral atoms that were created from random interactions of ions in space plasma. From detecting these neutrals one can project a image of what the plasma's composition is, and how this plasma changes through interactions with the solar wind. Presently, low energy neutral atom detectors have poor efficiency, typically in the range of 1%. Our goal was to increase this efficiency. To detect low energy neutrals we must first convert them from neutral molecules to negatively charged ions. Once converted, these "new" negatively charged ions can be easily detected and completely analyzed giving us information about their energy, mass, and instantaneous direction. The efficiency of the detector is drastically affected by the surface used for converting these neutrals. My job was first to create thin metal conversion surfaces. Then, using an X-ray photoelectron spectrometer, analyze atomic surface composition and gather work function values. Once the work function values were known we placed the surfaces in our neutral detector and measured their conversion efficiencies. Finally, a relation between the work function of the metal surface an its conversion efficiency was generated. With this relationship accurately measured one could use this information to help give suggestions on what surface would be the best to increase our detection efficiency. If we could increase the efficiency of these low energy neutral atom detectors by even 1% we would be able to decrease the size of the detector therefore making it cheaper and more applicable for space exploration.* * A special thanks to Dr. Michael Coplan of the University of Maryland for his support and guidance through all my research.

On the Lamb shift in neutral muonic helium

NASA Astrophysics Data System (ADS)

Amusia, Miron; Karshenboim, Savely; Ivanov, Vladimir

2015-05-01

The neutral muonic helium is an exotic atomic system consisting of an electron, muon and a nucleus. We consider it as a hydrogen-like atom with a compound nucleus that is also hydrogen-like system. There are a number of corrections to the Bohr energy levels, which all can be treated as contributions of generic hydrogen-like theory. While the form of those contributions is the same for all hydrogen-like atoms, their relative numerical importance differs from an atom to an atom. Here, the leading contribution to the electronic Lamb shift in the neutral muonic helium is found in a close analytic form together with the most important corrections. We believe that the Lamb shift in the neutral muonic hydrogen is measurable, at least through a measurement of the electronic 1 s - 2 s transition. We present a theoretical prediction for the 1 s - 2 s transitions with the uncertainty of 2 ppm (4 GHz), as well as for the 2 s - 2 p Lamb shift with the uncertainty of 0.6 GHz.

Blue Luminescence and Extended Red Emission: Possible Connections to the Diffuse Interstellar Bands

NASA Astrophysics Data System (ADS)

Witt, A. N.

2014-02-01

Blue luminescence (BL) and extended red emission (ERE) are observed as diffuse, optical-wavelength emissions in interstellar space, resulting from photoluminescence by ultraviolet(UV)-illuminated interstellar grains. Faintness and the challenge of separating the BL and ERE from the frequently much brighter dust-scattered continuum present major observational hurdles, which have permitted only slow progress in testing the numerous models that have been advanced to explain these two phenomena. Both the ERE, peaking near 680 nm (FWHM ~ 60 - 120 nm) and the BL, asymmetrically peaking at ~ 378 nm (FWHM ~ 45 nm), were first discovered in the Red Rectangle nebula. Subsequently, ERE and BL have been observed in other reflection nebulae, and in the case of the ERE, in carbon-rich planetary nebulae, H II regions, high-latitude cirrus clouds, the galactic diffuse ISM, and in external galaxies. BL exhibits a close spatial and intensity correlation with emission in the aromatic emission feature at 3.3 micron, most likely arising from small, neutral polycyclic aromatic hydrocarbon (PAH) molecules. The spectral characteristics of the BL also agree with those of fluorescence by PAH molecules with 13 to 19 carbon atoms. The BL phenomenon is thus most readily understood as the optical fluorescence of small, UV-excited aromatic molecules. The ERE, by contrast, though co-existent with mid-IR PAH emissions, does not correlate with emissions from either neutral or ionized PAHs. Instead, the spatial ERE morphology appears to be strictly governed by the density of far-UV (E >= 10.5 eV) photons, which are required for the ERE excitation. The most restrictive observational constraint for the ERE process is its exceptionally high quantum efficiency. If the ERE results from photo-excitation of a nano-particle carrier by photons with E >= 10.5 eV in a single-step process, the quantum efficiency exceeds 100%. Such a process, in which one to three low-energy optical photons may be emitted following a single far-UV excitation, is possible in highly isolated small clusters, e.g. small, dehydrogenated carbon clusters with about 20 to 28 carbon atoms. A possible connection between the ERE carriers and the carriers of DIBs may exist in that both are ubiquitous throughout the diffuse interstellar medium and both have an abundance of low-lying electronic levels with E <= 2.3 eV above the ground state.

Comparing the Atmospheric Losses at Io and Europa

NASA Astrophysics Data System (ADS)

Dols, V. J.; Bagenal, F.; Crary, F. J.; Cassidy, T.

2017-12-01

At Io and Europa, the interaction of the Jovian plasma with the moon atmosphere leads to a significant loss of atomic/molecular neutrals and ions to space. The processes that lead to atmospheric escape are diverse: atmospheric sputtering, molecular dissociation, molecular ion recombination, Jeans escape etc. Each process leads to neutrals escaping at different velocities (i.e. electron impact dissociation leads to very slow atomic neutrals, sputtering might eject faster molecular neutrals). Some neutrals will be ejected out of the Jovian system; others will form extended neutral clouds along the orbit of the moons. These atomic/molecular extended neutral clouds are probably the main source of plasma for the Jovian magnetosphere. They are difficult to observe directly thus their composition and density are still poorly constrained. A future modeling of the formation of these extended clouds requires an estimate of their atmospheric sources. We estimate the atmospheric losses at Io and Europa for each loss process with a multi-species chemistry model, using a prescribed atmospheric distribution consistent with the observations. We compare the neutral losses at Io and Europa.

Alpha particles diffusion due to charge changes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Clauser, C. F., E-mail: cesar.clauser@ib.edu.ar; Farengo, R.

2015-12-15

Alpha particles diffusion due to charge changes in a magnetized plasma is studied. Analytical calculations and numerical simulations are employed to show that this process can be very important in the pedestal-edge-SOL regions. This is the first study that presents clear evidence of the importance of atomic processes on the diffusion of alpha particles. A simple 1D model that includes inelastic collisions with plasma species, “cold” neutrals, and partially ionized species was employed. The code, which follows the exact particle orbits and includes the effect of inelastic collisions via a Monte Carlo type random process, runs on a graphic processormore » unit (GPU). The analytical and numerical results show excellent agreement when a uniform background (plasma and cold species) is assumed. The simulations also show that the gradients in the density of the plasma and cold species, which are large and opposite in the edge region, produce an inward flux of alpha particles. Calculations of the alpha particles flux reaching the walls or divertor plates should include these processes.« less

Synthetic NPA diagnostic for energetic particles in JET plasmas

NASA Astrophysics Data System (ADS)

Varje, J.; Sirén, P.; Weisen, H.; Kurki-Suonio, T.; Äkäslompolo, S.; contributors, JET

2017-11-01

Neutral particle analysis (NPA) is one of the few methods for diagnosing fast ions inside a plasma by measuring neutral atom fluxes emitted due to charge exchange reactions. The JET tokamak features an NPA diagnostic which measures neutral atom fluxes and energy spectra simultaneously for hydrogen, deuterium and tritium species. A synthetic NPA diagnostic has been developed and used to interpret these measurements to diagnose energetic particles in JET plasmas with neutral beam injection (NBI) heating. The synthetic NPA diagnostic performs a Monte Carlo calculation of the neutral atom fluxes in a realistic geometry. The 4D fast ion distributions, representing NBI ions, were simulated using the Monte Carlo orbit-following code ASCOT. Neutral atom density profiles were calculated using the FRANTIC neutral code in the JINTRAC modelling suite. Additionally, for rapid analysis, a scan of neutral profiles was precalculated with FRANTIC for a range of typical plasma parameters. These were taken from the JETPEAK database, which includes a comprehensive set of data from the flat-top phases of nearly all discharges in recent JET campaigns. The synthetic diagnostic was applied to various JET plasmas in the recent hydrogen campaign where different hydrogen/deuterium mixtures and NBI configurations were used. The simulated neutral fluxes from the fast ion distributions were found to agree with the measured fluxes, reproducing the slowing-down profiles for different beam isotopes and energies and quantitatively estimating the fraction of hydrogen and deuterium fast ions.

Anomalous diffusion of single metal atoms on a graphene oxide support

DOE PAGES

Furnival, Tom; Leary, Rowan K.; Tyo, Eric C.; ...

2017-04-21

Recent studies of single-atom catalysts open up the prospect of designing exceptionally active and environmentally efficient chemical processes. The stability and durability of such catalysts is governed by the strength with which the atoms are bound to their support and their diffusive behaviour. Here we use aberration-corrected STEM to image the diffusion of single copper adatoms on graphene oxide. As a result, we discover that individual atoms exhibit anomalous diffusion as a result of spatial and energetic disorder inherent in the support, and interpret the origins of this behaviour to develop a physical picture for the surface diffusion of singlemore » metal atoms.« less

Ambient-temperature diffusion and gettering of Pt atoms in GaN with surface defect region under 60Co gamma or MeV electron irradiation

NASA Astrophysics Data System (ADS)

Hou, Ruixiang; Li, Lei; Fang, Xin; Xie, Ziang; Li, Shuti; Song, Weidong; Huang, Rong; Zhang, Jicai; Huang, Zengli; Li, Qiangjie; Xu, Wanjing; Fu, Engang; Qin, G. G.

2018-01-01

Generally, the diffusion and gettering of impurities in GaN needs high temperature. Calculated with the ambient-temperature extrapolation value of the high temperature diffusivity of Pt atoms in GaN reported in literature, the time required for Pt atoms diffusing 1 nm in GaN at ambient temperature is about 19 years. Therefore, the ambient-temperature diffusion and gettering of Pt atoms in GaN can hardly be observed. In this work, the ambient-temperature diffusion and gettering of Pt atoms in GaN is reported for the first time. It is demonstrated by use of secondary ion mass spectroscopy that in the condition of introducing a defect region on the GaN film surface by plasma, and subsequently, irradiated by 60Co gamma-ray or 3 MeV electrons, the ambient-temperature diffusion and gettering of Pt atoms in GaN can be detected. It is more obvious with larger irradiation dose and higher plasma power. With a similar surface defect region, the ambient-temperature diffusion and gettering of Pt atoms in GaN stimulated by 3 MeV electron irradiation is more marked than that stimulated by gamma irradiation. The physical mechanism of ambient-temperature diffusion and gettering of Pt atoms in a GaN film with a surface defect region stimulated by gamma or MeV electron irradiation is discussed.

Transport of carbon ion test particles and hydrogen recycling in the plasma of the Columbia tokamak HBT'' (High Beta Tokamak)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Jian-Hua.

Carbon impurity ion transport is studied in the Columbia High Beta Tokamak (HBT), using a carbon tipped probe which is inserted into the plasma (n{sub e} {approx} 1 {minus} 5 {times} 10{sup 14} (cm{sup {minus}3}), T{sub e} {approx} 4 {minus} 10 (eV), B{sub t} {approx} 0.2 {minus} 0.4(T)). Carbon impurity light, mainly the strong lines of C{sub II}(4267A, emitted by the C{sup +} ions) and C{sub III} (4647A, emitted by the C{sup ++} ions), is formed by the ablation or sputtering of plasma ions and by the discharge of the carbon probe itself. The diffusion transport of the carbon ionsmore » is modeled by measuring the space-and-time dependent spectral light emission of the carbon ions with a collimated optical beam and photomultiplier. The point of emission can be observed in such a way as to sample regions along and transverse to the toroidal magnetic field. The carbon ion diffusion coefficients are obtained by fitting the data to a diffusion transport model. It is found that the diffusion of the carbon ions is classical'' and is controlled by the high collisionality of the HBT plasma; the diffusion is a two-dimensional problem and the expected dependence on the charge of the impurity ion is observed. The measurement of the spatial distribution of the H{sub {alpha}} emissivity was obtained by inverting the light signals from a 4-channel polychromator, the data were used to calculate the minor-radial influx, the density, and the recycling time of neutral hydrogen atoms or molecules. The calculation shows that the particle recycling time {tau}{sub p} is comparable with the plasma energy confinement time {tau}{sub E}; therefore, the recycling of the hot plasma ions with the cold neutrals from the walls is one of the main mechanisms for loss of plasma energy.« less

A new way to measure the composition of the interstellar gas surrounding the heliosphere

NASA Technical Reports Server (NTRS)

Gruntman, Michael A.

1993-01-01

The composition of neutral gas in the Local Interstellar Medium can be studied by direct, in situ measuring of interstellar neutral atoms penetrating into interplanetary space. A novel experimental approach for in situ atom detection, which has never been used earlier in space, is proposed. The technique is based on the conversion of neutral atoms to negative ions at a specially prepared sensitive surface. Negative ions are subsequently analyzed and detected in an essentially noise-free, multicoincidence mode. It is shown that interstellar hydrogen, deuterium, and oxygen atoms can be measured by the proposed technique. The experiment can be performed from a high-apogee Earth-orbiting satellite or from a deep space probe.

A new approach to entangling neutral atoms.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, Jongmin; Martin, Michael J.; Jau, Yuan-Yu

2016-11-01

Our team has developed a new approach to entangling neutral atoms with a Rydberg-dressed interaction. Entangling neutral atoms is an essential key of quantum technologies such as quantum computation, many-body quantum simulation, and high-precision atomic sensors . The demonstrated Rydberg-dressed protocol involves adiabatically imposing a light shift on the ground state by coupling an excited Rydberg state with a tuned laser field. Using this technique, we have demonstrated a strong and tunable dipole - dipole interaction between two individually trapped atoms with energy shifts of order 1 MHz, which has been challenging to achieve in other protocols . During thismore » program, we experimentally demonstrated Bell-state entanglement and the isomorphism to the Jaynes - Cumming model of a Rydberg-dressed two-atom system. Our theoretical calculations of a CPHASE quantum logic gate and arbitrary Dicke state quantum control in this system encourage further work.« less

Energetic Neutral Atom (ENA) Imaging of Mercury's Magnetosphere Onboard BepiColombo

NASA Astrophysics Data System (ADS)

Barabash, S.; Wieser, M.; Futaana, Y.; Holmström, M.; Asamura, K.; Saito, Y.; Wurz, P.

2018-05-01

We describe how energetic neutral atoms (ENA) are produced in Mercury’s magnetosphere, how they can be used to image the magnetosphere and surface, and how they are measured onboard the BepiColombo mission.

Imaging Magnetospheric Boundries at Ionospheric Heights

NASA Astrophysics Data System (ADS)

Baumgardner, J.; Nottingham, D.; Wroten, J.; Mendillo, M.

2001-12-01

Stable auroral red (SAR) arcs are excited by a downward heat flux within a narrow range of fluxtubes that define the plasmapause-ring current interaction region. Ambient F-region electrons near and above the peak height (300-500 km) are heated and collisionally excite atomic oxygen to the O(1D) state, thereby emitting 6300 A photons. At the same time, the diffuse aurora at 6300 A is excited by the precipitation of plasma sheet electrons into the lower thermosphere, exciting O(1D) to emit near 200 km. An all-sky imaging system operating at a sub-auroral site (e.g., at Millstone Hill) can readily record the SAR arc centroid location and the equatorial edge of the diffuse aurora in the same 6300 A image. We have analyzed 75 such cases showing where both stuctures occur in the ionosphere and then conducted field-line mapping to define the L-shell domains of origin in the equatorial plane of the inner magnetosphere (L ~ 2.5 - 4). To within the measurement and mapping accuracies, both boundaries coincide, i.e., the inner edge of the plasma sheet essentially falls along the plasmapause. Since the O(1D) 6300 A emission corresponds to ~2 ev of excitation by magnetospheric processes, this technique defines ELENA (Extremely Low Energetic Neutral Atom) imaging of magnetospheric structures.

Diffusion and the Thermal Stability of Amorphous Copper-Zirconium

NASA Astrophysics Data System (ADS)

Stelter, Eric Carl

Measurements have been made of diffusion and thermal relaxation in amorphous Cu(,50)Zr(,50). Samples were prepared by melt-spinning under vacuum. Diffusion measurements were made over the temperature range from 317 to 385 C, using Ag and Au as substitutional impurities, by means of Auger electron spectrometry (AES) and Rutherford backscattering spectrometry (RBS). Thermal measurements were made by differential scanning calorimetry (DSC) up to 550 C. The diffusion coefficients of Ag and Au in amorphous Cu(,50)Zr(,50) are found to be somewhat higher than, but very close in magnitude to the coefficient of self-diffusion in crystalline Cu at the same temperatures. The activation energies for diffusion in the amorphous alloy are 0.72 to 1.55 eV/atom, much closer to the activation energy for self-diffusion in liquid Cu, 0.42 eV/atom, than that for the crystalline solid, 2.19 eV/atom. The mechanism for diffusion in the amorphous metal is presumably quite different from the monovacancy mechanism dominant in the crystalline solid. The pre-exponential terms are found to be extremely small, on the order of 10('-10) to 10('-11) cm('2)/sec for Ag diffusion. This indicates that diffusion in amorphous Cu(,50)Zr(,50) may involve an extended defect of 10 or more atoms. Analysis of the data in terms of the free -volume model also lends strength to this conclusion and indicates that the glass is composed of liquid-like clusters of 15 to 20 atoms. The initial stage of relaxation in amorphous CuZr occurs with a spectrum of activation energies. The lowest activation energy involved, 0.78 eV/atom, is almost identical to the average activation energy of Ag diffusion in the glass, 0.77 eV/atom, indicating that relaxation occurs primarily through diffusion. The activation energy of crystallization, determined by Kissinger's method, is 3.10 eV/atom. The large difference, on the order of 2.3 eV/atom, between the activation energies of crystallization and diffusion is attributed to the energy required to nucleate the crystalline phase.

Optical beams with embedded vortices: building blocks for atom optics and quantum information

NASA Astrophysics Data System (ADS)

Chattrapiban, N.; Arakelyan, I.; Mitra, S.; Hill, W. T., III

2006-05-01

Laser beams with embedded vortices, Bessel or Laguerre-Gaussian modes, provide a unique opportunity for creating elements for atom optics, entangling photons and, potentially, mediating novel quantum interconnects between photons and matter. High-order Bessel modes, for example, contain intensity voids and propagate nearly diffraction-free for tens of meters. These vortices can be exploited to produce dark channels oriented longitudinally (hollow beams) or transversely to the laser propagation direction. Such channels are ideal for generating networks or circuits to guide and manipulate cold neutral atoms, an essential requirement for realizing future applications associated with atom interferometry, atom lithography and even some neutral atom-based quantum computing architectures. Recently, we divided a thermal cloud of neutral atoms moving within a blue-detuned beam into two clouds with two different momenta by crossing two hollow beams. In this presentation, we will describe these results and discuss the prospects for extending the process to coherent ensembles of matter.

Studies for the Loss of Atomic and Molecular Species from Io

NASA Technical Reports Server (NTRS)

Smyth, William H.

1998-01-01

Updated neutral emission rates for electron impact excitation of atomic oxygen and sulfur based upon the Collisional Radiative Equilibrium (COREQ) model have been incorporated in the neutral cloud models. An empirical model for the Io plasma torus wake has also been added in the neutral cloud model to describe important enhancements in the neutral emission rates and lifetime rates in this spatial region. New insights into Io's atmosphere and its interaction with the plasma torus are discussed. These insights are based upon an initial comparison of simultaneous lo observations on October 14, 1997, for [0I] 6300 Angstrom emissions acquired by groundbased facilities and several ultraviolet emissions acquired by HST/STIS in the form of high-spatial- resolution images for atomic oxygen and sulfur.

Construction of a single atom trap for quantum information protocols

NASA Astrophysics Data System (ADS)

Shea, Margaret E.; Baker, Paul M.; Gauthier, Daniel J.; Duke Physics Department Team

2016-05-01

The field of quantum information science addresses outstanding problems such as achieving fundamentally secure communication and solving computationally hard problems. Great progress has been made in the field, particularly using photons coupled to ions and super conducting qubits. Neutral atoms are also interesting for these applications and though the technology for control of neutrals lags behind that of trapped ions, they offer some key advantages: primarily coupling to optical frequencies closer to the telecom band than trapped ions or superconducting qubits. Here we report progress on constructing a single atom trap for 87 Rb. This system is a promising platform for studying the technical problems facing neutral atom quantum computing. For example, most protocols destroy the trap when reading out the neutral atom's state; we will investigate an alternative non-destructive state detection scheme. We detail the experimental systems involved and the challenges addressed in trapping a single atom. All of our hardware components are off the shelf and relatively inexpensive. Unlike many other systems, we place a high numerical aperture lens inside our vacuum system to increase photon collection efficiency. We gratefully acknowledge the financial support of the ARO through Grant # W911NF1520047.

Direct Measurement of Lateral Correlations under Controlled Nanoconfinement

NASA Astrophysics Data System (ADS)

Kékicheff, P.; Iss, J.; Fontaine, P.; Johner, A.

2018-03-01

Lateral correlations along hydrophobic surfaces whose separation can be varied continuously are measured by x-ray scattering using a modified surface force apparatus coupled with synchrotron radiation, named SFAX. A weak isotropic diffuse scattering along the equatorial plane is revealed for mica surfaces rendered hydrophobic and charge neutral by immersion in cationic surfactant solutions at low concentrations. The peak corresponds to a lateral surface correlation length ξ ≈12 nm , without long-range order. These findings are compatible with the atomic force microscopy imaging of a single surface, where adsorbed surfactant stripes appear surrounded by bare mica zones. Remarkably, the scattering patterns remain stable for gap widths D larger than the lateral period but change in intensity and shape (to a lesser extent) as soon as D <ξ . This evolution codes for a redistribution of counterions (counterion release from antagonistic patches) and the associated new x-ray labeling of the patterns. The redistribution of counterions is also the key mechanism to the long-range electrostatic attraction between similar, overall charge-neutral walls, reported earlier.

Atomic and Molecular Spectroscopic Studies of the DIII-D Neutral Beam Ion Source and Neutralizer

NASA Astrophysics Data System (ADS)

Crowley, B.; Rauch, J.; Scoville, J. T.; Sharma, S. K.; Choksi, B.

2015-11-01

The neutral beam system is interesting in that it comprises two distinct low temperature plasmas. Firstly, the ion source is typically a filament or RF driven plasma from which ions are extracted by a high voltage accelerator grid system. Secondly the neutralizer is essentially a low temperature plasma system with the beam serving as the primary ionization source and the neutralizer walls serving as conducting boundaries. Atomic spectroscopy of Doppler shifted D-alpha light emanating from the fast atoms is studied to determine the composition of the source and the divergence of the beam. Molecular spectroscopy involves measuring fine structure in electron-vibrational rotational bands. The technique has applications in low temperature plasmas and here it is used to determine gas temperature in the neutralizer. We describe the experimental set-up and the physics model used to relate the spectroscopic data to the plasma parameters and we present results of recent experiments exploring how to increase neutralization efficiency. Supported by the US DOE under DE-FC02-04ER54698.

Seasonal Variability in Global Eddy Diffusion and the Effect on Thermospheric Neutral Density

NASA Astrophysics Data System (ADS)

Pilinski, M.; Crowley, G.

2014-12-01

We describe a method for making single-satellite estimates of the seasonal variability in global-average eddy diffusion coefficients. Eddy diffusion values as a function of time between January 2004 and January 2008 were estimated from residuals of neutral density measurements made by the CHallenging Minisatellite Payload (CHAMP) and simulations made using the Thermosphere Ionosphere Mesosphere Electrodynamics - Global Circulation Model (TIME-GCM). The eddy diffusion coefficient results are quantitatively consistent with previous estimates based on satellite drag observations and are qualitatively consistent with other measurement methods such as sodium lidar observations and eddy-diffusivity models. The eddy diffusion coefficient values estimated between January 2004 and January 2008 were then used to generate new TIME-GCM results. Based on these results, the RMS difference between the TIME-GCM model and density data from a variety of satellites is reduced by an average of 5%. This result, indicates that global thermospheric density modeling can be improved by using data from a single satellite like CHAMP. This approach also demonstrates how eddy diffusion could be estimated in near real-time from satellite observations and used to drive a global circulation model like TIME-GCM. Although the use of global values improves modeled neutral densities, there are some limitations of this method, which are discussed, including that the latitude-dependence of the seasonal neutral-density signal is not completely captured by a global variation of eddy diffusion coefficients. This demonstrates the need for a latitude-dependent specification of eddy diffusion consistent with diffusion observations made by other techniques.

Seasonal variability in global eddy diffusion and the effect on neutral density

NASA Astrophysics Data System (ADS)

Pilinski, M. D.; Crowley, G.

2015-04-01

We describe a method for making single-satellite estimates of the seasonal variability in global-average eddy diffusion coefficients. Eddy diffusion values as a function of time were estimated from residuals of neutral density measurements made by the Challenging Minisatellite Payload (CHAMP) and simulations made using the thermosphere-ionosphere-mesosphere electrodynamics global circulation model (TIME-GCM). The eddy diffusion coefficient results are quantitatively consistent with previous estimates based on satellite drag observations and are qualitatively consistent with other measurement methods such as sodium lidar observations and eddy diffusivity models. Eddy diffusion coefficient values estimated between January 2004 and January 2008 were then used to generate new TIME-GCM results. Based on these results, the root-mean-square sum for the TIME-GCM model is reduced by an average of 5% when compared to density data from a variety of satellites, indicating that the fidelity of global density modeling can be improved by using data from a single satellite like CHAMP. This approach also demonstrates that eddy diffusion could be estimated in near real-time from satellite observations and used to drive a global circulation model like TIME-GCM. Although the use of global values improves modeled neutral densities, there are limitations to this method, which are discussed, including that the latitude dependence of the seasonal neutral-density signal is not completely captured by a global variation of eddy diffusion coefficients. This demonstrates the need for a latitude-dependent specification of eddy diffusion which is also consistent with diffusion observations made by other techniques.

Lamb shift of electronic states in neutral muonic helium, an electron-muon-nucleus system

NASA Astrophysics Data System (ADS)

Karshenboim, Savely G.; Ivanov, Vladimir G.; Amusia, Miron

2015-03-01

Neutral muonic helium is an exotic atomic system consisting of an electron, a muon, and a nucleus. Being a three-body system, it possesses a clear hierarchy. This allows us to consider it as a hydrogenlike atom with a compound nucleus, which is, in turn, another hydrogenlike system. There are a number of corrections to the Bohr energy levels, all of which can be treated as contributions of generic hydrogenlike theory. While the form of those contributions is the same for all hydrogenlike atoms, their relative numerical importance differs from atom to atom. Here, the leading contribution to the (electronic) Lamb shift in neutral muonic helium is found in a closed analytic form together with the most important corrections. We believe that the Lamb shift in neutral muonic hydrogen is measurable, at least through a measurement of the (electronic) 1 s -2 s transition. We present a theoretical prediction for the 1 s -2 s transitions with an uncertainty of 3 ppm (9 GHz ), as well as for the 2 s -2 p Lamb shift with an uncertainty of 1.3 GHz .

Dynamics behavior of lithium in graphite lattice: MD calculation approach

NASA Astrophysics Data System (ADS)

Shimizu, A.; Tachikawa, H.

2000-12-01

In order to investigate the diffusion process of Li atom in graphite, molecular dynamics simulation was achieved on the basis of molecular mechanics 2 (MM2) method using four layers cluster model one of which is composed of C150H30 with terminating hydrogen atoms. According to the simulations at 500 K, Li atom stabilizes initially around the center of mass, gets out of the graphite layers after 3.0 ps through diffusion, which is different from the movement of Li+ ion captured by the dangling bonds of the edge carbon atoms. The diffusion process of Li atom is found to be composed of following four steps in series: (1) vibration around the stabilization point; (2) bulk diffusion; (3) vibration under influence of the dangling bonds of edge carbon atoms; and (4) escape from the graphite layers. The diffusivity for step (3) is smaller than that for step (2).

Differences between Doppler velocities of ions and neutral atoms in a solar prominence

NASA Astrophysics Data System (ADS)

Anan, T.; Ichimoto, K.; Hillier, A.

2017-05-01

Context. In astrophysical systems with partially ionized plasma, the motion of ions is governed by the magnetic field while the neutral particles can only feel the magnetic field's Lorentz force indirectly through collisions with ions. The drift in the velocity between ionized and neutral species plays a key role in modifying important physical processes such as magnetic reconnection, damping of magnetohydrodynamic waves, transport of angular momentum in plasma through the magnetic field, and heating. Aims: This paper aims to investigate the differences between Doppler velocities of calcium ions and neutral hydrogen in a solar prominence to look for velocity differences between the neutral and ionized species. Methods: We simultaneously observed spectra of a prominence over an active region in H I 397 nm, H I 434 nm, Ca II 397 nm, and Ca II 854 nm using a high dispersion spectrograph of the Domeless Solar Telescope at Hida observatory. We compared the Doppler velocities, derived from the shift of the peak of the spectral lines presumably emitted from optically-thin plasma. Results: There are instances when the difference in velocities between neutral atoms and ions is significant, for example 1433 events ( 3% of sets of compared profiles) with a difference in velocity between neutral hydrogen atoms and calcium ions greater than 3σ of the measurement error. However, we also found significant differences between the Doppler velocities of two spectral lines emitted from the same species, and the probability density functions of velocity difference between the same species is not significantly different from those between neutral atoms and ions. Conclusions: We interpreted the difference of Doppler velocities as being a result of the motions of different components in the prominence along the line of sight, rather than the decoupling of neutral atoms from plasma. The movie attached to Fig. 1 is available at http://www.aanda.org

VUV absorption spectroscopy measurements of the role of fast neutral atoms in high-power gap breakdown

DOE Office of Scientific and Technical Information (OSTI.GOV)

FILUK,A.B.; BAILEY,JAMES E.; CUNEO,MICHAEL E.

The maximum power achieved in a wide variety of high-power devices, including electron and ion diodes, z pinches, and microwave generators, is presently limited by anode-cathode gap breakdown. A frequently-discussed hypothesis for this effect is ionization of fast neutral atoms injected throughout the anode-cathode gap during the power pulse. The authors describe a newly-developed diagnostic tool that provides the first direct test of this hypothesis. Time-resolved vacuum-ultraviolet absorption spectroscopy is used to directly probe fast neutral atoms with 1 mm spatial resolution in the 10 mm anode-cathode gap of the SABRE 5 MV, 1 TW applied-B ion diode. Absorption spectramore » collected during Ar RF glow discharges and with CO{sub 2} gas fills confirm the reliability of the diagnostic technique. Throughout the 50--100 ns ion diode pulses no measurable neutral absorption is seen, setting upper limits of 0.12--1.5 x 10{sup 14} cm{sup {minus}3} for ground state fast neutral atom densities of H, C, N, O, F. The absence of molecular absorption bands also sets upper limits of 0.16--1.2 x 10{sup 15} cm{sup {minus}3} for common simple molecules. These limits are low enough to rule out ionization throughout the gap as a breakdown mechanism. This technique can now be applied to quantify the role of neutral atoms in other high-power devices.« less

Investigation of diamond-like carbon samples as a charge state conversion surface for neutral atom imaging detectors in space applications

NASA Astrophysics Data System (ADS)

Brigitte Neuland, Maike; Riedo, Andreas; Scheer, Jürgen; Wurz, Peter

2014-05-01

The detection of energetic neutral atoms is a substantial requirement on every space mission mapping particle populations of a planetary magnetosphere or plasma of the interstellar medium. For imaging neutrals, these first have to be ionized. Regarding the constraints of weight, volume and power consumption, the technique of surface ionization complies with all specifications of a space mission. Particularly low energy neutral atoms, which cannot be ionized by passing through a foil, are ionized by scattering on a charge state conversion surface. Since more than 30 years intense research work is done to find suitable materials for use as charge state conversion surfaces. Crucial parameters are the ionisation efficiency of the surface material and the scattering properties. Against all expectations, insulators showed very promising characteristics for serving as conversion surfaces. Particularly diamond-like carbon was proven advantageously: While efficiently ionising incoming neutral atoms, diamond stands out by its durability and chemical inertness. In the IBEX-Lo sensor, a diamond-like carbon surface is used for ionisation of neutral atoms. Energy resolved maps of neutral atoms from the IBEX mission revealed phenomena of the interaction between heliosphere and local interstellar medium (LISM) that demand for new theory and explanations [McComas et al., 2011]. Building on the successes of the IBEX mission, a follow up mission concept to further explore the boundaries of the heliosphere already exists. The Interstellar MApping Probe (IMAP) is planned to map neutral atoms in a larger energy range and with a distinct better angular resolution and sensitivity than IBEX [McComas et al.]. The aspired performance of the IMAP sensors implies also for charge state conversion surfaces with improved characteristics. We investigated samples of diamond-like carbon, manufactured by the chemical vapour and pulsed laser deposition method, regarding their ionisation efficiency, scattering and reflexion properties. Experiments were carried out at the ILENA facility [Wahlström et al., 2013] with hydrogen and oxygen atoms, which are the species of main interest in magnetospheric research [Wurz et al., 1997]. Results of very narrow scattering cones and sufficient ionisation efficiency show that diamond-like carbon still is the preferred material for charge state conversion surfaces. But our measurements show that new surface technologies offer improved diamond conversion surfaces with different properties and hence the possibility for improvement of the performance of neutral atom imaging instruments. References: [McComas et al., 2011] D.J. McComas, H.O. Funsten, S.A. Fuselier, W.S. Lewis, E. Möbius and N.A. Schwadron, IBEX observations of Heliospheric energetic neutral atoms: Current understanding and future directions, Geophys. Res. Lett. 38, L18101, 2011 [McComas et al.] Interstellar Mapping Probe (IMAP) mission concept: Illuminating the dark boundaries at the edge of our solar system, decadal survey white paper [Wahlström et al., 2013] P. Wahlström, J.A. Scheer, A. Riedo, P. Wurz and M. Wieser, J. Spacecr. Rockets 50 (2), 402-410 [Wurz et al., 1997] P. Wurz, R. Schletti, M.R. Aellig, Hydrogen and oxygen negative ion production by surface ionization using diamond surfaces, Surf. Sci. 373, 56-66, 1997.

Spectroscopy of Cosmic Carbon Analogs in Inert-Gas Matrices and in the Gas-Phase: Comparative Results and Perspectives for Astrophysics

NASA Technical Reports Server (NTRS)

Salama, Farid; DeVincenzi, Donald L. (Technical Monitor)

2001-01-01

Recent studies of the spectroscopy of large (up to approx. 50 carbon atoms) neutral and Ionized polycyclic aromatic hydrocarbons (PAHs) and Fullerenes isolated in inert gas matrices will be presented. The advantages and the limitations of matrix isolation spectroscopy for the study of the molecular spectroscopy of interstellar dust analogs will be discussed. The laboratory data will be compared to the astronomical spectra (the interstellar extinction, the diffuse interstellar bands). Finally, the spectra of PAH ions isolated in neon/argon matrices will be compared to the spectra obtained for PAH ion seeded in a supersonic expansion. The astrophysical implications and future perspectives will be discussed.

The eXtra Small Analyzer for Neutrals (XSAN) instrument on-board of the Lunar-Glob lander

NASA Astrophysics Data System (ADS)

Wieser, Martin; Barabash, Stas

A large fraction of up to 20 precent of the solar wind impinging onto the lunar surface is reflected back to space as energetic neutral atoms. The SARA instrument on the Chandrayaan-1 mission provided a comprehensive coverage of the lunar surface of this interaction by mapping it from a 100 - 200 km orbit. The micro-physics of this reflection process is unexplored however. With the eXtra Small Analyzer for Neutrals instrument (XSAN) placed on the Lunar-Glob lander, we will directly investigate the production process of energetic neutral atoms from a vantage point of only meters from the surface for the first time. The XSAN design is based on the Solar Wind Monitor (SWIM) family of instruments originally flown on the Indian Chandrayaan-1 mission and with derivatives built e.g. for ESA's BepiColombo Mission to Mercury or for Phobos-Grunt. XSAN extends the functionality of this instrument family by adding a neutral atom to ion conversion surface in its entrance system. This will make it possible to measure detailed energy spectra and mass composition of the energetic neutral atoms originating from the lunar surface. We present an overview of the XSAN instrument and its science and report on latest developments.

The Nonisothermal Stage of Magnetic Star Formation. I. Formulation of the Problem and Method of Solution

NASA Astrophysics Data System (ADS)

Kunz, Matthew W.; Mouschovias, Telemachos Ch.

2009-03-01

We formulate the problem of the formation and subsequent evolution of fragments (or cores) in magnetically supported, self-gravitating molecular clouds in two spatial dimensions. The six-fluid (neutrals, electrons, molecular and atomic ions, positively charged, negatively charged, and neutral grains) physical system is governed by the radiation, nonideal magnetohydrodynamic equations. The magnetic flux is not assumed to be frozen in any of the charged species. Its evolution is determined by a newly derived generalized Ohm's law, which accounts for the contributions of both elastic and inelastic collisions to ambipolar diffusion and Ohmic dissipation. The species abundances are calculated using an extensive chemical-equilibrium network. Both MRN and uniform grain size distributions are considered. The thermal evolution of the protostellar core and its effect on the dynamics are followed by employing the gray flux-limited diffusion approximation. Realistic temperature-dependent grain opacities are used that account for a variety of grain compositions. We have augmented the publicly available Zeus-MP code to take into consideration all these effects and have modified several of its algorithms to improve convergence, accuracy, and efficiency. Results of magnetic star formation simulations that accurately track the evolution of a protostellar fragment from a density sime103 cm-3 to a density sime1015 cm-3, while rigorously accounting for both nonideal MHD processes and radiative transfer, are presented in a separate paper.

Large disparity between gallium and antimony self-diffusion in gallium antimonide.

PubMed

Bracht, H; Nicols, S P; Walukiewicz, W; Silveira, J P; Briones, F; Haller, E E

2000-11-02

The most fundamental mass transport process in solids is self-diffusion. The motion of host-lattice ('self-') atoms in solids is mediated by point defects such as vacancies or interstitial atoms, whose formation and migration enthalpies determine the kinetics of this thermally activated process. Self-diffusion studies also contribute to the understanding of the diffusion of impurities, and a quantitative understanding of self- and foreign-atom diffusion in semiconductors is central to the development of advanced electronic devices. In the past few years, self-diffusion studies have been performed successfully with isotopically controlled semiconductor heterostructures of germanium, silicon, gallium arsenide and gallium phosphide. Self-diffusion studies with isotopically controlled GaAs and GaP have been restricted to Ga self-diffusion, as only Ga has two stable isotopes, 69Ga and 71Ga. Here we report self-diffusion studies with an isotopically controlled multilayer structure of crystalline GaSb. Two stable isotopes exist for both Ga and Sb, allowing the simultaneous study of diffusion on both sublattices. Our experiments show that near the melting temperature, Ga diffuses more rapidly than Sb by over three orders of magnitude. This surprisingly large difference in atomic mobility requires a physical explanation going beyond standard diffusion models. Combining our data for Ga and Sb diffusion with related results for foreign-atom diffusion in GaSb (refs 8, 9), we conclude that the unusually slow Sb diffusion in GaSb is a consequence of reactions between defects on the Ga and Sb sublattices, which suppress the defects that are required for Sb diffusion.

Characterization of a 5-eV neutral atomic oxygen beam facility

NASA Technical Reports Server (NTRS)

Vaughn, J. A.; Linton, R. C.; Carruth, M. R., Jr.; Whitaker, A. F.; Cuthbertson, J. W.; Langer, W. D.; Motley, R. W.

1991-01-01

An experimental effort to characterize an existing 5-eV neutral atomic oxygen beam facility being developed at Princeton Plasma Physics Laboratory is described. This characterization effort includes atomic oxygen flux and flux distribution measurements using a catalytic probe, energy determination using a commercially designed quadrupole mass spectrometer (QMS), and the exposure of oxygen-sensitive materials in this beam facility. Also, comparisons were drawn between the reaction efficiencies of materials exposed in plasma ashers, and the reaction efficiencies previously estimated from space flight experiments. The results of this study show that the beam facility is capable of producing a directional beam of neutral atomic oxygen atoms with the needed flux and energy to simulate low Earth orbit (LEO) conditions for real time accelerated testing. The flux distribution in this facility is uniform to +/- 6 percent of the peak flux over a beam diameter of 6 cm.

The CO Transition from Diffuse Molecular Gas to Dense Clouds

NASA Astrophysics Data System (ADS)

Rice, Johnathan S.; Federman, Steven

2017-06-01

The atomic to molecular transitions occurring in diffuse interstellar gas surrounding molecular clouds are affected by the local physical conditions (density and temperature) and the radiation field penetrating the material. Our optical observations of CH, CH^{+}, and CN absorption from McDonald Observatory and the European Southern Observatory are useful tracers of this gas and provide the velocity structure needed for analyzing lower resolution ultraviolet observations of CO and H_{2} absorption from Far Ultraviolet Spectroscopic Explorer. We explore the changing environment between diffuse and dense gas by using the column densities and excitation temperatures from CO and H_{2} to determine the gas density. The resulting gas densities from this method are compared to densities inferred from other methods such as C_{2} and CN chemistry. The densities allow us to interpret the trends from the combined set of tracers. Groupings of sight lines, such as those toward h and χ Persei or Chameleon provide a chance for further characterization of the environment. The Chameleon region in particular helps illuminate CO-dark gas, which is not associated with emission from H I at 21 cm or from CO at 2.6 mm. Expanding this analysis to include emission data from the GOT C+ survey allows the further characterization of neutral diffuse gas, including CO-dark gas.

Turbomolecular Pumps for Holding Gases in Open Containers

NASA Technical Reports Server (NTRS)

Keller, John W.; Lorenz, John E.

2010-01-01

Proposed special-purpose turbomolecular pumps denoted turbotraps would be designed, along with mating open containers, to prevent the escape of relatively slowly (thermal) moving gas molecules from the containers while allowing atoms moving at much greater speeds to pass through. In the original intended applications, the containers would be electron-attachment cells, and the contained gases would be vapors of alkali metal atoms moving at thermal speeds that would be of the order of a fraction of 300 meters per second. These cells would be parts of apparatuses used to measure fluxes of neutral atoms incident at kinetic energies in the approximate range of 10 eV to 10 keV (corresponding to typical speeds of the order of 40,000 m/s and higher). The incident energetic neutral atoms would pass through the cells, wherein charge-exchange reactions with the alkali metal atoms would convert the neutral atoms to negative ions, which, in turn, could then be analyzed by use of conventional charged-particle optics.

Characterizations of SiN and AlN microfabricated waveguides for evanescent-field atom-trap applications

NASA Astrophysics Data System (ADS)

Lee, Jongmin; Eichenfield, Matt; Douglas, Erica; Mudrick, John; Biedermann, Grant; Jau, Yuan-Yu

2017-04-01

Trapping neutral atoms in the evanescent fields generated by microfabricated nano-waveguides will provide a new platform for neutral atom quantum controls via strong atom-photon interactions. At Sandia National Labs, we are aiming at developing the related technology that can enable the efficient optical coupling to the waveguide at multiple wavelengths, fabrication nano-waveguides to handle required optical power, more robust waveguide structure, and the new fabrication geometry to facilitate the cold-atom experiments. We will report our latest results on the related subjects. Sandia National Laboratories, Albuquerque, New Mexico 87185, USA.

Preface: Special Topic on Atomic and Molecular Layer Processing: Deposition, Patterning, and Etching

NASA Astrophysics Data System (ADS)

Engstrom, James R.; Kummel, Andrew C.

2017-02-01

Thin film processing technologies that promise atomic and molecular scale control have received increasing interest in the past several years, as traditional methods for fabrication begin to reach their fundamental limits. Many of these technologies involve at their heart phenomena occurring at or near surfaces, including adsorption, gas-surface reactions, diffusion, desorption, and re-organization of near-surface layers. Moreover many of these phenomena involve not just reactions occurring under conditions of local thermodynamic equilibrium but also the action of energetic species including electrons, ions, and hyperthermal neutrals. There is a rich landscape of atomic and molecular scale interactions occurring in these systems that is still not well understood. In this Special Topic Issue of The Journal of Chemical Physics, we have collected recent representative examples of work that is directed at unraveling the mechanistic details concerning atomic and molecular layer processing, which will provide an important framework from which these fields can continue to develop. These studies range from the application of theory and computation to these systems to the use of powerful experimental probes, such as X-ray synchrotron radiation, probe microscopies, and photoelectron and infrared spectroscopies. The work presented here helps in identifying some of the major challenges and direct future activities in this exciting area of research involving atomic and molecular layer manipulation and fabrication.

Preface: Special Topic on Atomic and Molecular Layer Processing: Deposition, Patterning, and Etching.

PubMed

Engstrom, James R; Kummel, Andrew C

2017-02-07

Thin film processing technologies that promise atomic and molecular scale control have received increasing interest in the past several years, as traditional methods for fabrication begin to reach their fundamental limits. Many of these technologies involve at their heart phenomena occurring at or near surfaces, including adsorption, gas-surface reactions, diffusion, desorption, and re-organization of near-surface layers. Moreover many of these phenomena involve not just reactions occurring under conditions of local thermodynamic equilibrium but also the action of energetic species including electrons, ions, and hyperthermal neutrals. There is a rich landscape of atomic and molecular scale interactions occurring in these systems that is still not well understood. In this Special Topic Issue of The Journal of Chemical Physics, we have collected recent representative examples of work that is directed at unraveling the mechanistic details concerning atomic and molecular layer processing, which will provide an important framework from which these fields can continue to develop. These studies range from the application of theory and computation to these systems to the use of powerful experimental probes, such as X-ray synchrotron radiation, probe microscopies, and photoelectron and infrared spectroscopies. The work presented here helps in identifying some of the major challenges and direct future activities in this exciting area of research involving atomic and molecular layer manipulation and fabrication.

Non-thermal distribution of O(1D) atoms in the night-time thermosphere

NASA Technical Reports Server (NTRS)

Yee, Jeng-Hwa

1988-01-01

The 6300 A O(1D-3P) emission has been used for many years to remotely monitor the thermospheric temperature from the Doppler width of its line profile. The O(1D) atoms in the nighttime thermosphere are initially produced by the dissociative recombination of O2(+) ions with kinetic energy much greater than the thermal energy of the ambient neutrals. The validity of the technique to monitor neutral ambient temperature by measuring O(1D) 6300 A emission depends on the degree of thermalization of the O(1D) atoms. The object of this study is to calculate the velocity distribution of the O(1D) atoms and to examine the effect of nonthermal distribution on the nighttime thermospheric neutral temperature determined.

First-principles investigation of point defect and atomic diffusion in Al2Ca

NASA Astrophysics Data System (ADS)

Tian, Xiao; Wang, Jia-Ning; Wang, Ya-Ping; Shi, Xue-Feng; Tang, Bi-Yu

2017-04-01

Point defects and atomic diffusion in Al2Ca have been studied from first-principles calculations within density functional framework. After formation energy and relative stability of point defects are investigated, several predominant diffusion processes in Al2Ca are studied, including sublattice one-step mechanism, 3-jump vacancy cycles and antistructure sublattice mechanism. The associated energy profiles are calculated with climbing image nudged elastic band (CI-NEB) method, then the saddle points and activation barriers during atomic diffusion are further determined. The resulted activation barriers show that both Al and Ca can diffuse mainly mediated by neighbor vacancy on their own sublattice. 3-jump cycle mechanism mediated by VCa may make some contribution to the overall Al diffusion. And antistructure (AS) sublattice mechanism can also play an important role in Ca atomic diffusion owing to the moderate activation barrier.

A nebula of gases from Io surrounding Jupiter.

PubMed

Krimigis, Stamatios M; Mitchell, Donald G; Hamilton, Douglas C; Dandouras, Jannis; Armstrong, Thomas P; Bolton, Scott J; Cheng, Andrew F; Gloeckler, George; Hsieh, K C; Keath, Edwin P; Krupp, Norbert; Lagg, Andreas; Lanzerotti, Louis J; Livi, Stefano; Mauk, Barry H; McEntire, Richard W; Roelof, Edmond C; Wilken, Berend; Williams, Donald J

2002-02-28

Several planetary missions have reported the presence of substantial numbers of energetic ions and electrons surrounding Jupiter; relativistic electrons are observable up to several astronomical units (au) from the planet. A population of energetic (>30[?]keV) neutral particles also has been reported, but the instrumentation was not able to determine the mass or charge state of the particles, which were subsequently labelled energetic neutral atoms. Although images showing the presence of the trace element sodium were obtained, the source and identity of the neutral atoms---and their overall significance relative to the loss of charged particles from Jupiter's magnetosphere---were unknown. Here we report the discovery by the Cassini spacecraft of a fast (>103[?]km[?]s-1) and hot magnetospheric neutral wind extending more than 0.5[?]au from Jupiter, and the presence of energetic neutral atoms (both hot and cold) that have been accelerated by the electric field in the solar wind. We suggest that these atoms originate in volcanic gases from Io, undergo significant evolution through various electromagnetic interactions, escape Jupiter's magnetosphere and then populate the environment around the planet. Thus a 'nebula' is created that extends outwards over hundreds of jovian radii.

A physics-based model for the ionization of samarium by the MOSC chemical releases in the upper atmosphere

NASA Astrophysics Data System (ADS)

Bernhardt, Paul A.; Siefring, Carl L.; Briczinski, Stanley J.; Viggiano, Albert; Caton, Ronald G.; Pedersen, Todd R.; Holmes, Jeffrey M.; Ard, Shaun; Shuman, Nicholas; Groves, Keith M.

2017-05-01

Atomic samarium has been injected into the neutral atmosphere for production of electron clouds that modify the ionosphere. These electron clouds may be used as high-frequency radio wave reflectors or for control of the electrodynamics of the F region. A self-consistent model for the photochemical reactions of Samarium vapor cloud released into the upper atmosphere has been developed and compared with the Metal Oxide Space Cloud (MOSC) experimental observations. The release initially produces a dense plasma cloud that that is rapidly reduced by dissociative recombination and diffusive expansion. The spectral emissions from the release cover the ultraviolet to the near infrared band with contributions from solar fluorescence of the atomic, molecular, and ionized components of the artificial density cloud. Barium releases in sunlight are more efficient than Samarium releases in sunlight for production of dense ionization clouds. Samarium may be of interest for nighttime releases but the artificial electron cloud is limited by recombination with the samarium oxide ion.

Low energy high angular resolution neutral atom detection by means of micro-shuttering techniques: the BepiColombo SERENA/ELENA sensor

NASA Astrophysics Data System (ADS)

Orsini, S.; di Lellis, A. M.; Milillo, A.; de Angelis, E.; Mura, A.; Selci, S.; Dandouras, I.; Cerulli-Irelli, P.; Leoni, R.; Mangano, V.; Massetti, S.; Mattioli, F.; Orfei, R.; Austin, C.; Medale, J.-L.; Vertolli, N.; di Giulio, D.

2009-06-01

The neutral sensor ELENA (Emitted Low-Energy Neutral Atoms) for the ESA cornerstone BepiColombo mission to Mercury (in the SERENA instrument package) is a new kind of low energetic neutral atoms instrument, mostly devoted to sputtering emission from planetary surfaces, from E~20 eV up to E~5 keV, within 1-D (2°×76°). ELENA is a Time-of-Flight (TOF) system, based on oscillating shutter (operated at frequencies up to a 100 kHz) and mechanical gratings: the incoming neutral particles directly impinge upon the entrance with a definite timing (START) and arrive to a STOP detector after a flight path. After a brief dissertation on the achievable scientific objectives, this paper describes the instrument, with the new design techniques approached for the neutral particles identification and the nano-techniques used for designing and manufacturing the nano-structure shuttering core of the ELENA sensor. The expected count-rates, based on the Hermean environment features, are shortly presented and discussed. Such design technologies could be fruitfully exported to different applications for planetary exploration.

Helium Energetic Neutral Atoms from the Heliosphere: Perspectives for Future Observations

NASA Astrophysics Data System (ADS)

Swaczyna, Paweł; Grzedzielski, Stan; Bzowski, Maciej

2017-05-01

Observations of energetic neutral atoms (ENAs) allow for remote sensing of plasma properties in distant regions of the heliosphere. So far, most of the observations have concerned only hydrogen atoms. In this paper, we present perspectives for observations of helium energetic neutral atoms (He ENAs). We calculated the expected intensities of He ENAs created by the neutralization of helium ions in the inner heliosheath and through the secondary ENA mechanism in the outer heliosheath. We found that the dominant source region for He ENAs is the inner heliosheath. The obtained magnitudes of intensity spectra suggest that He ENAs can be observed with future ENA detectors, as those planned on Interstellar Mapping and Acceleration Probe. Observing He ENAs is most likely for energies from a few to a few tens of keV/nuc. Estimates of the expected count rates show that the ratio of helium to hydrogen atoms registered in the detectors can be as low as 1:104. Consequently, the detectors need to be equipped with an appropriate mass spectrometer capability, allowing for recognition of chemical elements. Due to the long mean free paths of helium ions in the inner heliosheath, He ENAs are produced also in the distant heliospheric tail. This implies that observations of He ENAs can resolve its structure, which seems challenging from observations of hydrogen ENAs since energetic protons are neutralized before they progress deeper in the heliospheric tail.

Benchmark calculations of excess electrons in water cluster cavities: balancing the addition of atom-centered diffuse functions versus floating diffuse functions.

PubMed

Zhang, Changzhe; Bu, Yuxiang

2016-09-14

Diffuse functions have been proved to be especially crucial for the accurate characterization of excess electrons which are usually bound weakly in intermolecular zones far away from the nuclei. To examine the effects of diffuse functions on the nature of the cavity-shaped excess electrons in water cluster surroundings, both the HOMO and LUMO distributions, vertical detachment energies (VDEs) and visible absorption spectra of two selected (H2O)24(-) isomers are investigated in the present work. Two main types of diffuse functions are considered in calculations including the Pople-style atom-centered diffuse functions and the ghost-atom-based floating diffuse functions. It is found that augmentation of atom-centered diffuse functions contributes to a better description of the HOMO (corresponding to the VDE convergence), in agreement with previous studies, but also leads to unreasonable diffuse characters of the LUMO with significant red-shifts in the visible spectra, which is against the conventional point of view that the more the diffuse functions, the better the results. The issue of designing extra floating functions for excess electrons has also been systematically discussed, which indicates that the floating diffuse functions are necessary not only for reducing the computational cost but also for improving both the HOMO and LUMO accuracy. Thus, the basis sets with a combination of partial atom-centered diffuse functions and floating diffuse functions are recommended for a reliable description of the weakly bound electrons. This work presents an efficient way for characterizing the electronic properties of weakly bound electrons accurately by balancing the addition of atom-centered diffuse functions and floating diffuse functions and also by balancing the computational cost and accuracy of the calculated results, and thus is very useful in the relevant calculations of various solvated electron systems and weakly bound anionic systems.

Molecular dynamics simulation of metallic impurity diffusion in liquid lead-bismuth eutectic (LBE)

NASA Astrophysics Data System (ADS)

Gao, Yun; Takahashi, Minoru; Cavallotti, Carlo; Raos, Guido

2018-04-01

Corrosion of stainless steels by lead-bismuth eutectic (LBE) is an important problem which depends, amongst other things, on the diffusion of the steel components inside this liquid alloy. Here we present the results of classical molecular dynamics simulations of the diffusion of Fe and Ni within LBE. The simulations complement experimental studies of impurity diffusion by our group and provide an atomic-level understanding of the relevant diffusion phenomena. They are based on the embedded atom method (EAM) to represent many-body interactions among atoms. The EAM potentials employed in our simulations have been validated against ab initio density functional calculations. We show that the experimental and simulation results for the temperature-dependent viscosity of LBE and the impurity diffusion coefficients can be reconciled by assuming that the Ni and Fe diffuse mainly as nanoscopic clusters below 1300 K. The average Fe and Ni cluster sizes decrease with increasing the temperature and there is essentially single-atom diffusion at higher temperatures.

Experiments with bosonic atoms for quantum gas assembly

NASA Astrophysics Data System (ADS)

Brown, Mark; Lin, Yiheng; Lester, Brian; Kaufman, Adam; Ball, Randall; Brossard, Ludovic; Isaev, Leonid; Thiele, Tobias; Lewis-Swan, Robert; Schymik, Kai-Niklas; Rey, Ana Maria; Regal, Cindy

2017-04-01

Quantum gas assembly is a promising platform for preparing and observing neutral atom systems on the single-atom level. We have developed a toolbox that includes ground-state laser cooling, high-fidelity loading techniques, addressable spin control, and dynamic spatial control and coupling of atoms. Already, this platform has enabled us to pursue a number of experiments studying entanglement and interference of pairs of bosonic atoms. We discuss our recent work in probabilistically entangling neutral atoms via interference, measurement, and post-selection as well as our future pursuits of interesting spin-motion dynamics of larger arrays of atoms. This work was supported by the David and Lucile Packard Foundation, National Science Foundation Physics Frontier Centers, and the National Defense Science and Engineering Graduate Fellowships program.

Measurement-Based Entanglement of Noninteracting Bosonic Atoms

NASA Astrophysics Data System (ADS)

Lester, Brian J.; Lin, Yiheng; Brown, Mark O.; Kaufman, Adam M.; Ball, Randall J.; Knill, Emanuel; Rey, Ana M.; Regal, Cindy A.

2018-05-01

We demonstrate the ability to extract a spin-entangled state of two neutral atoms via postselection based on a measurement of their spatial configuration. Typically, entangled states of neutral atoms are engineered via atom-atom interactions. In contrast, in our Letter, we use Hong-Ou-Mandel interference to postselect a spin-singlet state after overlapping two atoms in distinct spin states on an effective beam splitter. We verify the presence of entanglement and determine a bound on the postselected fidelity of a spin-singlet state of (0.62 ±0.03 ). The experiment has direct analogy to creating polarization entanglement with single photons and hence demonstrates the potential to use protocols developed for photons to create complex quantum states with noninteracting atoms.

Measurement-Based Entanglement of Noninteracting Bosonic Atoms.

PubMed

Lester, Brian J; Lin, Yiheng; Brown, Mark O; Kaufman, Adam M; Ball, Randall J; Knill, Emanuel; Rey, Ana M; Regal, Cindy A

2018-05-11

We demonstrate the ability to extract a spin-entangled state of two neutral atoms via postselection based on a measurement of their spatial configuration. Typically, entangled states of neutral atoms are engineered via atom-atom interactions. In contrast, in our Letter, we use Hong-Ou-Mandel interference to postselect a spin-singlet state after overlapping two atoms in distinct spin states on an effective beam splitter. We verify the presence of entanglement and determine a bound on the postselected fidelity of a spin-singlet state of (0.62±0.03). The experiment has direct analogy to creating polarization entanglement with single photons and hence demonstrates the potential to use protocols developed for photons to create complex quantum states with noninteracting atoms.

Auroral zone effects on hydrogen geocorona structure and variability

NASA Technical Reports Server (NTRS)

Moore, T. E.; Biddle, A. P.; Waite, J. H., Jr.; Killeen, T. L.

1985-01-01

The effect of diurnal and magnetospheric modulations on the structure of the hydrogen geocorona is analyzed on the basis of recent observations. Particular attention is given to the enhancement of neutral escape by plasma effects, including the recently observed phenomenon of low-altitude ion acceleration. It is found that, while significant fluxes of neutral H should be produced by transverse ion acceleration in the auroral zone, the process is probably insufficient to account for the observed polar depletion of hydrogen atoms. Analysis of recent exospheric temperature measurements from the Dynamics Explorer-2 satellite suggest that neutral heating in and near the high latitude cusp may be the major contributor to depleted atomic hydrogen densities at high latitudes. Altitude profiles of the production rates for escaping neutral hydrogen atoms during periods of maximum, minimum, and typical solar activity are provided.

Simulation of atomic diffusion in the Fcc NiAl system: A kinetic Monte Carlo study

DOE PAGES

Alfonso, Dominic R.; Tafen, De Nyago

2015-04-28

The atomic diffusion in fcc NiAl binary alloys was studied by kinetic Monte Carlo simulation. The environment dependent hopping barriers were computed using a pair interaction model whose parameters were fitted to relevant data derived from electronic structure calculations. Long time diffusivities were calculated and the effect of composition change on the tracer diffusion coefficients was analyzed. These results indicate that this variation has noticeable impact on the atomic diffusivities. A reduction in the mobility of both Ni and Al is demonstrated with increasing Al content. As a result, examination of the pair interaction between atoms was carried out formore » the purpose of understanding the predicted trends.« less

Neutral recycling effects on ITG turbulence

DOE PAGES

Stotler, D. P.; Lang, J.; Chang, C. S.; ...

2017-07-04

Here, the effects of recycled neutral atoms on tokamak ion temperature gradient (ITG) driven turbulence have been investigated in a steep edge pedestal, magnetic separatrix configuration, with the full-f edge gryokinetic code XGC1. An adiabatic electron model has been used; hence, the impacts of neutral particles and turbulence on the density gradient are not considered, nor are electromagnetic turbulence effects. The neutral atoms enhance the ITG turbulence, first, by increasing the ion temperature gradient in the pedestal via the cooling effects of charge exchange and, second, by a relative reduction in themore » $$E\\times B$$ shearing rate.« less

Neutral recycling effects on ITG turbulence

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stotler, D. P.; Lang, J.; Chang, C. S.

Here, the effects of recycled neutral atoms on tokamak ion temperature gradient (ITG) driven turbulence have been investigated in a steep edge pedestal, magnetic separatrix configuration, with the full-f edge gryokinetic code XGC1. An adiabatic electron model has been used; hence, the impacts of neutral particles and turbulence on the density gradient are not considered, nor are electromagnetic turbulence effects. The neutral atoms enhance the ITG turbulence, first, by increasing the ion temperature gradient in the pedestal via the cooling effects of charge exchange and, second, by a relative reduction in themore » $$E\\times B$$ shearing rate.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Han, Chang W.; Iddir, Hakim; Uzun, Alper

To address the challenge of fast, direct atomic-scale visualization of the diffusion of atoms and clusters on surfaces, we used aberration-corrected scanning transmission electron microscopy (STEM) with high scan speeds (as little as ~0.1 s per frame) to visualize the diffusion of (1) a heavy atom (Ir) on the surface of a support consisting of light atoms, MgO(100), and (2) an Ir 3 cluster on MgO(110). Sequential Z-contrast images elucidate the diffusion mechanisms, including the hopping of Ir1 and the rotational migration of Ir 3 as two Ir atoms remain anchored to the surface. Density functional theory (DFT) calculations providedmore » estimates of the diffusion energy barriers and binding energies of the iridium species to the surfaces. The results show how the combination of fast-scan STEM and DFT calculations allow real-time visualization and fundamental understanding of surface diffusion phenomena pertaining to supported catalysts and other materials.« less

Real-space analysis of diffusion behavior and activation energy of individual monatomic ions in a liquid.

PubMed

Miyata, Tomohiro; Uesugi, Fumihiko; Mizoguchi, Teruyasu

2017-12-01

Investigation of the local dynamic behavior of atoms and molecules in liquids is crucial for revealing the origin of macroscopic liquid properties. Therefore, direct imaging of single atoms to understand their motions in liquids is desirable. Ionic liquids have been studied for various applications, in which they are used as electrolytes or solvents. However, atomic-scale diffusion and relaxation processes in ionic liquids have never been observed experimentally. We directly observe the motion of individual monatomic ions in an ionic liquid using scanning transmission electron microscopy (STEM) and reveal that the ions diffuse by a cage-jump mechanism. Moreover, we estimate the diffusion coefficient and activation energy for the diffusive jumps from the STEM images, which connect the atomic-scale dynamics to macroscopic liquid properties. Our method is the only available means to observe the motion, reactions, and energy barriers of atoms/molecules in liquids.

Collisional Cooling of Light Ions by Cotrapped Heavy Atoms.

PubMed

Dutta, Sourav; Sawant, Rahul; Rangwala, S A

2017-03-17

We experimentally demonstrate cooling of trapped ions by collisions with cotrapped, higher-mass neutral atoms. It is shown that the lighter ^{39}K^{+} ions, created by ionizing ^{39}K atoms in a magneto-optical trap (MOT), when trapped in an ion trap and subsequently allowed to cool by collisions with ultracold, heavier ^{85}Rb atoms in a MOT, exhibit a longer trap lifetime than without the localized ^{85}Rb MOT atoms. A similar cooling of trapped ^{85}Rb^{+} ions by ultracold ^{133}Cs atoms in a MOT is also demonstrated in a different experimental configuration to validate this mechanism of ion cooling by localized and centered ultracold neutral atoms. Our results suggest that the cooling of ions by localized cold atoms holds for any mass ratio, thereby enabling studies on a wider class of atom-ion systems irrespective of their masses.

Two-Dimensional Arrays of Neutral Atom Quantum Gates

DTIC Science & Technology

2012-10-20

Box 12211 Research Triangle Park, NC 27709-2211 15. SUBJECT TERMS quantum computing , Rydberg atoms, entanglement Mark Saffman University of...Nature Physics, (01 2009): 0. doi: 10.1038/nphys1178 10/19/2012 9.00 K. Mølmer, M. Saffman. Scaling the neutral-atom Rydberg gate quantum computer by...Saffman, E. Brion, K. Mølmer. Error Correction in Ensemble Registers for Quantum Repeaters and Quantum Computers , Physical Review Letters, (3 2008): 0

Fast diffusion of silver in TiO2 nanotube arrays

PubMed Central

Zhang, Wanggang; Liu, Yiming; Zhou, Diaoyu; Wang, Hui

2016-01-01

Summary Using magnetron sputtering and heat treatment, Ag@TiO2 nanotubes are prepared. The effects of heat-treatment temperature and heating time on the evolution of Ag nanofilms on the surface of TiO2 nanotubes and microstructure of Ag nanofilms are investigated by X-ray diffraction, field emission scanning electron microscopy, and transmission electron microscopy. Ag atoms migrate mainly on the outmost surface of the TiO2 nanotubes, and fast diffusion of Ag atoms is observed. The diffusivity for the diffusion of Ag atoms on the outmost surface of the TiO2 nanotubes at 400 °C is 6.87 × 10−18 m2/s, which is three orders of magnitude larger than the diffusivities for the diffusion of Ag through amorphous TiO2 films. The activation energy for the diffusion of Ag atoms on the outmost surface of the TiO2 nanotubes in the temperature range of 300 to 500 °C is 157 kJ/mol, which is less than that for the lattice diffusion of Ag and larger than that for the grain boundary diffusion. The diffusion of Ag atoms leads to the formation of Ag nanocrystals on the outmost surface of TiO2 nanotubes. Probably there are hardly any Ag nanocrystals formed inside the TiO2 nanotubes through the migration of Ag. PMID:27547630

Interfacial chemical and electronic structure of cobalt deposition on 2,7-dioctyl[1]benzothieno[3,2-b]benzothiophene (C8-BTBT)

NASA Astrophysics Data System (ADS)

Zhu, Menglong; Lyu, Lu; Niu, Dongmei; Zhang, Hong; Zhang, Yuhe; Liu, Peng; Gao, Yongli

2017-04-01

Interfacial chemical and electronic structure of Co deposition on 2,7-dioctyl[1]benzothieno[3,2-b]benzothiophene(C8-BTBT) was investigated by ultraviolet photoemission spectroscopy (UPS) and X-ray photoemission spectroscopy (XPS). Chemical reaction of cobalt with C8-BTBT at the interface is confirmed by a new component of S 2s peak which is electron-rich compared to the original one of C8-BTBT molecules. Intensity evolution of the core level in XPS indicates that the adsorption of Co atoms is mainly at the surface without deeper diffusion into C8-BTBT layer. Initial deposition of Co atoms downward shifts the core levels of C8-BTBT by electron transfer from isolated Co atoms or clusters to the C8-BTBT. Further deposition of Co upward shifts the core levels of C8-BTBT because of the neutralization of the thicker metal Co film. Our investigation suggests an inert buffer layer inserted to protect organic layer from reaction or decomposition and to lower the carrier barriers for both the electron and hole to improve the performance of Co/C8-BTBT-based OFETs.

STELLARATOR INJECTOR

DOEpatents

Post, R.F.

1962-09-01

A method and means are described for injecting energetic neutral atoms or molecular ions into dense magnetically collimated plasma columns of stellarators and the like in such a manner that the atoms or ions are able to significantly penetrate the column before being ionized by collision with the plasma constituent particles. Penetration of the plasma column by the neutral atoms or molecular ions is facilitated by superposition of two closely spaced magnetic mirrors on the plasma confinement field. The mirrors are moved apart to magnetically sweep plasma from a region between the mirrors and establish a relatively low plasma density therein. By virture of the low density, neutral atoms or molecular ions injected into the region significantly penetrate the plasma column before being ionized. Thereafter, the mirrors are diminished to permit the injected material to admix with the plasma in the remainder of the column. (AEC)

Inter-atomic force constants of BaF{sub 2} by diffuse neutron scattering measurement

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sakuma, Takashi, E-mail: sakuma@mx.ibaraki.ac.jp; Makhsun,; Sakai, Ryutaro

2015-04-16

Diffuse neutron scattering measurement on BaF{sub 2} crystals was performed at 10 K and 295 K. Oscillatory form in the diffuse scattering intensity of BaF{sub 2} was observed at 295 K. The correlation effects among thermal displacements of F-F atoms were obtained from the analysis of oscillatory diffuse scattering intensity. The force constants among neighboring atoms in BaF{sub 2} were determined and compared to those in ionic crystals and semiconductors.

Connection of the solar wind with the interstellar medium through numerical modeling

DOE PAGES

Heerikhuisen, J.; Zirnstein, E.; Kawamura, A. D.; ...

2013-06-13

In this article we investigate the interaction between the solar wind (SW) and the local interstellar medium (LISM) using spacecraft data and numerical simulations. In particular, we focus on neutral atom results from NASA's Interstellar Boundary EXplorer (IBEX) mission, and compare these with implementations of our neutral atom models that look at both the energetic neutral atoms (ENAs) which are created as hydrogen of LISM origin interacts with the heliosphere, as well as the transmission of interstellar Oxygen through the heliospheric interface. Lastly, the goal of this work is to better understand the global structure of the heliosphere and itsmore » interaction with the galaxy.« less

Dislocation-pipe diffusion in nitride superlattices observed in direct atomic resolution.

PubMed

Garbrecht, Magnus; Saha, Bivas; Schroeder, Jeremy L; Hultman, Lars; Sands, Timothy D

2017-04-06

Device failure from diffusion short circuits in microelectronic components occurs via thermally induced migration of atoms along high-diffusivity paths: dislocations, grain boundaries, and free surfaces. Even well-annealed single-grain metallic films contain dislocation densities of about 10 14  m -2 ; hence dislocation-pipe diffusion (DPD) becomes a major contribution at working temperatures. While its theoretical concept was established already in the 1950s and its contribution is commonly measured using indirect tracer, spectroscopy, or electrical methods, no direct observation of DPD at the atomic level has been reported. We present atomically-resolved electron microscopy images of the onset and progression of diffusion along threading dislocations in sequentially annealed nitride metal/semiconductor superlattices, and show that this type of diffusion can be independent of concentration gradients in the system but governed by the reduction of strain fields in the lattice.

Classification Order of Surface-Confined Intermixing at Epitaxial Interface

NASA Astrophysics Data System (ADS)

Michailov, M.

The self-organization phenomena at epitaxial interface hold special attention in contemporary material science. Being relevant to the fundamental physical problem of competing, long-range and short-range atomic interactions in systems with reduced dimensionality, these phenomena have found exacting academic interest. They are also of great technological importance for their ability to bring spontaneous formation of regular nanoscale surface patterns and superlattices with exotic properties. The basic phenomenon involved in this process is surface diffusion. That is the motivation behind the present study which deals with important details of diffusion scenarios that control the fine atomic structure of epitaxial interface. Consisting surface imperfections (terraces, steps, kinks, and vacancies), the interface offers variety of barriers for surface diffusion. Therefore, the adatoms and clusters need a certain critical energy to overcome the corresponding diffusion barriers. In the most general case the critical energies can be attained by variation of the system temperature. Hence, their values define temperature limits of system energy gaps associated with different diffusion scenarios. This systematization imply classification order of surface alloying: blocked, incomplete, and complete. On that background, two diffusion problems, related to the atomic-scale surface morphology, will be discussed. The first problem deals with diffusion of atomic clusters on atomically smooth interface. On flat domains, far from terraces and steps, we analyzed the impact of size, shape, and cluster/substrate lattice misfit on the diffusion behavior of atomic clusters (islands). We found that the lattice constant of small clusters depends on the number N of building atoms at 1 < N ≤ 10. In heteroepitaxy, this effect of variable lattice constant originates from the enhanced charge transfer and the strong influence of the surface potential on cluster atomic arrangement. At constant temperature, the variation of the lattice constant leads to variable misfit which affects the island migration. The cluster/substrate commensurability influences the oscillation behavior of the diffusion coefficient caused by variation in the cluster shape. We discuss the results in a physical model that implies cluster diffusion with size-dependent cluster/substrate misfit. The second problem is devoted to diffusion phenomena in the vicinity of atomic terraces on stepped or vicinal surfaces. Here, we develop a computational model that refines important details of diffusion behavior of adatoms accounting for the energy barriers at specific atomic sites (smooth domains, terraces, and steps) located on the crystal surface. The dynamic competition between energy gained by mixing and substrate strain energy results in diffusion scenario where adatoms form alloyed islands and alloyed stripes in the vicinity of terrace edges. Being in agreement with recent experimental findings, the observed effect of stripe and island alloy formation opens up a way regular surface patterns to be configured at different atomic levels on the crystal surface. The complete surface alloying of the entire interface layer is also briefly discussed with critical analysis and classification of experimental findings and simulation data.

Diffusion and mobility of atomic particles in a liquid

NASA Astrophysics Data System (ADS)

Smirnov, B. M.; Son, E. E.; Tereshonok, D. V.

2017-11-01

The diffusion coefficient of a test atom or molecule in a liquid is determined for the mechanism where the displacement of the test molecule results from the vibrations and motion of liquid molecules surrounding the test molecule and of the test particle itself. This leads to a random change in the coordinate of the test molecule, which eventually results in the diffusion motion of the test particle in space. Two models parameters of interaction of a particle and a liquid are used to find the activation energy of the diffusion process under consideration: the gas-kinetic cross section for scattering of test molecules in the parent gas and the Wigner-Seitz radius for test molecules. In the context of this approach, we have calculated the diffusion coefficient of atoms and molecules in water, where based on experimental data, we have constructed the dependence of the activation energy for the diffusion of test molecules in water on the interaction parameter and the temperature dependence for diffusion coefficient of atoms or molecules in water within the models considered. The statistically averaged difference of the activation energies for the diffusion coefficients of different test molecules in water that we have calculated based on each of the presented models does not exceed 10% of the diffusion coefficient itself. We have considered the diffusion of clusters in water and present the dependence of the diffusion coefficient on the cluster size. The accuracy of the presented formulas for the diffusion coefficient of atomic particles in water is estimated to be 50%.

Characteristics of Matrix Metals in Which Fast Diffusion of Foreign Metallic Elements Occurs

NASA Astrophysics Data System (ADS)

Mae, Yoshiharu

2018-04-01

A few foreign elements are known to diffuse faster than the self-diffusion of the matrix metal. However, the characteristics of the matrix metal, which contribute to such fast diffusion remain unknown. In this study, the diffusion coefficients of various elements were plotted on a TC-YM diagram. The matrix metals that show fast diffusion are located in the low thermal conductivity range of the TC-YM diagram, while diffuser elements that undergo fast diffusion are mainly gulf elements such as Fe, Ni, Co, Cr, and Cu. The gulf elements are those that show the largest combination of thermal conductivity and Young's modulus. The great difference in the electron mobility between the matrix metal and diffuser elements generates a repulsive force between them, and the repulsive force—acting between the soft and large atoms of the matrix metal and the hard and small atoms of the diffuser elements—deforms the atoms of the matrix metal to open passageways for fast diffusion of diffuser elements.

3-D Observation of dopant distribution at NAND flash memory floating gate using Atom probe tomography

NASA Astrophysics Data System (ADS)

Lee, Ji-hyun; Chae, Byeong-Kyu; Kim, Joong-Jeong; Lee, Sun Young; Park, Chan Gyung

2015-01-01

Dopant control becomes more difficult and critical as silicon devices become smaller. We observed the dopant distribution in a thermally annealed polysilicon gate using Transmission Electron Microscopy (TEM) and Atom probe tomography (APT). Phosphorus was doped at the silicon-nitride-diffusion-barrier-layer-covered polycrystalline silicon gate. Carbon also incorporated at the gate for the enhancement of operation uniformity. The impurity distribution was observed using atom probe tomography. The carbon atoms had segregated at grain boundaries and suppressed silicon grain growth. Phosphorus atoms, on the other hand, tended to pile-up at the interface. A 1-nm-thick diffusion barrier effectively blocked P atom out-diffusion. [Figure not available: see fulltext.

Dirac R -matrix calculations for the electron-impact excitation of neutral tungsten providing noninvasive diagnostics for magnetic confinement fusion

NASA Astrophysics Data System (ADS)

Smyth, R. T.; Ballance, C. P.; Ramsbottom, C. A.; Johnson, C. A.; Ennis, D. A.; Loch, S. D.

2018-05-01

Neutral tungsten is the primary candidate as a wall material in the divertor region of the International Thermonuclear Experimental Reactor (ITER). The efficient operation of ITER depends heavily on precise atomic physics calculations for the determination of reliable erosion diagnostics, helping to characterize the influx of tungsten impurities into the core plasma. The following paper presents detailed calculations of the atomic structure of neutral tungsten using the multiconfigurational Dirac-Fock method, drawing comparisons with experimental measurements where available, and includes a critical assessment of existing atomic structure data. We investigate the electron-impact excitation of neutral tungsten using the Dirac R -matrix method, and by employing collisional-radiative models, we benchmark our results with recent Compact Toroidal Hybrid measurements. The resulting comparisons highlight alternative diagnostic lines to the widely used 400.88-nm line.

A solenoidal synthetic field and the non-Abelian Aharonov-Bohm effects in neutral atoms

NASA Astrophysics Data System (ADS)

Huo, Ming-Xia; Nie, Wei; Hutchinson, David A. W.; Kwek, Leong Chuan

2014-08-01

Cold neutral atoms provide a versatile and controllable platform for emulating various quantum systems. Despite efforts to develop artificial gauge fields in these systems, realizing a unique ideal-solenoid-shaped magnetic field within the quantum domain in any real-world physical system remains elusive. Here we propose a scheme to generate a ``hairline'' solenoid with an extremely small size around 1 micrometer which is smaller than the typical coherence length in cold atoms. Correspondingly, interference effects will play a role in transport. Despite the small size, the magnetic flux imposed on the atoms is very large thanks to the very strong field generated inside the solenoid. By arranging different sets of Laguerre-Gauss (LG) lasers, the generation of Abelian and non-Abelian SU(2) lattice gauge fields is proposed for neutral atoms in ring- and square-shaped optical lattices. As an application, interference patterns of the magnetic type-I Aharonov-Bohm (AB) effect are obtained by evolving atoms along a circle over several tens of lattice cells. During the evolution, the quantum coherence is maintained and the atoms are exposed to a large magnetic flux. The scheme requires only standard optical access, and is robust to weak particle interactions.

A solenoidal synthetic field and the non-Abelian Aharonov-Bohm effects in neutral atoms.

PubMed

Huo, Ming-Xia; Nie, Wei; Hutchinson, David A W; Kwek, Leong Chuan

2014-08-08

Cold neutral atoms provide a versatile and controllable platform for emulating various quantum systems. Despite efforts to develop artificial gauge fields in these systems, realizing a unique ideal-solenoid-shaped magnetic field within the quantum domain in any real-world physical system remains elusive. Here we propose a scheme to generate a "hairline" solenoid with an extremely small size around 1 micrometer which is smaller than the typical coherence length in cold atoms. Correspondingly, interference effects will play a role in transport. Despite the small size, the magnetic flux imposed on the atoms is very large thanks to the very strong field generated inside the solenoid. By arranging different sets of Laguerre-Gauss (LG) lasers, the generation of Abelian and non-Abelian SU(2) lattice gauge fields is proposed for neutral atoms in ring- and square-shaped optical lattices. As an application, interference patterns of the magnetic type-I Aharonov-Bohm (AB) effect are obtained by evolving atoms along a circle over several tens of lattice cells. During the evolution, the quantum coherence is maintained and the atoms are exposed to a large magnetic flux. The scheme requires only standard optical access, and is robust to weak particle interactions.

A Herschel [C ii] Galactic plane survey. I. The global distribution of ISM gas components

NASA Astrophysics Data System (ADS)

Pineda, J. L.; Langer, W. D.; Velusamy, T.; Goldsmith, P. F.

2013-06-01

Context. The [C ii] 158 μm line is an important tool for understanding the life cycle of interstellar matter. Ionized carbon is present in a variety of phases of the interstellar medium (ISM), including the diffuse ionized medium, warm and cold atomic clouds, clouds in transition from atomic to molecular, and dense and warm photon dominated regions. Aims: Velocity-resolved observations of [C ii] are the most powerful technique available to disentangle the emission produced by these components. These observations can also be used to trace CO-dark H2 gas and determine the total mass of the ISM. Methods: The Galactic Observations of Terahertz C+ (GOT C+) project surveys the [C ii] 158 μm line over the entire Galactic disk with velocity-resolved observations using the Herschel/HIFI instrument. We present the first longitude-velocity maps of the [C ii] emission for Galactic latitudes b = 0°, ±0.5°, and ±1.0°. We combine these maps with those of H i, 12CO, and 13CO to separate the different phases of the ISM and study their properties and distribution in the Galactic plane. Results: [C ii] emission is mostly associated with spiral arms, mainly emerging from Galactocentric distances between 4 and 10 kpc. It traces the envelopes of evolved clouds as well as clouds that are in the transition between atomic and molecular. We estimate that most of the observed [C ii] emission is produced by dense photon dominated regions (~47%), with smaller contributions from CO-dark H2 gas (~28%), cold atomic gas (~21%), and ionized gas (~4%). Atomic gas inside the Solar radius is mostly in the form of cold neutral medium (CNM), while the warm neutral medium gas dominates the outer galaxy. The average fraction of CNM relative to total atomic gas is ~43%. We find that the warm and diffuse CO-dark H2 is distributed over a larger range of Galactocentric distances (4-11 kpc) than the cold and dense H2 gas traced by 12CO and 13CO (4-8 kpc). The fraction of CO-dark H2 to total H2 increases with Galactocentric distance, ranging from ~20% at 4 kpc to ~80% at 10 kpc. On average, CO-dark H2 accounts for ~30% of the molecular mass of the Milky Way. When the CO-dark H2 component is included, the radial distribution of the CO-to-H2 conversion factor is steeper than that when only molecular gas traced by CO is considered. Most of the observed [C ii] emission emerging from dense photon dominated regions is associated with modest far-ultraviolet fields in the range χ0 ≃ 1 - 30. Herschel is an ESA space observatory with science instruments provided by European-led Principal Investigator consortia and with important participation from NASA.Appendices are available in electronic form at http://www.aanda.org

Optimization of Neutral Atom Imagers

NASA Technical Reports Server (NTRS)

Shappirio, M.; Coplan, M.; Balsamo, E.; Chornay, D.; Collier, M.; Hughes, P.; Keller, J.; Ogilvie, K.; Williams, E.

2008-01-01

The interactions between plasma structures and neutral atom populations in interplanetary space can be effectively studied with energetic neutral atom imagers. For neutral atoms with energies less than 1 keV, the most efficient detection method that preserves direction and energy information is conversion to negative ions on surfaces. We have examined a variety of surface materials and conversion geometries in order to identify the factors that determine conversion efficiency. For chemically and physically stable surfaces smoothness is of primary importance while properties such as work function have no obvious correlation to conversion efficiency. For the noble metals, tungsten, silicon, and graphite with comparable smoothness, conversion efficiency varies by a factor of two to three. We have also examined the way in which surface conversion efficiency varies with the angle of incidence of the neutral atom and have found that the highest efficiencies are obtained at angles of incidence greater then 80deg. The conversion efficiency of silicon, tungsten and graphite were examined most closely and the energy dependent variation of conversion efficiency measured over a range of incident angles. We have also developed methods for micromachining silicon in order to reduce the volume to surface area over that of a single flat surface and have been able to reduce volume to surface area ratios by up to a factor of 60. With smooth micro-machined surfaces of the optimum geometry, conversion efficiencies can be increased by an order of magnitude over instruments like LENA on the IMAGE spacecraft without increase the instruments mass or volume.

Helium Energetic Neutral Atoms from the Heliosphere: Perspectives for Future Observations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Swaczyna, Paweł; Grzedzielski, Stan; Bzowski, Maciej, E-mail: pswaczyna@cbk.waw.pl

2017-05-10

Observations of energetic neutral atoms (ENAs) allow for remote sensing of plasma properties in distant regions of the heliosphere. So far, most of the observations have concerned only hydrogen atoms. In this paper, we present perspectives for observations of helium energetic neutral atoms (He ENAs). We calculated the expected intensities of He ENAs created by the neutralization of helium ions in the inner heliosheath and through the secondary ENA mechanism in the outer heliosheath. We found that the dominant source region for He ENAs is the inner heliosheath. The obtained magnitudes of intensity spectra suggest that He ENAs can bemore » observed with future ENA detectors, as those planned on Interstellar Mapping and Acceleration Probe . Observing He ENAs is most likely for energies from a few to a few tens of keV/nuc. Estimates of the expected count rates show that the ratio of helium to hydrogen atoms registered in the detectors can be as low as 1:10{sup 4}. Consequently, the detectors need to be equipped with an appropriate mass spectrometer capability, allowing for recognition of chemical elements. Due to the long mean free paths of helium ions in the inner heliosheath, He ENAs are produced also in the distant heliospheric tail. This implies that observations of He ENAs can resolve its structure, which seems challenging from observations of hydrogen ENAs since energetic protons are neutralized before they progress deeper in the heliospheric tail.« less

Search for an explanation for neutralization rates of atomic ion-ion reactions

NASA Astrophysics Data System (ADS)

Miller, Thomas M.; Wiens, Justin P.; Shuman, Nicholas S.; Viggiano, Albert A.

2016-09-01

We have measured well over a hundred rate coefficients k for cation-anion mutual neutralization reactions at thermal energies. For molecular ions, the k at 300 K tend not to vary more than a factor of two or three, presumably because a great many neutral states cross the incoming Coulombic potential energy curve. Atomic-atomic systems, for which there are few favorable curve crossings between the neutral and Coulombic curves, show variation of at least a factor of 60 in the measured k values at 300 K. For reactions involving the noble-gas cations, we assume that the final state is the lowest excited state of the neutral, plus the ground state of the neutralized anion, because otherwise the crossing distance R is so small that the curve-crossing probability is nil. We plotted measured k values (in cm3/s) vs the distance R (in bohr) at which the neutral and Coulombic curves cross, the found that the data are fairly well fit by a power law for k, 10-4R - 2 . 8 . The question is, is there a physical explanation for the observed dependence on R? We will discuss the data and the expectations of Landau-Zener theory. Supported by Air Force Office of Scientific Research (AFOSR-2303EP).

Sub-diffusion and trapped dynamics of neutral and charged probes in DNA-protein coacervates

NASA Astrophysics Data System (ADS)

Arfin, Najmul; Yadav, Avinash Chand; Bohidar, H. B.

2013-11-01

The physical mechanism leading to the formation of large intermolecular DNA-protein complexes has been studied. Our study aims to explain the occurrence of fast coacervation dynamics at the charge neutralization point, followed by the appearance of smaller complexes and slower coacervation dynamics as the complex experiences overcharging. Furthermore, the electrostatic potential and probe mobility was investigated to mimic the transport of DNA / DNA-protein complex in a DNA-protein complex coacervate medium [N. Arfin and H. B. Bohidar, J. Phys. Chem. B 116, 13192 (2012)] by assigning neutral, negative, or positive charge to the probe particle. The mobility of the neutral probe was maximal at low matrix concentrations and showed random walk behavior, while its mobility ceased at the jamming concentration of c = 0.6, showing sub-diffusion and trapped dynamics. The positively charged probe showed sub-diffusive random walk followed by trapped dynamics, while the negatively charged probe showed trapping with occasional hopping dynamics at much lower concentrations. Sub-diffusion of the probe was observed in all cases under consideration, where the electrostatic interaction was used exclusively as the dominant force involved in the dynamics. For neutral and positive probes, the mean square displacement ⟨R2⟩ exhibits a scaling with time as ⟨R2⟩ ˜ tα, distinguishing random walk and trapped dynamics at α = 0.64 ± 0.04 at c = 0.12 and c = 0.6, respectively. In addition, the same scaling factors with the exponent β = 0.64 ± 0.04 can be used to distinguish random walk and trapped dynamics for the neutral and positive probes using the relation between the number of distinct sites visited by the probe, S(t), which follows the scaling, S(t) ˜ tβ/ln (t). Our results established the occurrence of a hierarchy of diffusion dynamics experienced by a probe in a dense medium that is either charged or neutral.

ELENA MCP detector: absolute detection efficiency for low-energy neutral atoms

NASA Astrophysics Data System (ADS)

Rispoli, R.; De Angelis, E.; Colasanti, L.; Vertolli, N.; Orsini, S.; Scheer, J. A.; Mura, A.; Milillo, A.; Wurz, P.; Selci, S.; Di Lellis, A. M.; Leoni, R.; D'Alessandro, M.; Mattioli, F.; Cibella, S.

2012-09-01

Microchannel Plates (MCP) detectors are frequently used in space instrumentation for detecting a wide range of radiation and particles. In particular, the capability to detect non-thermal low energy neutral species is crucial for the sensor ELENA (Emitted Low-Energy Neutral Atoms), part of the package SERENA (Search for Exospheric Refilling and Emitted Natural Abundances) on board the BepiColombo mission of ESA to Mercury to be launched in 2015. ELENA is a Time of Flight (TOF) sensor, based on a novel concept using an ultra-sonic oscillating shutter (Start section), which is operated at frequencies up to 50 kHz; a MCP detector is used as a Stop detector. The scientific objective of ELENA is to detect energetic neutral atoms in the range 10 eV - 5 keV, within 76° FOV, perpendicular to the S/C orbital plane. ELENA will monitor the emission of neutral atoms from the whole surface of Mercury thanks to the spacecraft motion. The major scientific objectives are the interaction between the plasma environment and the planet’s surface, the global particle loss-rate and the remote sensing of the surface properties. In particular, surface release processes are investigated by identifying particles released from the surface, via solar wind-induced ion sputtering (< 1eV - < 100 eV) as well as Hydrogen back-scattered at hundreds eV. MCP absolute detection efficiency for very low energy neutral atoms (E < 30 eV) is a crucial point for this investigation. At the MEFISTO facility of the Physical Institute of the University of Bern (CH), measurements on three different types of MCP (with and without coating) have been performed providing the detection efficiencies in the energy range 10eV - 1keV. Outcomes from such measurements are discussed here.

ELENA MCP detector: absolute efficiency measurement for low energy neutral atoms

NASA Astrophysics Data System (ADS)

Rispoli, R.; De Angelis, E.; Colasanti, L.; Vertolli, N.; Orsini, S.; Scheer, J.; Mura, A.; Milillo, A.; Wurz, P.; Selci, S.; Di Lellis, A. M.; Leoni, R.; D'Alessandro, M.; Mattioli, F.; Cibella, S.

2012-04-01

MicroChannel plates (MCP) detectors are frequently used in space instrumentation for detecting a wide range of radiation and particles. In particular, the capability to detect non-thermal low energy neutral species is crucial for the sensor ELENA (Emitted Low-Energy Neutral Atoms), part of the package SERENA (Search for Exospheric Refilling and Emitted Natural Abundances) on board the BepiColombo mission to Mercury to be launched in 2014. ELENA is a TOF sensor, based on a novel concept ultra-sonic oscillating shutter (Start section)which is operated at frequencies up to 50 kHz; a MCP detector is used as a Stop section. It is aimed to detect neutral atoms in the range 10 eV - 5 keV, within 70° FOV, perpendicular to the S/C orbital plane. ELENA will monitor the emission of neutral atoms from the whole surface of Mercury thanks to the spacecraft motion. The major scientific objectives are the interaction between the environment and the planet, the global particle loss-rate and the remote sensing of the surface properties. In particular, surface release processes are investigated by identifying particles release from the surface, via solar wind-induced ion sputtering (<1eV and >100 eV) as well as Hydrogen back-scattered at hundreds eV. MCP absolute detection efficiency for very low energy neutral atoms (E< 30eV) is a crucial point not yet investigated. At the MEFISTO facility of the Physical Institute of University of Bern (CH), measurements on three different type of MCPs coating have been performed providing the behaviors of MCP detection efficiency in the range 10eV-1keV. Outcomes from such measurements are here discussed.

EFFECTS OF LASER RADIATION ON MATTER. LASER PLASMA: Characteristics of the scattering of neutral atoms by two counterpropagating pulsed optical fields

NASA Astrophysics Data System (ADS)

Grinchuk, V. A.; Grishina, I. A.; Kuzin, E. F.; Nagaeva, M. L.; Ryabenko, G. A.; Yakovlev, V. P.

1994-04-01

The scattering of neutral sodium atoms by a strong field of two counterpropagating (incident on and reflected from a mirror) short laser pulses was used in an experimental investigation of a stimulated radiation pressure. The reasons for the anomalous frequency structure in the scattering of atoms were identified. The oscillatory nature of the dependence of the scattering on the detuning from resonance was found to be significant in strong laser radiation fields. The oscillation period depended on the distance between the reflecting mirror and the atomic beam.

Performance evaluation of different diamond-like carbon samples as charge state conversion surfaces for neutral atom imaging detectors in space applications

NASA Astrophysics Data System (ADS)

Brigitte Neuland, Maike; Allenbach, Marc; Föhn, Martina; Wurz, Peter

2017-04-01

The detection of energetic neutral atoms is a substantial requirement on every space mission mapping particle populations of a planetary magnetosphere or plasma of the interstellar medium. For imaging neutrals, these first have to be ionised. Regarding the constraints of weight, volume and power consumption, the technique of surface ionisation complies with all specifications of a space mission. Particularly low energy neutral atoms, which cannot be ionised by passing through a foil, are ionised by scattering on a charge state conversion surface [1]. Since more than 30 years intense research work is done to find and optimise suitable materials for use as charge state conversion surfaces for space application. Crucial parameters are the ionisation efficiency of the surface material and the scattering properties. Regarding these parameters, diamond-like carbon was proven advantageously: While efficiently ionising incoming neutral atoms, diamond stands out by its durability and chemical inertness [2]. In the IBEX-Lo sensor, a diamond-like carbon surface is used for ionisation of neutral atoms. Building on the successes of the IBEX mission [3], the follow up mission IMAP (InterstellarMApping Probe) will take up to further explore the boundaries of the heliosphere. The IMAP mission is planned to map neutral atoms in a larger energy range and with a distinct better angular resolution and sensitivity than IBEX [4]. The aspired performance of the IMAP sensors implies also for charge state conversion surfaces with improved characteristics. We investigated samples of diamond-like carbon, manufactured by the chemical vapour deposition (CVD) method, regarding their ionisation efficiency, scattering and reflexion properties. Experiments were carried out at the ILENA facility at the University of Bern [5] with hydrogen and oxygen atoms, which are the species of main interest in magnetospheric research [1]. We compare the results of earlier investigations of a metallised CVD sample [6] to our latest measurements of a Boron-doped CVD diamond sample. We additionally measured the B-concentration in the sample to prove our predictions of the B-concentration needed to reach sufficient conductibility for the sample not getting electrostatically charged during instrument operation. The results of narrower scattering cones and higher ionisation efficiency show that diamond-like carbon still is the preferred material for charge state conversion surfaces and that new surface technologies offer improved diamond conversion surfaces with different properties and hence the possibility for improvement of the performance of neutral atom imaging instruments. References: [1] P. Wurz, Detection of Energetic Neutral Atoms, in The Outer Heliosphere: Beyond the Planets, Copernicus Gesellschaft e.V., Katlenburg-Lindau, Germany, 2000, p. 251-288. [2] P. Wurz, R. Schletti, M.R. Aellig, Surf. Sci. 373(1997), 56-66. [3] D.J. McComas et al., Geophys. Res. Lett. 38(2011), L18101. [4] N.A. Schwadron et al., J. of Phys.. Conf. Series 767(2016): 012025 [5] P. Wahlström, J.A. Scheer, A. Riedo, P. Wurz and M. Wieser, J. Spacecr. Rockets 50 (2013): 402-410. [6] M.B. Neuland, J.A. Scheer, A. Riedo and P. Wurz, Appl. Surf. Sci. 313(2014):293-303.

Simulation of field-induced molecular dissociation in atom-probe tomography: Identification of a neutral emission channel

NASA Astrophysics Data System (ADS)

Zanuttini, David; Blum, Ivan; Rigutti, Lorenzo; Vurpillot, François; Douady, Julie; Jacquet, Emmanuelle; Anglade, Pierre-Matthieu; Gervais, Benoit

2017-06-01

We investigate the dynamics of dicationic metal-oxide molecules under large electric-field conditions, on the basis of ab initio calculations coupled to molecular dynamics. Applied to the case of ZnO2 + in the field of atom probe tomography (APT), our simulation reveals the dissociation into three distinct exit channels. The proportions of these channels depend critically on the field strength and on the initial molecular orientation with respect to the field. For typical field strength used in APT experiments, an efficient dissociation channel leads to emission of neutral oxygen atoms, which escape detection. The calculated composition biases and their dependence on the field strength show remarkable consistency with recent APT experiments on ZnO crystals. Our work shows that bond breaking in strong static fields may lead to significant neutral atom production, and therefore to severe elemental composition biases in measurements.

Gas-Grain Models for Interstellar Anion Chemistry

NASA Technical Reports Server (NTRS)

Cordiner, M. A.; Charnely, S. B.

2012-01-01

Long-chain hydrocarbon anions C(sub n) H(-) (n = 4, 6, 8) have recently been found to be abundant in a variety of interstellar clouds. In order to explain their large abundances in the denser (prestellar/protostellar) environments, new chemical models are constructed that include gas-grain interactions. Models including accretion of gas-phase species onto dust grains and cosmic-ray-induced desorption of atoms are able to reproduce the observed anion-to-neutral ratios, as well as the absolute abundances of anionic and neutral carbon chains, with a reasonable degree of accuracy. Due to their destructive effects, the depletion of oxygen atoms onto dust results in substantially greater polyyne and anion abundances in high-density gas (with n(sub H2) approx > / cubic cm). The large abundances of carbon-chain-bearing species observed in the envelopes of protostars such as L1527 can thus be explained without the need for warm carbon-chain chemistry. The C6H(-) anion-to-neutral ratio is found to be most sensitive to the atomic O and H abundances and the electron density. Therefore, as a core evolves, falling atomic abundances and rising electron densities are found to result in increasing anion-to-neutral ratios. Inclusion of cosmic-ray desorption of atoms in high-density models delays freeze-out, which results in a more temporally stable anion-to-neutral ratio, in better agreement with observations. Our models include reactions between oxygen atoms and carbon-chain anions to produce carbon-chain-oxide species C6O, C7O, HC6O, and HC7O, the abundances of which depend on the assumed branching ratios for associative electron detachment

Enhanced nitrogen diffusion induced by atomic attrition

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ochoa, E.A.; Figueroa, C.A.; Czerwiec, T.

2006-06-19

The nitrogen diffusion in steel is enhanced by previous atomic attrition with low energy xenon ions. The noble gas bombardment generates nanoscale texture surfaces and stress in the material. The atomic attrition increases nitrogen diffusion at lower temperatures than the ones normally used in standard processes. The stress causes binding energy shifts of the Xe 3d{sub 5/2} electron core level. The heavy ion bombardment control of the texture and stress of the material surfaces may be applied to several plasma processes where diffusing species are involved.

Semiclassical neutral atom as a reference system in density functional theory.

PubMed

Constantin, Lucian A; Fabiano, E; Laricchia, S; Della Sala, F

2011-05-06

We use the asymptotic expansions of the semiclassical neutral atom as a reference system in density functional theory to construct accurate generalized gradient approximations (GGAs) for the exchange-correlation and kinetic energies without any empiricism. These asymptotic functionals are among the most accurate GGAs for molecular systems, perform well for solid state, and overcome current GGA state of the art in frozen density embedding calculations. Our results also provide evidence for the conjointness conjecture between exchange and kinetic energies of atomic systems.

Mechanisms of Ionospheric Mass Escape

NASA Technical Reports Server (NTRS)

Moore, T. E.; Khazanov, G. V.

2010-01-01

The dependence of ionospheric O+ escape flux on electromagnetic energy flux and electron precipitation into the ionosphere is derived for a hypothetical ambipolar pick-up process, powered the relative motion of plasmas and neutral upper atmosphere, and by electron precipitation, at heights where the ions are magnetized but influenced by photo-ionization, collisions with gas atoms, ambipolar and centrifugal acceleration. Ion pick-up by the convection electric field produces "ring-beam" or toroidal velocity distributions, as inferred from direct plasma measurements, from observations of the associated waves, and from the spectra of incoherent radar echoes. Ring-beams are unstable to plasma wave growth, resulting in rapid relaxation via transverse velocity diffusion, into transversely accelerated ion populations. Ion escape is substantially facilitated by the ambipolar potential, but is only weakly affected by centrifugal acceleration. If, as cited simulations suggest, ion ring beams relax into non-thermal velocity distributions with characteristic speed equal to the local ion-neutral flow speed, a generalized "Jeans escape" calculation shows that the escape flux of ionospheric O+ increases with Poynting flux and with precipitating electron density in rough agreement with observations.

Diagnostics of pre-breakdown light emission in a helium coplanar barrier discharge: the presence of neutral bremsstrahlung

NASA Astrophysics Data System (ADS)

Navrátil, Zdeněk; Morávek, Tomáš; Ráheľ, Jozef; Čech, Jan; Lalinský, Ondřej; Trunec, David

2017-05-01

Weak light emission (˜10-3 of active discharge signal; average count rate ˜ 1 photon s-1 nm-1) associated with surface charge relaxation during the dark phase of a helium diffuse coplanar barrier discharge was studied by optical emission spectroscopy, using a technique of phase-resolved single photon counting. The optical emission spectra of the dark phase contained luminescent bands of the dielectrics used (Al2O3, AlN) and spectral lines from the gas constituents (OH*, {{{N}}}2* , {{{N}}}2+* , He*, He{}2* , O*). During the charge relaxation event, a broad continuum appeared in the optical emission spectra, consisting of bremsstrahlung radiation and amplified luminescence of the dielectric barrier. The analysis presented suggests that the bremsstrahlung radiation originated from slow electrons colliding with neutral helium atoms. The fitting procedure we developed reproduced well the observed shape of the continuum. Moreover, it provided a method for the determination of electric field strength in the discharge during this particular phase. The electric field reached 1 kV cm-1 during the charge relaxation event.

Metal-Folded Single-Chain Nanoparticle: Nanoclusters and Self-Assembled Reduction-Responsive Sub-5-nm Discrete Subdomains.

PubMed

Cao, Hui; Cui, Zhigang; Gao, Pan; Ding, Yi; Zhu, Xuechao; Lu, Xinhua; Cai, Yuanli

2017-09-01

Easy access to discrete nanoclusters in metal-folded single-chain nanoparticles (metal-SCNPs) and independent ultrafine sudomains in the assemblies via coordination-driven self-assembly of hydrophilic copolymer containing 9% imidazole groups is reported herein. 1 H NMR, dynamic light scattering, and NMR diffusion-ordered spectroscopy results demonstrate self-assembly into metal-SCNPs (>70% imidazole-units folded) by neutralization in the presence of Cu(II) in water to pH 4.6. Further neutralization induces self-assembly of metal-SCNPs (pH 4.6-5.0) and shrinkage (pH 5.0-5.6), with concurrent restraining residual imidazole motifs and hydrophilic segment, which organized into constant nanoparticles over pH 5.6-7.5. Atomic force microscopy results evidence discrete 1.2 nm nanoclusters and sub-5-nm subdomains in metal-SCNP and assembled nanoparticle. Reduction of metal center using sodium ascorbate induces structural rearrangement to one order lower than the precursor. Enzyme mimic catalysis required media-tunable discrete ultrafine interiors in metal-SCNPs and assemblies have hence been achieved. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Electron energy balance and ionization in the channel of a stationary plasma thruster

DOE Office of Scientific and Technical Information (OSTI.GOV)

Veselovzorov, A. N., E-mail: Veselovzorov-AN@nrcki.ru; Pogorelov, A. A.; Svirskiy, E. B.

2016-03-15

The paper presents results of numerical simulations of the electron dynamics in the field of the azimuthal and longitudinal waves excited in the channel of a stationary plasma thruster (SPT). The simulations are based on the experimentally determined wave characteristics. The simulation results show that the azimuthal wave displayed as ionization instability enhances electron transport along the thruster channel. It is established that the electron transport rate in the azimuthal wave increases as compared to the rate of diffusion caused by electron scattering from neutral atoms in proportion to the ratio between the times of electron− neutral collisions responsible formore » ionization and elastic electron scattering, respectively. An expression governing the plasma conductivity is derived with allowance for electron interaction with the azimuthal wave. The Hall parameter, the electron component of the discharge current, and the electron heating power in the thruster channel are calculated for two model SPTs operating with krypton and xenon. The simulation results agree well with the results of experimental studies of these two SPTs.« less

Probing the structural evolution and bonding properties of PtnC2-/0 (n = 1-7) clusters by density functional calculations

NASA Astrophysics Data System (ADS)

Lu, Sheng-Jie

2018-05-01

We present a theoretical investigation on the structural evolution and bonding properties of PtnC2-/0 (n = 1-7) clusters using density functional theoretical calculations. The results showed that both anionic and neutral PtnC2 (n = 1-7) clusters primarily adopt 2D planar chain-shaped or ring-based structures. The two C atoms directly interact with each other to form a Csbnd C bond for n = 1-3, while the two C atoms are separated by the Pt atoms for n = 4-7, except for neutral Pt5C2. Pt4C2- anion and Pt4C2 neutral both show σ plus π double delocalized bonding patterns.

Diffusion in thorium carbide: A first-principles study

NASA Astrophysics Data System (ADS)

Pérez Daroca, D.; Llois, A. M.; Mosca, H. O.

2015-12-01

The prediction of the behavior of Th compounds under irradiation is an important issue for the upcoming Generation-IV nuclear reactors. The study of self-diffusion and hetero-diffusion is a central key to fulfill this goal. As a first approach, we obtained, by means of first-principles methods, migration and activation energies of Th and C atoms self-diffusion and diffusion of He atoms in ThC. We also calculate diffusion coefficients as a function of temperature.

Distribution of Gd(III) ions at the graphene oxide/water interface.

PubMed

Amirov, Rustem R; Shayimova, Julia; Dimiev, Ayrat M

2018-10-01

Graphene oxide (GO) have emerged recently as a novel material for sorbing metal cations from aqueous media. However, the literature data on sorption capacity differ by more than one order in magnitude, and the nature of the chemical bonding between GO and metal cations remains unclear. In this work we show that Gd 3+ ions are bound to GO by both coordinate-covalent bonding and electrostatic attraction with prevailing the former. We provide the complete account for the GO sorption toward Gd 3+ as the function of the Gd 3+ /GO ratio and pH of solution. The upper limits of the strong bonding are determined as 0.70 and 0.16 mmol(Gd 3+ )/g(GO) in the neutral and in the intrinsically acidic solutions, respectively. At large excess of Gd 3+ in the neutral solutions, the sorption capacity reaches 1.45 mmol(Gd 3+ )/g(GO). The effectiveness of water, hydrochloric acid and EDTA as desorbing eluents is compared. We experimentally demonstrate the existence of the Gd 3+ concentration gradient within the diffuse layer at the GO/water interface, and its exponential character on the distance from the GO surface. The thickness of the diffuse layer and the position of the slipping plane are estimated. Such characteristics, typical for colloid systems, show that in solutions, GO flakes form distinct phase, even though they are just one atom thick. Copyright © 2018 Elsevier Inc. All rights reserved.

A facility to study the particles released by ion sputtering process

NASA Astrophysics Data System (ADS)

de Angelis, E.; di Lellis, A. M.; Vannaroni, G.; Orsini, S.; Mangano, V.; Milillo, A.; Massetti, S.; Mura, A.; Vertolli, N.

2007-08-01

Research on the planetary surface erosion and planetary evolution could be enriched with the detection of the escaping material, in terms of energy and direction, caused by ions sputtering. A complete study of emitted neutral distribution from which infers the processes occurring on the impacted surface requires dedicated instrumentation, tailored on the peculiarity on the low energy profile of the sputtered signal. We propose a comprehensive facility at INAF/IFSI in Rome intended to provide the opportunity to investigate the interaction of selectable ion beam with planetary analogues through the detection of sputtered neutral atoms. The laboratory is equipped with a high volume UHV chamber, ion selectable sources in the range 0 to 10 keV, a set of 3D sample/sensor orientation motion actuation motors down to 1/100 deg resolution. The laboratory will support a set of neutral sensor heads sets derived from the Emitted for Low Energetic Neutral Atoms (ELENA) instrument under development for the ESA BepiColombo Mercury mission able to detect neutral atoms (few eV-up to 5 keV).

Calculation of low-Z impurity pellet induced fluxes of charge exchange neutral particles escaping from magnetically confined toroidal plasmas.

PubMed

Goncharov, P R; Ozaki, T; Sudo, S; Tamura, N; Tolstikhina, I Yu; Sergeev, V Yu

2008-10-01

Measurements of energy- and time-resolved neutral hydrogen and helium fluxes from an impurity pellet ablation cloud, referred to as pellet charge exchange or PCX experiments, can be used to study local fast ion energy distributions in fusion plasmas. The estimation of the local distribution function f(i)(E) of fast ions entering the cloud requires knowledge of both the fraction F(0)(E) of incident ions exiting the cloud as neutral atoms and the attenuation factor A(E,rho) describing the loss of fast atoms in the plasma. Determination of A(E,rho), in turn, requires the total stopping cross section sigma(loss) of neutral atoms in the plasma and the Jacobian reflecting the measurement geometry and the magnetic surface shape. The obtained functions F(0)(E) and A(E,rho) enter multiplicatively into the probability density for escaping neutral particle kinetic energy. A general calculation scheme has been developed and realized as a FORTRAN code, which is to be applied for the calculation of f(i)(E) from PCX experimental results obtained with low-Z impurity pellets.

Two Clock Transitions in Neutral Yb for the Highest Sensitivity to Variations of the Fine-Structure Constant.

PubMed

Safronova, Marianna S; Porsev, Sergey G; Sanner, Christian; Ye, Jun

2018-04-27

We propose a new frequency standard based on a 4f^{14}6s6p ^{3}P_{0}-4f^{13}6s^{2}5d (J=2) transition in neutral Yb. This transition has a potential for high stability and accuracy and the advantage of the highest sensitivity among atomic clocks to variation of the fine-structure constant α. We find its dimensionless α-variation enhancement factor to be K=-15, in comparison to the most sensitive current clock (Yb^{+}  E3, K=-6), and it is 18 times larger than in any neutral-atomic clocks (Hg, K=0.8). Combined with the unprecedented stability of an optical lattice clock for neutral atoms, this high sensitivity opens new perspectives for searches for ultralight dark matter and for tests of theories beyond the standard model of elementary particles. Moreover, together with the well-established ^{1}S_{0}-^{3}P_{0} transition, one will have two clock transitions operating in neutral Yb, whose interleaved interrogations may further reduce systematic uncertainties of such clock-comparison experiments.

Two Clock Transitions in Neutral Yb for the Highest Sensitivity to Variations of the Fine-Structure Constant

NASA Astrophysics Data System (ADS)

Safronova, Marianna S.; Porsev, Sergey G.; Sanner, Christian; Ye, Jun

2018-04-01

We propose a new frequency standard based on a 4 f146 s 6 p P0 3 -4 f136 s25 d (J =2 ) transition in neutral Yb. This transition has a potential for high stability and accuracy and the advantage of the highest sensitivity among atomic clocks to variation of the fine-structure constant α . We find its dimensionless α -variation enhancement factor to be K =-15 , in comparison to the most sensitive current clock (Yb+ E 3 , K =-6 ), and it is 18 times larger than in any neutral-atomic clocks (Hg, K =0.8 ). Combined with the unprecedented stability of an optical lattice clock for neutral atoms, this high sensitivity opens new perspectives for searches for ultralight dark matter and for tests of theories beyond the standard model of elementary particles. Moreover, together with the well-established 1S0-3P0 transition, one will have two clock transitions operating in neutral Yb, whose interleaved interrogations may further reduce systematic uncertainties of such clock-comparison experiments.

A slow atomic diffusion process in high-entropy glass-forming metallic melts

NASA Astrophysics Data System (ADS)

Chen, Changjiu; Wong, Kaikin; Krishnan, Rithin P.; Embs, Jan P.; Chathoth, Suresh M.

2018-04-01

Quasi-elastic neutron scattering has been used to study atomic relaxation processes in high-entropy glass-forming metallic melts with different glass-forming ability (GFA). The momentum transfer dependence of mean relaxation time shows a highly collective atomic transport process in the alloy melts with the highest and lowest GFA. However, a jump diffusion process is the long-range atomic transport process in the intermediate GFA alloy melt. Nevertheless, atomic mobility close to the melting temperature of these alloy melts is quite similar, and the temperature dependence of the diffusion coefficient exhibits a non-Arrhenius behavior. The atomic mobility in these high-entropy melts is much slower than that of the best glass-forming melts at their respective melting temperatures.

Influence of dislocation strain fields on the diffusion of interstitial iron impurities in silicon

NASA Astrophysics Data System (ADS)

Ziebarth, Benedikt; Mrovec, Matous; Elsässer, Christian; Gumbsch, Peter

2015-09-01

The efficiency of silicon (Si)-based solar cells is strongly affected by crystal defects and impurities. Metallic impurities, in particular interstitial iron (Fe) atoms, cause large electric losses because they act as recombination centers for photogenerated charge carriers. Here, we present a systematic first-principles density functional theory (DFT) study focusing on the influence of hydrostatic, uniaxial, and shear strains on the thermodynamic stability and the diffusivity of Fe impurities in crystalline Si. Our calculations show that the formation energy of neutral Fe interstitials in tetrahedral interstitial sites is almost unaffected by uniform deformations of the Si crystal up to strains of 5%. In contrast, the migration barrier varies significantly with strain, especially for hydrostatic deformation. In order to determine effective diffusion coefficients for different strain states, a kinetic Monte Carlo (kMC) model was set up based on the activation energy barriers and frequency factors obtained from the DFT simulations. By using the strain dependence of the migration barrier, we examined the migration of Fe interstitials in the vicinity of perfect 1 /2 <110 > screw and 60∘ mixed dislocations, and 1 /6 <112 > 90∘ and 30∘ partial dislocations. While the strain field of the perfect screw dislocation always enhances the local Fe diffusion, the existence of tensile and compressive regions around the 60∘ mixed dislocation results in a strong anisotropic diffusion profile with significantly faster and slower diffusivities on its tensile and compressive sides. The influences of the partial dislocations are qualitatively similar to that of the 60∘ mixed dislocation.

Focused beams of fast neutral atoms in glow discharge plasma

NASA Astrophysics Data System (ADS)

Grigoriev, S. N.; Melnik, Yu. A.; Metel, A. S.; Volosova, M. A.

2017-06-01

Glow discharge with electrostatic confinement of electrons in a vacuum chamber allows plasma processing of conductive products in a wide pressure range of p = 0.01 - 5 Pa. To assist processing of a small dielectric product with a concentrated on its surface beam of fast neutral atoms, which do not cause charge effects, ions from the discharge plasma are accelerated towards the product and transformed into fast atoms. The beam is produced using a negatively biased cylindrical or a spherical grid immersed in the plasma. Ions accelerated by the grid turn into fast neutral atoms at p > 0.1 Pa due to charge exchange collisions with gas atoms in the space charge sheaths adjoining the grid. The atoms form a diverging neutral beam and a converging beam propagating from the grid in opposite directions. The beam propagating from the concave surface of a 0.24-m-wide cylindrical grid is focused on a target within a 10-mm-wide stripe, and the beam from the 0.24-m-diameter spherical grid is focused within a 10-mm-diameter circle. At the bias voltage U = 5 kV and p ˜ 0.1 Pa, the energy of fast argon atoms is distributed continuously from zero to eU ˜ 5 keV. The pressure increase to 1 Pa results in the tenfold growth of their equivalent current and a decrease in the mean energy by an order of magnitude, which substantially raises the efficiency of material etching. Sharpening by the beam of ceramic knife-blades proved that the new method for the generation of concentrated fast atom beams can be effectively used for the processing of dielectric materials in vacuum.

Stabilization of very rare tautomers of 1-methylcytosine by an excess electron.

PubMed

Harańczyk, Maciej; Rak, Janusz; Gutowski, Maciej

2005-12-22

We characterized valence anionic states of 1-methylcytosine using various electronic structure methods. We found that the most stable valence anion is related to neither the canonical amino-oxo nor a rare imino-oxo tautomer, in which a proton is transferred from the N4 to N3 atom. Instead, it is related to an imino-oxo tautomer, in which the C5 atom is protonated. This anion is characterized by an electron vertical detachment energy (VDE) of 2.12 eV and it is more stable than the anion based on the canonical tautomer by 1.0 kcal/mol. The latter is characterized by a VDE of 0.31 eV. Another unusual low-lying imino-oxo tautomer with a VDE of 3.60 eV has the C6 atom protonated and is 3.6 kcal/mol less stable than the anion of the canonical tautomer. All these anionic states are adiabatically unbound with respect to the canonical amino-oxo neutral, with the instability of 5.8 kcal/mol for the most stable valence anion. The mechanism of formation of anionic tautomers with carbon atoms protonated may involve intermolecular proton transfer or dissociative electron attachment to the canonical neutral tautomer followed by a barrier-free attachment of a hydrogen atom to the C5 or C6 atom. The six-member ring structure of anionic tautomers with carbon atoms protonated is unstable upon an excess electron detachment. Indeed the neutral systems collapse without a barrier to a linear or a bicyclo structure, which might be viewed as lesions to DNA or RNA. Within the PCM hydration model, the anions become adiabatically bound with respect to the corresponding neutrals, and the two most stable tautomers have a carbon atom protonated.

Transport coefficients in high-temperature ionized air flows with electronic excitation

NASA Astrophysics Data System (ADS)

Istomin, V. A.; Oblapenko, G. P.

2018-01-01

Transport coefficients are studied in high-temperature ionized air mixtures using the modified Chapman-Enskog method. The 11-component mixture N2/N2+/N /N+/O2/O2+/O /O+/N O /N O+/e- , taking into account the rotational and vibrational degrees of freedom of molecules and electronic degrees of freedom of both atomic and molecular species, is considered. Using the PAINeT software package, developed by the authors of the paper, in wide temperature range calculations of the thermal conductivity, thermal diffusion, diffusion, and shear viscosity coefficients for an equilibrium ionized air mixture and non-equilibrium flow conditions for mixture compositions, characteristic of those in shock tube experiments and re-entry conditions, are performed. For the equilibrium air case, the computed transport coefficients are compared to those obtained using simplified kinetic theory algorithms. It is shown that neglecting electronic excitation leads to a significant underestimation of the thermal conductivity coefficient at temperatures higher than 25 000 K. For non-equilibrium test cases, it is shown that the thermal diffusion coefficients of neutral species and the self-diffusion coefficients of all species are strongly affected by the mixture composition, while the thermal conductivity coefficient is most strongly influenced by the degree of ionization of the flow. Neglecting electronic excitation causes noticeable underestimation of the thermal conductivity coefficient at temperatures higher than 20 000 K.

Revisiting the time until fixation of a neutral mutant in a finite population - A coalescent theory approach.

PubMed

Greenbaum, Gili

2015-09-07

Evaluation of the time scale of the fixation of neutral mutations is crucial to the theoretical understanding of the role of neutral mutations in evolution. Diffusion approximations of the Wright-Fisher model are most often used to derive analytic formulations of genetic drift, as well as for the time scales of the fixation of neutral mutations. These approximations require a set of assumptions, most notably that genetic drift is a stochastic process in a continuous allele-frequency space, an assumption appropriate for large populations. Here equivalent approximations are derived using a coalescent theory approach which relies on a different set of assumptions than the diffusion approach, and adopts a discrete allele-frequency space. Solutions for the mean and variance of the time to fixation of a neutral mutation derived from the two approaches converge for large populations but slightly differ for small populations. A Markov chain analysis of the Wright-Fisher model for small populations is used to evaluate the solutions obtained, showing that both the mean and the variance are better approximated by the coalescent approach. The coalescence approximation represents a tighter upper-bound for the mean time to fixation than the diffusion approximation, while the diffusion approximation and coalescence approximation form an upper and lower bound, respectively, for the variance. The converging solutions and the small deviations of the two approaches strongly validate the use of diffusion approximations, but suggest that coalescent theory can provide more accurate approximations for small populations. Copyright © 2015 Elsevier Ltd. All rights reserved.

Energetic neutral particles from Jupiter and Saturn

NASA Astrophysics Data System (ADS)

Cheng, A. F.

1986-04-01

The Voyager 1 spacecraft has detected energetic neutral particles escaping from the magnetospheres of Jupiter and Saturn. These energetic neutrals are created in charge exchange reactions between radiation belt ions and ambient atoms or molecules in the magnetosphere. If the Io torus is assumed to be the dominant Jovian source region for energetic neutrals, the Voyager observations can be used to infer upper limits to the average ion intensities there below about 200 keV. No readily interpretable in-situ measurements are available in the Io torus at these energies. The middle and outer Jovian magnetospheres may also be a significant source of energetic neutrals. At Saturn, the observed neutral particle count rates are too high to be explained by charge exchange between fast protons and H atoms of the Titan torus. Most of the energetic neutrals may be produced by charge exchanges between heavy ions and a neutral cloud containing H2O in Saturn's inner magnetosphere. If so, the Voyager measurements of energetic neutral fluxes would be the first detected emissions from this region of Saturn's magnetosphere.

Classical-trajectory simulation of accelerating neutral atoms with polarized intense laser pulses

NASA Astrophysics Data System (ADS)

Xia, Q. Z.; Fu, L. B.; Liu, J.

2013-03-01

In the present paper, we perform the classical trajectory Monte Carlo simulation of the complex dynamics of accelerating neutral atoms with linearly or circularly polarized intense laser pulses. Our simulations involve the ion motion as well as the tunneling ionization and the scattering dynamics of valence electron in the combined Coulomb and electromagnetic fields, for both helium (He) and magnesium (Mg). We show that for He atoms, only linearly polarized lasers can effectively accelerate the atoms, while for Mg atoms, we find that both linearly and circularly polarized lasers can successively accelerate the atoms. The underlying mechanism is discussed and the subcycle dynamics of accelerating trajectories is investigated. We have compared our theoretical results with a recent experiment [Eichmann Nature (London)NATUAS0028-083610.1038/nature08481 461, 1261 (2009)].

Manipulating Neutral Atoms in Chip-Based Magnetic Traps

NASA Technical Reports Server (NTRS)

Aveline, David; Thompson, Robert; Lundblad, Nathan; Maleki, Lute; Yu, Nan; Kohel, James

2009-01-01

Several techniques for manipulating neutral atoms (more precisely, ultracold clouds of neutral atoms) in chip-based magnetic traps and atomic waveguides have been demonstrated. Such traps and waveguides are promising components of future quantum sensors that would offer sensitivities much greater than those of conventional sensors. Potential applications include gyroscopy and basic research in physical phenomena that involve gravitational and/or electromagnetic fields. The developed techniques make it possible to control atoms with greater versatility and dexterity than were previously possible and, hence, can be expected to contribute to the value of chip-based magnetic traps and atomic waveguides. The basic principle of these techniques is to control gradient magnetic fields with suitable timing so as to alter a trap to exert position-, velocity-, and/or time-dependent forces on atoms in the trap to obtain desired effects. The trap magnetic fields are generated by controlled electric currents flowing in both macroscopic off-chip electromagnet coils and microscopic wires on the surface of the chip. The methods are best explained in terms of examples. Rather than simply allowing atoms to expand freely into an atomic waveguide, one can give them a controllable push by switching on an externally generated or a chip-based gradient magnetic field. This push can increase the speed of the atoms, typically from about 5 to about 20 cm/s. Applying a non-linear magnetic-field gradient exerts different forces on atoms in different positions a phenomenon that one can exploit by introducing a delay between releasing atoms into the waveguide and turning on the magnetic field.

Impact ionization study

NASA Technical Reports Server (NTRS)

Whipple, E. C., Jr.

1982-01-01

The impact ionization phenomenon which was observed on certain spacecraft was studied. The phenomenon occurs when a neutral atom, molecule, or ion strikes a surface with sufficient kinetic energy that either the incident neutral or atoms on the surface are ionized, with subsequent escape of ions and/or electrons. The released ions and electrons can interfere with measurements on the spacecraft by confusing interpretation of the data. On the other hand, there is the possibility that the effect could be developed into a diagnostic tool for investigating neutral atmospheric species or for studying physical processes on spacecraft surfaces.

Optical trapping and manipulation of neutral particles using lasers

PubMed Central

Ashkin, Arthur

1997-01-01

The techniques of optical trapping and manipulation of neutral particles by lasers provide unique means to control the dynamics of small particles. These new experimental methods have played a revolutionary role in areas of the physical and biological sciences. This paper reviews the early developments in the field leading to the demonstration of cooling and trapping of neutral atoms in atomic physics and to the first use of optical tweezers traps in biology. Some further major achievements of these rapidly developing methods also are considered. PMID:9144154

Enhancement of the Stability of Fluorine Atoms on Defective Graphene and at Graphene/Fluorographene Interface.

PubMed

Ao, Zhimin; Jiang, Quanguo; Li, Shuang; Liu, Hao; Peeters, Francois M; Li, Sean; Wang, Guoxiu

2015-09-09

Fluorinated graphene is one of the most important derivatives of graphene and has been found to have great potential in optoelectronic and photonic nanodevices. However, the stability of F atoms on fluorinated graphene under different conditions, which is essential to maintain the desired properties of fluorinated graphene, is still unclear. In this work, we investigate the diffusion of F atoms on pristine graphene, graphene with defects, and at graphene/fluorographene interfaces by using density functional theory calculations. We find that an isolated F atom diffuses easily on graphene, but those F atoms can be localized by inducing vacancies or absorbates in graphene and by creating graphene/fluorographene interfaces, which would strengthen the binding energy of F atoms on graphene and increase the diffusion energy barrier of F atoms remarkably.

Insights into thermal diffusion of germanium and oxygen atoms in HfO{sub 2}/GeO{sub 2}/Ge gate stacks and their suppressed reaction with atomically thin AlO{sub x} interlayers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ogawa, Shingo, E-mail: Shingo-Ogawa@trc.toray.co.jp; Graduate School of Engineering, Osaka University, 2-1 Yamadaoka, Suita, Osaka 565-0871; Asahara, Ryohei

2015-12-21

The thermal diffusion of germanium and oxygen atoms in HfO{sub 2}/GeO{sub 2}/Ge gate stacks was comprehensively evaluated by x-ray photoelectron spectroscopy and secondary ion mass spectrometry combined with an isotopic labeling technique. It was found that {sup 18}O-tracers composing the GeO{sub 2} underlayers diffuse within the HfO{sub 2} overlayers based on Fick's law with the low activation energy of about 0.5 eV. Although out-diffusion of the germanium atoms through HfO{sub 2} also proceeded at the low temperatures of around 200 °C, the diffusing germanium atoms preferentially segregated on the HfO{sub 2} surfaces, and the reaction was further enhanced at high temperatures withmore » the assistance of GeO desorption. A technique to insert atomically thin AlO{sub x} interlayers between the HfO{sub 2} and GeO{sub 2} layers was proven to effectively suppress both of these independent germanium and oxygen intermixing reactions in the gate stacks.« less

Self-learning kinetic Monte Carlo simulations of Al diffusion in Mg

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nandipati, Giridhar; Govind, Niranjan; Andersen, Amity

2016-03-16

Atomistic on-lattice self-learning kinetic Monte Carlo (SLKMC) method was used to examine the vacancy-mediated diffusion of an Al atom in pure hcp Mg. Local atomic environment dependent activation barriers for vacancy-atom exchange processes were calculated on-the-fly using climbing image nudged-elastic band method (CI-NEB) and using a Mg-Al binary modified embedded-atom method (MEAM) interatomic potential. Diffusivities of vacancy and Al atom in pure Mg were obtained from SLKMC simulations and are compared with values available in the literature that are obtained from experiments and first-principle calculations. Al Diffusivities obtained from SLKMC simulations are lower, due to larger activation barriers and lowermore » diffusivity prefactors, than those available in the literature but have same order of magnitude. We present all vacancy-Mg and vacancy-Al atom exchange processes and their activation barriers that were identified in SLKMC simulations. We will describe a simple mapping scheme to map a hcp lattice on to a simple cubic lattice that would enable hcp lattices to be simulated in an on-lattice KMC framework. We also present the pattern recognition scheme used in SLKMC simulations.« less

Method of producing microporous joints in metal bodies

DOEpatents

Danko, Joseph C.

1982-01-01

Tungsten is placed in contact with either molybdenum, tantalum, niobium, vanadium, rhenium, or other metal of atoms having a different diffusion coefficient than tungsten. The metals are heated so that the atoms having the higher diffusion coefficient migrate to the metal having the lower diffusion rate, leaving voids in the higher diffusion coefficient metal. Heating is continued until the voids are interconnected.

Self-diffusion on iridium (100). A structure investigation by field-ion microscopy

NASA Astrophysics Data System (ADS)

Friedl, A.; Schütz, O.; Müller, K.

1992-04-01

An iridium atom was thermally activated for diffusion on the (100) terrace of an Ir tip. The residence sites of the atom between diffusion cycles were recorded by means of a computer-controlled video system which generates a map of all occupied sites. For a field evaporated tip at low temperature this map is a c(2 × 2) grid indicating that only every other fourfold hollow in every other row of an undistor ted (100) surface can be occupied by a diffusing atom. This extraordinary behaviour was already reported by Chen and Tsong [Phys. Rev. Lett. 64 (1990) 3147]. The authors base their interpretation on an exchange diffusion mechanism. As an alternative explanation we propose a local adsorbate induced (2 × 2) reconstruction of the substrate. After heating the same terrace to temperatures above 500 K the residence map of the Ir atom indicates a (1 × 1) structure which, however, contains residues of a c(2 × 2) diffusion pattern: while the diffusion still takes place mainly on a c(2 × 2) sublattice, the diffusion path changes occasionally from one sublattice to the other. This can also be understood by local adsorbate induced distortions.

Antimatter plasmas in a multipole trap for antihydrogen.

PubMed

Andresen, G; Bertsche, W; Boston, A; Bowe, P D; Cesar, C L; Chapman, S; Charlton, M; Chartier, M; Deutsch, A; Fajans, J; Fujiwara, M C; Funakoshi, R; Gill, D R; Gomberoff, K; Hangst, J S; Hayano, R S; Hydomako, R; Jenkins, M J; Jørgensen, L V; Kurchaninov, L; Madsen, N; Nolan, P; Olchanski, K; Olin, A; Povilus, A; Robicheaux, F; Sarid, E; Silveira, D M; Storey, J W; Telle, H H; Thompson, R I; van der Werf, D P; Wurtele, J S; Yamazaki, Y

2007-01-12

We have demonstrated storage of plasmas of the charged constituents of the antihydrogen atom, antiprotons and positrons, in a Penning trap surrounded by a minimum-B magnetic trap designed for holding neutral antiatoms. The neutral trap comprises a superconducting octupole and two superconducting, solenoidal mirror coils. We have measured the storage lifetimes of antiproton and positron plasmas in the combined Penning-neutral trap, and compared these to lifetimes without the neutral trap fields. The magnetic well depth was 0.6 T, deep enough to trap ground state antihydrogen atoms of up to about 0.4 K in temperature. We have demonstrated that both particle species can be stored for times long enough to permit antihydrogen production and trapping studies.

Can molecular diffusion explain Space Shuttle plume spreading?

NASA Astrophysics Data System (ADS)

Meier, R. R.; Plane, John M. C.; Stevens, Michael H.; Paxton, L. J.; Christensen, A. B.; Crowley, G.

2010-04-01

The satellite-borne Global Ultraviolet Imager (GUVI) has produced more than 20 images of NASA Space Shuttle main engine plumes in the lower thermosphere. These reveal atomic hydrogen and, by inference, water vapor transport over hemispherical-scale distances with speeds much faster than expected from models of thermospheric wind motions. Furthermore, the hydrogen plumes expand rapidly. We find rates that exceed the horizontal diffusion speed at nominal plume altitudes of 104-112 km. Kelley et al. (2009) have proposed a 2-D turbulence mechanism to explain the observed spreading rates (and rapid advection) of the plumes. But upon further investigation, we conclude that H atom diffusion can indeed account for the observed expansion rates by recognizing that vertical diffusion quickly conveys atoms to higher altitudes where horizontal diffusion is much more rapid. We also find evidence for H atom production directly during the Shuttle's main engine burn.

Elastic scattering of X-rays and gamma rays by 2S electrons in ions and neutral atoms

NASA Astrophysics Data System (ADS)

Costescu, A.; Spânulescu, S.; Stoica, C.

2012-08-01

The nonrelativistic limit of Rayleigh scattering amplitude on 2s electrons of neutral and partially ionized atoms is obtained by making use of the Green Function method. The result takes into consideration the retardation, relativistic kinematics and screening effects. The spurious singularities introduced by the retardation in a nonrelativistic approach are cancelled by the relativistic kinematics. For neutral and partially ionized atoms, a screening model is considered with an effective charge obtained by fitting the Hartree-Fock charge distribution with pure Coulombian wave functions corresponding to a central potential of a nucleus with Zeff as the atomic number. The total cross section of the photoeffect on the 2s electrons is also calculated from the imaginary part of the forward scattering amplitude by means of the optical theorem. The numerical results obtained are in a good agreement (10%) with the ones obtained by Kissell for the Rayleigh amplitude and by Scofield for the Photoeffect total cross section on the 2s electrons, for atoms with atomic number 18 ≤ Z ≤ 92 and photon energies ω≤αZm. (α=1/137,... is the fine structure constant, m is the electron mass).

A solenoidal synthetic field and the non-Abelian Aharonov-Bohm effects in neutral atoms

PubMed Central

Huo, Ming-Xia; Nie, Wei; Hutchinson, David A. W.; Kwek, Leong Chuan

2014-01-01

Cold neutral atoms provide a versatile and controllable platform for emulating various quantum systems. Despite efforts to develop artificial gauge fields in these systems, realizing a unique ideal-solenoid-shaped magnetic field within the quantum domain in any real-world physical system remains elusive. Here we propose a scheme to generate a “hairline” solenoid with an extremely small size around 1 micrometer which is smaller than the typical coherence length in cold atoms. Correspondingly, interference effects will play a role in transport. Despite the small size, the magnetic flux imposed on the atoms is very large thanks to the very strong field generated inside the solenoid. By arranging different sets of Laguerre-Gauss (LG) lasers, the generation of Abelian and non-Abelian SU(2) lattice gauge fields is proposed for neutral atoms in ring- and square-shaped optical lattices. As an application, interference patterns of the magnetic type-I Aharonov-Bohm (AB) effect are obtained by evolving atoms along a circle over several tens of lattice cells. During the evolution, the quantum coherence is maintained and the atoms are exposed to a large magnetic flux. The scheme requires only standard optical access, and is robust to weak particle interactions. PMID:25103877

Semiannual and solar activity variations of daytime plasma observed by DEMETER in the ionosphere-plasmasphere transition region

NASA Astrophysics Data System (ADS)

Li, L. Y.; Cao, J. B.; Yang, J. Y.; Berthelier, J. J.; Lebreton, J.-P.

2015-12-01

Using the plasma data of Detection of Electro-Magnetic Emissions Transmitted from Earthquake Regions (DEMETER) satellite and the NRLMSISE-00 atmospheric model, we examined the semiannual and solar activity variations of the daytime plasma and neutral composition densities in the ionosphere-plasmasphere transition region (~670-710 km). The results demonstrate that the semiannually latitudinal variation of the daytime oxygen ions (O+) is basically controlled by that of neutral atomic oxygen (O), whereas the latitude distributions of the helium and hydrogen ions (He+ and H+) do not fully depend on the neutral atomic helium (He) and hydrogen (H). The summer enhancement of the heavy oxygen ions is consistent with the neutral O enhancement in the summer hemisphere, and the oxygen ion density has significantly the summer-dense and winter-tenuous hemispheric asymmetry with respect to the dip equator. Although the winter enhancements of the lighter He+ and H+ ions are also associated with the neutral He and H enhancements in the winter hemisphere, the high-density light ions (He+ and H+) and electrons (e-) mainly appear at the low and middle magnetic latitudes (|λ| < 50°). The equatorial accumulations of the light plasma species indicate that the light charged particles (He+, H+, and e-) are easily transported by some equatorward forces (e.g., the magnetic mirror force and centrifugal force). The frequent Coulomb collisions between the charged particles probably lead to the particle trappings at different latitudes. Moreover, the neutral composition densities also influence their ion concentrations during different solar activities. From the low-F10.7 year (2007-2008) to the high-F10.7 year (2004-2005), the daytime oxygen ions and electrons increase with the increasing neutral atomic oxygen, whereas the daytime hydrogen ions tend to decrease with the decreasing neutral atomic hydrogen. The helium ion density has no obvious solar activity variation, suggesting that the generation (via the neutral He photoionization) and loss (via the charge exchange with neutral nitrogen N2 and/or the recombination with electrons) of the daytime He+ ions are comparable during different solar activities.

Exciton diffusion in WSe2 monolayers embedded in a van der Waals heterostructure

NASA Astrophysics Data System (ADS)

Cadiz, F.; Robert, C.; Courtade, E.; Manca, M.; Martinelli, L.; Taniguchi, T.; Watanabe, K.; Amand, T.; Rowe, A. C. H.; Paget, D.; Urbaszek, B.; Marie, X.

2018-04-01

We have combined spatially resolved steady-state micro-photoluminescence with time-resolved photoluminescence to investigate the exciton diffusion in a WSe2 monolayer encapsulated with hexagonal boron nitride. At 300 K, we extract an exciton diffusion length of LX = 0.36 ± 0.02 μm and an exciton diffusion coefficient of DX = 14.5 ± 2 cm2/s. This represents a nearly 10-fold increase in the effective mobility of excitons with respect to several previously reported values on nonencapsulated samples. At cryogenic temperatures, the high optical quality of these samples has allowed us to discriminate the diffusion of the different exciton species: bright and dark neutral excitons, as well as charged excitons. The longer lifetime of dark neutral excitons yields a larger diffusion length of LXD=1.5 ±0.02 μ m.

Transport of neutral solute across articular cartilage: the role of zonal diffusivities.

PubMed

Arbabi, V; Pouran, B; Weinans, H; Zadpoor, A A

2015-07-01

Transport of solutes through diffusion is an important metabolic mechanism for the avascular cartilage tissue. Three types of interconnected physical phenomena, namely mechanical, electrical, and chemical, are all involved in the physics of transport in cartilage. In this study, we use a carefully designed experimental-computational setup to separate the effects of mechanical and chemical factors from those of electrical charges. Axial diffusion of a neutral solute Iodixanol into cartilage was monitored using calibrated microcomputed tomography micro-CT images for up to 48 hr. A biphasic-solute computational model was fitted to the experimental data to determine the diffusion coefficients of cartilage. Cartilage was modeled either using one single diffusion coefficient (single-zone model) or using three diffusion coefficients corresponding to superficial, middle, and deep cartilage zones (multizone model). It was observed that the single-zone model cannot capture the entire concentration-time curve and under-predicts the near-equilibrium concentration values, whereas the multizone model could very well match the experimental data. The diffusion coefficient of the superficial zone was found to be at least one order of magnitude larger than that of the middle zone. Since neutral solutes were used, glycosaminoglycan (GAG) content cannot be the primary reason behind such large differences between the diffusion coefficients of the different cartilage zones. It is therefore concluded that other features of the different cartilage zones such as water content and the organization (orientation) of collagen fibers may be enough to cause large differences in diffusion coefficients through the cartilage thickness.

Direct in situ observations of single Fe atom catalytic processes and anomalous diffusion at graphene edges

PubMed Central

Zhao, Jiong; Deng, Qingming; Avdoshenko, Stanislav M.; Fu, Lei; Eckert, Jürgen; Rümmeli, Mark H.

2014-01-01

Single-atom catalysts are of great interest because of their high efficiency. In the case of chemically deposited sp2 carbon, the implementation of a single transition metal atom for growth can provide crucial insight into the formation mechanisms of graphene and carbon nanotubes. This knowledge is particularly important if we are to overcome fabrication difficulties in these materials and fully take advantage of their distinct band structures and physical properties. In this work, we present atomically resolved transmission EM in situ investigations of single Fe atoms at graphene edges. Our in situ observations show individual iron atoms diffusing along an edge either removing or adding carbon atoms (viz., catalytic action). The experimental observations of the catalytic behavior of a single Fe atom are in excellent agreement with supporting theoretical studies. In addition, the kinetics of Fe atoms at graphene edges are shown to exhibit anomalous diffusion, which again, is in agreement with our theoretical investigations. PMID:25331874

Entangling two transportable neutral atoms via local spin exchange.

PubMed

Kaufman, A M; Lester, B J; Foss-Feig, M; Wall, M L; Rey, A M; Regal, C A

2015-11-12

To advance quantum information science, physical systems are sought that meet the stringent requirements for creating and preserving quantum entanglement. In atomic physics, robust two-qubit entanglement is typically achieved by strong, long-range interactions in the form of either Coulomb interactions between ions or dipolar interactions between Rydberg atoms. Although such interactions allow fast quantum gates, the interacting atoms must overcome the associated coupling to the environment and cross-talk among qubits. Local interactions, such as those requiring substantial wavefunction overlap, can alleviate these detrimental effects; however, such interactions present a new challenge: to distribute entanglement, qubits must be transported, merged for interaction, and then isolated for storage and subsequent operations. Here we show how, using a mobile optical tweezer, it is possible to prepare and locally entangle two ultracold neutral atoms, and then separate them while preserving their entanglement. Ground-state neutral atom experiments have measured dynamics consistent with spin entanglement, and have detected entanglement with macroscopic observables; we are now able to demonstrate position-resolved two-particle coherence via application of a local gradient and parity measurements. This new entanglement-verification protocol could be applied to arbitrary spin-entangled states of spatially separated atoms. The local entangling operation is achieved via spin-exchange interactions, and quantum tunnelling is used to combine and separate atoms. These techniques provide a framework for dynamically entangling remote qubits via local operations within a large-scale quantum register.

Ion-neutral-atom sympathetic cooling in a hybrid linear rf Paul and magneto-optical trap

NASA Astrophysics Data System (ADS)

Goodman, D. S.; Sivarajah, I.; Wells, J. E.; Narducci, F. A.; Smith, W. W.

2012-09-01

Long-range polarization forces between ions and neutral atoms result in large elastic scattering cross sections (e.g., ˜106a.u. for Na-Na+ or Na-Ca+ at cold and ultracold temperatures). This suggests that a hybrid ion-neutral trap should offer a general means for significant sympathetic cooling of atomic or molecular ions. We present simion 7.0 simulation results concerning the advantages and limitations of sympathetic cooling within a hybrid trap apparatus consisting of a linear rf Paul trap concentric with a Na magneto-optical trap (MOT). This paper explores the impact of various heating mechanisms on the hybrid system and how parameters related to the MOT, Paul trap, number of ions, and ion species affect the efficiency of the sympathetic cooling.

Diffusion of neutral and ionic species in charged membranes: boric acid, arsenite, and water.

PubMed

Goli, Esmaiel; Hiemstra, Tjisse; Van Riemsdijk, Willem H; Rahnemaie, Rasoul; Malakouti, Mohammad Jafar

2010-10-15

Dynamic ion speciation using DMT (Donnan membrane technique) requires insight into the physicochemical characteristics of diffusion in charged membranes (tortuosity, local diffusion coefficients) as well as ion accumulation. The latter can be precluded by studying the diffusion of neutral species, such as boric acid, B(OH)₃⁰(aq), arsenite, As(OH)₃⁰(aq), or water. In this study, the diffusion rate of B(OH)₃⁰ has been evaluated as a function of the concentration, pH, and ionic strength. The rate is linearly dependent on the concentration of solely the neutral species, without a significant contribution of negatively charged species such as B(OH)₄⁻, present at high pH. A striking finding is the very strong effect (factor of ~10) of the type of cation (K(+), Na(+), Ca(2+), Mg(2+), Al(3+), and H(+)) on the diffusion coefficient of B(OH)₃⁰ and also As(OH)₃⁰. The decrease of the diffusion coefficient can be rationalized as an enhancement of the mean viscosity of the confined solution in the membrane. The diffusion coefficients can be described by a semiempirical relationship, linking the mean viscosity of the confined solute of the membrane to the viscosity of the free solution. In proton-saturated membranes, as used in fuel cells, viscosity is relatively more enhanced; i.e., a stronger water network is formed. Extraordinarily, our B(OH)₃-calibrated model (in HNO₃) correctly predicts the reported diffusion coefficient of water (D(H₂O)), measured with ¹H NMR and quasi-elastic neutron scattering in H(+)-Nafion membranes. Upon drying these membranes, the local hydronium, H(H₂O)(n)(+), concentration and corresponding viscosity increase, resulting in a severe reduction of the diffusion coefficient (D(H₂O) ≈ 5-50 times), in agreement with the model. The present study has a second goal, i.e., development of the methodology for measuring the free concentration of neutral species in solution. Our data suggest that the free concentration can be measured with DMT in natural systems if one accounts for the variation in the cation composition of the membrane and corresponding viscosity/diffusion coefficient.

Single atoms in a MOT

DOE Office of Scientific and Technical Information (OSTI.GOV)

Meschede, Dieter; Ueberholz, Bernd; Gomer, Victor

1999-06-11

We are experimenting with individual neutral cesium atoms stored in a magneto-optical trap. The atoms are detected by their resonance fluorescence, and fluorescence fluctuations contain signatures of the atomic internal and external degrees of freedom. This noninvasive probe provides a rich source of information about atomic dynamics at all relevant time scales.

Neutral gas and diffuse interstellar bands in the LMC

NASA Technical Reports Server (NTRS)

Danks, Anthony C.; Penprase, Brian

1994-01-01

Tracing the dynamics of the neutral gas and observing diffuse interstellar bands in the LMC (Large Magellanic Cloud) was the focus of this study. The S/N values, a Quartz lamp exposure, a T horium Argon Comparision lamp exposure, and spectral plots for each star observed were taken. The stars observed were selected to sample the 30 Dor vicinty. NaI absorption profiles are included.

Integrated optical dipole trap for cold neutral atoms with an optical waveguide coupler

NASA Astrophysics Data System (ADS)

Lee, J.; Park, D. H.; Mittal, S.; Dagenais, M.; Rolston, S. L.

2013-04-01

An integrated optical dipole trap uses two-color (red and blue-detuned) traveling evanescent wave fields for trapping cold neutral atoms. To achieve longitudinal confinement, we propose using an integrated optical waveguide coupler, which provides a potential gradient along the beam propagation direction sufficient to confine atoms. This integrated optical dipole trap can support an atomic ensemble with a large optical depth due to its small mode area. Its quasi-TE0 waveguide mode has an advantage over the HE11 mode of a nanofiber, with little inhomogeneous Zeeman broadening at the trapping region. The longitudinal confinement eliminates the need for a one dimensional optical lattice, reducing collisional blockaded atomic loading, potentially producing larger ensembles. The waveguide trap allows for scalability and integrability with nano-fabrication technology. We analyze the potential performance of such integrated atom traps.

Structural changes of polyacids initiated by their neutralization with various alkali metal hydroxides. Diffusion studies in poly(acrylic acid)s.

PubMed

Masiak, Michal; Hyk, Wojciech; Stojek, Zbigniew; Ciszkowska, Malgorzata

2007-09-27

The changes in the three-dimensional structure of the poly(acrylic acid), PAA, induced by incorporation of various alkali-metal counterions have been evaluated by studying diffusion of an uncharged probe (1,1'-ferrocenedimethanol) in the polymeric media. The studies are supported by the measurements of conductivity and viscosity of the polymeric media. Solutions of linear PAA of four different sizes (molecular weights: 450,000, 750,000, 1,250,000, 4,000,000) were neutralized with hydroxides of alkali metals of group 1 of the periodic table (Li, Na, K, Rb, Cs) to the desired neutralization degree. The transport properties of the obtained polyacrylates were monitored by measuring the changes in the probe diffusion coefficient during the titration of the polyacids. The probe diffusivity was determined from the steady-state current of the probe voltammetric oxidation at disk microelectrodes. Diffusivity of the probe increases with the increase in the degree of neutralization and with the increase in viscosity. It reaches the maximum value at about 60-80% of the polyacid neutralization. The way the probe diffusion coefficients change is similar in all polyacid solutions and gels. The increase in the size of a metal cation causes, in general, an enhancement in the transport of probe molecules. The biggest differences in the probe diffusivities are between lithium and cesium polyacrylates. The differences between the results obtained for cesium and rubidium are not statistically significant due to lack of good precision of the voltammetric measurements. The measurements of the electric conductivity of polyacrylates and the theoretical predictions supplemented the picture of electrostatic interactions between the polyanionic chains and the metal cations of increasing size. In all instances of the PAAs, the viscosity of the solutions rapidly increases in the 0-60% range of neutralization and then becomes constant in the 60-100% region. With the exception of the shortest chain polyacid, the formation of a rigid medium (gel) has been observed in the experiments with all cations. After the end point of the titration was passed, a sudden drop in the viscosity and the disappearance of the gelatinous structure were seen. The largest value of viscosity has been recorded for the longest chain polyacid. The change in the cation of the strong base used did not affect the viscosity of the polymeric system.

Interactions of hydrogen with amorphous hafnium oxide

NASA Astrophysics Data System (ADS)

Kaviani, Moloud; Afanas'ev, Valeri V.; Shluger, Alexander L.

2017-02-01

We used density functional theory (DFT) calculations to study the interaction of hydrogen with amorphous hafnia (a -HfO2 ) using a hybrid exchange-correlation functional. Injection of atomic hydrogen, its diffusion towards electrodes, and ionization can be seen as key processes underlying charge instability of high-permittivity amorphous hafnia layers in many applications. Hydrogen in many wide band gap crystalline oxides exhibits negative-U behavior (+1 and -1 charged states are thermodynamically more stable than the neutral state) . Our results show that in a -HfO2 hydrogen is also negative-U, with charged states being the most thermodynamically stable at all Fermi level positions. However, metastable atomic hydrogen can share an electron with intrinsic electron trapping precursor sites [Phys. Rev. B 94, 020103 (2016)., 10.1103/PhysRevB.94.020103] forming a [etr -+O -H ] center, which is lower in energy on average by about 0.2 eV. These electron trapping sites can affect both the dynamics and thermodynamics of the interaction of hydrogen with a -HfO2 and the electrical behavior of amorphous hafnia films in CMOS devices.

Deep-down ionization of protoplanetary discs

NASA Astrophysics Data System (ADS)

Glassgold, A. E.; Lizano, S.; Galli, D.

2017-12-01

The possible occurrence of dead zones in protoplanetary discs subject to the magneto-rotational instability highlights the importance of disc ionization. We present a closed-form theory for the deep-down ionization by X-rays at depths below the disc surface dominated by far-ultraviolet radiation. Simple analytic solutions are given for the major ion classes, electrons, atomic ions, molecular ions and negatively charged grains. In addition to the formation of molecular ions by X-ray ionization of H2 and their destruction by dissociative recombination, several key processes that operate in this region are included, e.g. charge exchange of molecular ions and neutral atoms and destruction of ions by grains. Over much of the inner disc, the vertical decrease in ionization with depth into the disc is described by simple power laws, which can easily be included in more detailed modelling of magnetized discs. The new ionization theory is used to illustrate the non-ideal magnetohydrodynamic effects of Ohmic, Hall and Ambipolar diffusion for a magnetic model of a T Tauri star disc using the appropriate Elsasser numbers.

Ultraviolet surprise: Efficient soft x-ray high-harmonic generation in multiply ionized plasmas.

PubMed

Popmintchev, Dimitar; Hernández-García, Carlos; Dollar, Franklin; Mancuso, Christopher; Pérez-Hernández, Jose A; Chen, Ming-Chang; Hankla, Amelia; Gao, Xiaohui; Shim, Bonggu; Gaeta, Alexander L; Tarazkar, Maryam; Romanov, Dmitri A; Levis, Robert J; Gaffney, Jim A; Foord, Mark; Libby, Stephen B; Jaron-Becker, Agnieszka; Becker, Andreas; Plaja, Luis; Murnane, Margaret M; Kapteyn, Henry C; Popmintchev, Tenio

2015-12-04

High-harmonic generation is a universal response of matter to strong femtosecond laser fields, coherently upconverting light to much shorter wavelengths. Optimizing the conversion of laser light into soft x-rays typically demands a trade-off between two competing factors. Because of reduced quantum diffusion of the radiating electron wave function, the emission from each species is highest when a short-wavelength ultraviolet driving laser is used. However, phase matching--the constructive addition of x-ray waves from a large number of atoms--favors longer-wavelength mid-infrared lasers. We identified a regime of high-harmonic generation driven by 40-cycle ultraviolet lasers in waveguides that can generate bright beams in the soft x-ray region of the spectrum, up to photon energies of 280 electron volts. Surprisingly, the high ultraviolet refractive indices of both neutral atoms and ions enabled effective phase matching, even in a multiply ionized plasma. We observed harmonics with very narrow linewidths, while calculations show that the x-rays emerge as nearly time-bandwidth-limited pulse trains of ~100 attoseconds. Copyright © 2015, American Association for the Advancement of Science.

Microscale Effects from Global Hot Plasma Imagery

NASA Technical Reports Server (NTRS)

Moore, T. E.; Fok, M.-C.; Perez, J. D.; Keady, J. P.

1995-01-01

We have used a three-dimensional model of recovery phase storm hot plasmas to explore the signatures of pitch angle distributions (PADS) in global fast atom imagery of the magnetosphere. The model computes mass, energy, and position-dependent PADs based on drift effects, charge exchange losses, and Coulomb drag. The hot plasma PAD strongly influences both the storm current system carried by the hot plasma and its time evolution. In turn, the PAD is strongly influenced by plasma waves through pitch angle diffusion, a microscale effect. We report the first simulated neutral atom images that account for anisotropic PADs within the hot plasma. They exhibit spatial distribution features that correspond directly to the PADs along the lines of sight. We investigate the use of image brightness distributions along tangent-shell field lines to infer equatorial PADS. In tangent-shell regions with minimal spatial gradients, reasonably accurate PADs are inferred from simulated images. They demonstrate the importance of modeling PADs for image inversion and show that comparisons of models with real storm plasma images will reveal the global effects of these microscale processes.

Molecular dynamics simulation of framework flexibility effects on noble gas diffusion in HKUST-1 and ZIF-8

DOE PAGES

Parkes, Marie V.; Demir, Hakan; Teich-McGoldrick, Stephanie L.; ...

2014-03-28

Molecular dynamics simulations were used to investigate trends in noble gas (Ar, Kr, Xe) diffusion in the metal-organic frameworks HKUST-1 and ZIF-8. Diffusion occurs primarily through inter-cage jump events, with much greater diffusion of guest atoms in HKUST-1 compared to ZIF-8 due to the larger cage and window sizes in the former. We compare diffusion coefficients calculated for both rigid and flexible frameworks. For rigid framework simulations, in which the framework atoms were held at their crystallographic or geometry optimized coordinates, sometimes dramatic differences in guest diffusion were seen depending on the initial framework structure or the choice of frameworkmore » force field parameters. When framework flexibility effects were included, argon and krypton diffusion increased significantly compared to rigid-framework simulations using general force field parameters. Additionally, for argon and krypton in ZIF-8, guest diffusion increased with loading, demonstrating that guest-guest interactions between cages enhance inter-cage diffusion. No inter-cage jump events were seen for xenon atoms in ZIF-8 regardless of force field or initial structure, and the loading dependence of xenon diffusion in HKUST-1 is different for rigid and flexible frameworks. Diffusion of krypton and xenon in HKUST-1 depends on two competing effects: the steric effect that decreases diffusion as loading increases, and the “small cage effect” that increases diffusion as loading increases. Finally, a detailed analysis of the window size in ZIF-8 reveals that the window increases beyond its normal size to permit passage of a (nominally) larger krypton atom.« less

Neutral sodium atoms extraction by micrometeoroid impacts on the surface of Mercury

NASA Astrophysics Data System (ADS)

Cremonese, G.; Orsini, S.; Capria, M. T.; Milillo, A.; Mura, A.; Mangano, V.; Carbognani, A.

2003-04-01

The Mercury's exosphere is more dependent on the micrometeoroid impacts than the lunar exosphere and we have applied an order-to-magnitude calculation on the physical conditions of the sodium atoms during these events. This calculation shows the different ionization degree of sodium atoms depending on the meteoroid impact velocity and the related emission enhancements we may have observing the exosphere. We have applied the same calculation to the visible and UV doublets showing the large difference, a factor 5, between the two emission intensities only taking into account the same micrometeoroids contribution. Furthermore we provide a rough estimate for the impact magnitude in sodium light if we observe the night side of the Mercury's surface from the orbit of the ESA mission BepiColombo. Assuming a specific energy distribution of the emitted neutrals, we simulate the characteristics of the low-energy neutral atom fluxes as observable by the SERENA/ELENA instrument proposed on board the ESA BepiColombo Planetary Orbiter.

Energetic neutral atoms from a trans-Europa gas torus at Jupiter.

PubMed

Mauk, B H; Mitchell, D G; Krimigis, S M; Roelof, E C; Paranicas, C P

2003-02-27

The space environments--or magnetospheres--of magnetized planets emit copious quantities of energetic neutral atoms (ENAs) at energies between tens of electron volts to hundreds of kiloelectron volts (keV). These energetic atoms result from charge exchange between magnetically trapped energetic ions and cold neutral atoms, and they carry significant amounts of energy and mass from the magnetospheres. Imaging their distribution allows us to investigate the structure of planetary magnetospheres. Here we report the analysis of 50-80 keV ENA images of Jupiter's magnetosphere, where two distinct emission regions dominate: the upper atmosphere of Jupiter itself, and a torus of emission residing just outside the orbit of Jupiter's satellite Europa. The trans-Europa component shows that, unexpectedly, Europa generates a gas cloud comparable in gas content to that associated with the volcanic moon Io. The quantity of gas found indicates that Europa has a much greater impact than hitherto believed on the structure of, and the energy flow within, Jupiter's magnetosphere.

Structure assignment, electronic properties, and magnetism quenching of endohedrally doped neutral silicon clusters, Si(n)Co (n = 10-12).

PubMed

Li, Yejun; Tam, Nguyen Minh; Claes, Pieterjan; Woodham, Alex P; Lyon, Jonathan T; Ngan, Vu Thi; Nguyen, Minh Tho; Lievens, Peter; Fielicke, André; Janssens, Ewald

2014-09-18

The structures of neutral cobalt-doped silicon clusters have been assigned by a combined experimental and theoretical study. Size-selective infrared spectra of neutral Si(n)Co (n = 10-12) clusters are measured using a tunable IR-UV two-color ionization scheme. The experimental infrared spectra are compared with calculated spectra of low-energy structures predicted at the B3P86 level of theory. It is shown that the Si(n)Co (n = 10-12) clusters have endohedral caged structures, where the silicon frameworks prefer double-layered structures encapsulating the Co atom. Electronic structure analysis indicates that the clusters are stabilized by an ionic interaction between the Co dopant atom and the silicon cage due to the charge transfer from the silicon valence sp orbitals to the cobalt 3d orbitals. Strong hybridization between the Co dopant atom and the silicon host quenches the local magnetic moment on the encapsulated Co atom.

The terrestrial ring current - From in situ measurements to global images using energetic neutral atoms

NASA Technical Reports Server (NTRS)

Roelof, Edmond C.; Williams, Donald J.

1988-01-01

Electrical currents flowing in the equatorial magnetosphere, first inferred from ground-based magnetic disturbances, are carried by trapped energetic ions. Spacecraft measurements have determined the spectrum and composition of those currents, and the newly developed technique of energetic-neutral-atom imaging allows the global dynamics of that entire ion population to be viewed from a single spacecraft.

Quantum Error Correction with a Globally-Coupled Array of Neutral Atom Qubits

DTIC Science & Technology

2013-02-01

magneto - optical trap ) located at the center of the science cell. Fluorescence...Bottle beam trap GBA Gaussian beam array EMCCD electron multiplying charge coupled device microsec. microsecond MOT Magneto - optical trap QEC quantum error correction qubit quantum bit ...developed and implemented an array of neutral atom qubits in optical traps for studies of quantum error correction. At the end of the three year

IMPACT OF PLANETARY GRAVITATION ON HIGH-PRECISION NEUTRAL ATOM MEASUREMENTS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kucharek, H.; Möbius, E.; Lee, M. A.

2015-10-15

Measurements of energetic neutral atoms (ENAs) have been extremely successful in providing very important information on the physical processes inside and outside of our heliosphere. For instance, recent Interstellar Boundary Explorer (IBEX) observations have provided new insights into the local interstellar environment and improved measurements of the interstellar He temperature, velocity, and direction of the interstellar flow vector. Since particle collisions are rare, and radiation pressure is negligible for these neutrals, gravitational forces mainly determine the trajectories of neutral He atoms. Depending on the distance of an ENA to the source of a gravitational field and its relative speed andmore » direction, this can result in significant deflection and acceleration. In this paper, we investigate the impact of the gravitational effects of Earth, the Moon, and Jupiter on ENA measurements performed in Earth’s orbit. The results show that current analysis of the interstellar neutral parameters by IBEX is not significantly affected by planetary gravitational effects. We further studied the possibility of whether or not the Helium focusing cone of the Sun and Jupiter could be measured by IBEX and whether or not these cones could be used as an independent measure of the temperature of interstellar Helium.« less

Ion-Atom Cold Collisions and Atomic Clocks

NASA Technical Reports Server (NTRS)

Prestage, John D.; Maleki, Lute; Tjoelker, Robert L.

1997-01-01

Collisions between ultracold neutral atoms have for some time been the subject of investigation, initially with hydrogen and more recently with laser cooled alkali atoms. Advances in laser cooling and trapping of neutral atoms in a Magneto-Optic Trap (MOT) have made cold atoms available as the starting point for many laser cooled atomic physics investigations. The most spectacularly successful of these, the observation of Bose-Einstein Condensation (BEC) in a dilute ultra-cold spin polarized atomic vapor, has accelerated the study of cold collisions. Experimental and theoretical studies of BEC and the long range interaction between cold alkali atoms is at the boundary of atomic and low temperature physics. Such studies have been difficult and would not have been possible without the development and advancement of laser cooling and trapping of neutral atoms. By contrast, ion-atom interactions at low temperature, also very difficult to study prior to modern day laser cooling, have remained largely unexplored. But now, many laboratories worldwide have almost routine access to cold neutral atoms. The combined technologies of ion trapping, together with laser cooling of neutrals has made these studies experimentally feasible and several very important, novel applications might come out of such investigations . This paper is an investigation of ion-atom interactions in the cold and ultra-cold temperature regime. Some of the collisional ion-atom interactions present at room temperature are very much reduced in the low temperature regime. Reaction rates for charge transfer between unlike atoms, A + B(+) approaches A(+) + B, are expected to fall rapidly with temperature, approximately as T(sup 5/2). Thus, cold mixtures of atoms and ions are expected to coexist for very long times, unlike room temperature mixtures of the same ion-atom combination. Thus, it seems feasible to cool ions via collisions with laser cooled atoms. Many of the conventional collisional interactions, exploited as a useful tool at room temperature and higher, are greatly enhanced at low energy. For example, collisional spin transfer from one species of polarized atoms to another has long been a useful method for polarizing a sample of atoms where no other means was available. Because optical pumping cannot be used to polarize the nuclear spin of Xe-129 or He-3 (for use in nmr imaging of the lungs), the nuclear spins are polarized via collisions with an optically pumped Rb vapor in a cell containing both gases. In another case, a spin polarized thermal Cs beam was used to polarize the hyperfine states of trapped He(+)-3 ions in order to measure their hyperfine clock transition frequency. The absence of an x-ray light source to optically pump the ground state of the He(+)-3 ion necessitated this alternative state preparation. Similarly, Cd(+) and Sr(+) ions were spin-oriented via collisions in a cell with optically pumped Rb vapor. Resonant RF spin changing transitions in the ground state of the ions were detected by changes in the Rb resonance light absorption. Because cold collision spin exchange rates scale with temperature as T(sup -1/2) this technique is expected to be a far more powerful tool than the room temperature counterpart. This factor of 100 or more enhancement in spin exchange reaction rates at low temperatures is the basis for a novel trapped ion clock where laser cooled neutrals will cool, state select and monitor the ion clock transition. The advantage over conventional direct laser cooling of trapped ions is that the very expensive and cumbersome UV laser light sources, required to excite the ionic cooling transition, are effectively replaced by simple diode lasers.

Diffusion induced atomic islands on the surface of Ni/Cu nanolayers

NASA Astrophysics Data System (ADS)

Takáts, Viktor; Csik, Attila; Hakl, József; Vad, Kálmán

2018-05-01

Surface islands formed by grain-boundary diffusion has been studied in Ni/Cu nanolayers by in-situ low energy ion scattering spectroscopy, X-ray photoelectron spectroscopy, scanning probe microscopy and ex-situ depth profiling based on ion sputtering. In this paper a new experimental approach of measurement of grain-boundary diffusion coefficients is presented. Appearing time of copper atoms diffused through a few nanometer thick nickel layer has been detected by low energy ion scattering spectroscopy with high sensitivity. The grain-boundary diffusion coefficient can be directly calculated from this appearing time without using segregation factors in calculations. The temperature range of 423-463 K insures the pure C-type diffusion kinetic regime. The most important result is that surface coverage of Ni layer by Cu atoms reaches a maximum during annealing and stays constant if the annealing procedure is continued. Scanning probe microscopy measurements show a Volmer-Weber type layer growth of Cu layer on the Ni surface in the form of Cu atomic islands. Depth distribution of Cu in Ni layer has been determined by depth profile analysis.

Spectroscopy, Manipulation and Trapping of Neutral Atoms, Molecules, and Other Particles Using Optical Nanofibers: A Review

PubMed Central

Morrissey, Michael J.; Deasy, Kieran; Frawley, Mary; Kumar, Ravi; Prel, Eugen; Russell, Laura; Truong, Viet Giang; Chormaic, Síle Nic

2013-01-01

The use of tapered optical fibers, i.e., optical nanofibers, for spectroscopy and the detection of small numbers of particles, such as neutral atoms or molecules, has been gaining interest in recent years. In this review, we briefly introduce the optical nanofiber, its fabrication, and optical mode propagation within. We discuss recent progress on the integration of optical nanofibers into laser-cooled atom and vapor systems, paying particular attention to spectroscopy, cold atom cloud characterization, and optical trapping schemes. Next, a natural extension of this work to molecules is introduced. Finally, we consider several alternatives to optical nanofibers that display some advantages for specific applications. PMID:23945738

Sparse and Adaptive Diffusion Dictionary (SADD) for recovering intra-voxel white matter structure.

PubMed

Aranda, Ramon; Ramirez-Manzanares, Alonso; Rivera, Mariano

2015-12-01

On the analysis of the Diffusion-Weighted Magnetic Resonance Images, multi-compartment models overcome the limitations of the well-known Diffusion Tensor model for fitting in vivo brain axonal orientations at voxels with fiber crossings, branching, kissing or bifurcations. Some successful multi-compartment methods are based on diffusion dictionaries. The diffusion dictionary-based methods assume that the observed Magnetic Resonance signal at each voxel is a linear combination of the fixed dictionary elements (dictionary atoms). The atoms are fixed along different orientations and diffusivity profiles. In this work, we present a sparse and adaptive diffusion dictionary method based on the Diffusion Basis Functions Model to estimate in vivo brain axonal fiber populations. Our proposal overcomes the following limitations of the diffusion dictionary-based methods: the limited angular resolution and the fixed shapes for the atom set. We propose to iteratively re-estimate the orientations and the diffusivity profile of the atoms independently at each voxel by using a simplified and easier-to-solve mathematical approach. As a result, we improve the fitting of the Diffusion-Weighted Magnetic Resonance signal. The advantages with respect to the former Diffusion Basis Functions method are demonstrated on the synthetic data-set used on the 2012 HARDI Reconstruction Challenge and in vivo human data. We demonstrate that improvements obtained in the intra-voxel fiber structure estimations benefit brain research allowing to obtain better tractography estimations. Hence, these improvements result in an accurate computation of the brain connectivity patterns. Copyright © 2015 Elsevier B.V. All rights reserved.

IBEX-Lo Observations of Secondary Interstellar Helium and Oxygen Distributions

NASA Astrophysics Data System (ADS)

Park, J.; Kucharek, H.; Moebius, E.; Kubiak, M. A.; Bzowski, M.; Galli, A.; McComas, D. J.

2015-12-01

Observations of the Interstellar Boundary EXplorer (IBEX) show, among other features, the pristine interstellar neutral gas flow and additional populations associated with neutral helium and oxygen. Kubiak et al. (2014, ApJS, 213, 29) discovered the "Warm Breeze", or additional He component, which is slower and warmer than the primary interstellar He population and its flow direction differs by about 19° from the interstellar neutral (ISN) flow. Park et al. (2015, ApJS, In Press) studied the combined count rate maps of heavy neutral atoms with three statistical analysis methods and found an extended tail of the ISN O flow, centered around 190° in ecliptic longitude and +15° in ecliptic latitude, or approximately 38° from the ISN O and Ne flow peak. The most likely sources for the Warm Breeze and the extended O tail may be secondary populations of interstellar He and O, created by charge exchange between ISN atoms and interstellar ions in the outer heliosheath. The charge exchange between interstellar He atoms and He+ ions is the most important reaction to generate the secondary neutral He in the outer heliosheath, with a reaction rate of 1.7×10-10 s-1 and a mean free path of ~950 AU. For O+, the charge exchange with interstellar H atoms with a rate ~1.0×10-9 s-1 and a mean free path of ~100 AU is most important. Because the differences in the reaction rates and atomic masses for He and O result in different velocity distributions in the outer heliosheath, the directional distributions of these populations at Earth orbit are not identical. In this study, we use the IBEX flux maps of the observed helium and oxygen atoms to compare their directional distributions. These observed distributions may provide constraints and information to improve our current understanding of the interactions in the outer heliosheath.

Experimental investigations of low-energy (4 to 40 eV) collisions of O(-)(P2) ions and O(P3) atoms with surfaces

NASA Technical Reports Server (NTRS)

Chutjian, A.; Orient, O. J.; Murad, E.

1990-01-01

Using a newly-developed, magnetically confined source, low-energy, ground state oxygen negative ions and neutral atoms are generated. The energy range is variable, and atom and neutrals have been generated at energies varying from 2 eV to 40 eV and higher. It was found that the interaction of these low-energy species with a solid magnesium fluoride target leads to optical emissions in the (at least) visible and infrared regions of the spectrum. Researchers describe y details of the photodetachment source, and present spectra of the neutral and ion glows in the wavelength range 250 to 850 nm (for O(-)) and 600 to 850 nm (for O), and discuss the variability of the emissions for incident energies between 4 and 40 eV.

Experimental investigations of low-energy (4-40 eV) collisions of O-(2P) ions and O(3P) atoms with surfaces

NASA Technical Reports Server (NTRS)

Orient, O. J.; Chutjian, A.; Murad, E.

1990-01-01

Using a newly-developed, magnetically confined source, low-energy, ground state oxygen negative ions and neutral atoms are generated. The energy range is variable, and atom and neutrals have been generated at energies varying from 2 eV to 40 eV and higher. It was found that the interaction of these low-energy species with a solid magnesium fluoride target leads to optical emissions in the (at least) visible and infrared regions of the spectrum. Researchers describe y details of the photodetachment source, and present spectra of the neutral and ion glows in the wavelength range 250 to 850 nm (for O/-/) and 600 to 850 nm (for O), and discuss the variability of the emissions for incident energies between 4 and 40 eV.

Diffusion of uncharged probe reveals structural changes in polyacids initiated by their neutralization: poly(acrylic acids).

PubMed

Hyk, Wojciech; Masiak, Michal; Stojek, Zbigniew; Ciszkowska, Malgorzata

2005-03-17

The diffusion studies of the uncharged probe (1,1'-ferrocenedimethanol) have been successfully applied for the evaluation of the changes in the three-dimensional structure of poly(acrylic acids) of various molecular weights (ranging from 2000 to 4,000,000 g/mol) during their neutralization with a strong base. The qualitative picture of the macromolecule arrangement during the titration of the polyacids has been obtained from the conductometric measurements. The characteristic changes in the poly(acrylic acid) conductivity are practically the same for all polyacids examined and are in a very good agreement with the predictions of our theoretical model of the polyelectrolyte conductance. The transformation of the polyelectrolyte solution into the gel-like or gel phase has been investigated more quantitatively by tracing the changes in the diffusion coefficient of the uncharged probe redox system. The probe diffusivities, D, were determined using steady-state voltammetry at microelectrodes for a wide range of neutralization degree, alpha, of the polyacids tested. The dependencies of D versus alpha are of similar shape for all poly(acrylic acids). The first parts of the dependencies reflect a rapid increase in D (up to neutralization degree of either 45% for the lowest molecular-weight poly(acrylic acid) or 75-80% for other polyacids). They are followed by the parts of a slight drop in the diffusion coefficient. The changes in the probe diffusivity become stronger as the molecular weight of poly(acrylic acid) increases. The maximum probe diffusion coefficients are greater than the initial values in the pure polyacid solutions by 14, 24, 19, 30, and 28% for poly(acrylic acid) of molecular weights of 2000, 450,000, 1,250,000, 3,000,000, and 4,000,000 g/mol, respectively. The variation in the probe diffusion coefficient qualitatively follows the line of the changes in the macroscopic viscosity of the polyelectrolyte system. This is in contrast to the predictions of the Stokes-Einstein relation and, therefore, suggests that the changes in the probe diffusion rate are mainly due to the structural changes in the polyacrylate medium and the macromolecular rearrangements induced by the chemical, acid-base reaction. By adapting the obstruction model for diffusion in homogeneous gels, the transport characteristics of the probe were converted into the structural characteristics of the polyelectrolytic systems. It has been found that the most ordered structure of the polyelectrolyte, or in other words the most permeable structure, is obtained when poly(acrylic acid) is neutralized at 75-80%.

Roles of Vacancy/Interstitial Diffusion and Segregation in the Microchemistry at Grain Boundaries of Irradiated Fe-Cr-Ni alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Ying; Field, Kevin G.; Allen, Todd R.

2016-02-23

A detailed analysis of the diffusion fluxes near and at grain boundaries of irradiated Fe–Cr–Ni alloys, induced by preferential atom-vacancy and atom-interstitial coupling, is presented. The diffusion flux equations were based on the Perks model formulated through the linear theory of the thermodynamics of irreversible processes. The preferential atom-vacancy coupling was described by the mobility model, whereas the preferential atom-interstitial coupling was described by the interstitial binding model. The composition dependence of the thermodynamic factor was modeled using the CALPHAD approach. The calculated fluxes up to 10 dpa suggested the dominant diffusion mechanism for chromium and iron is via vacancy,more » while that for nickel can swing from the vacancy to the interstitial dominant mechanism. The diffusion flux in the vicinity of a grain boundary was found to be greatly modified by the segregation induced by irradiation, leading to the oscillatory behavior of alloy compositions in this region.« less

Effect of nickel on point defects diffusion in Fe – Ni alloys

DOE PAGES

Anento, Napoleon; Serra, Anna; Osetsky, Yury N.

2017-05-05

Iron-Nickel alloys are perspective alloys as nuclear energy structural materials because of their good radiation damage tolerance and mechanical properties. Understanding of experimentally observed features such as the effect of Ni content to radiation defects evolution is essential for developing predictive models of radiation. Recently an atomic-scale modelling study has revealed one particular mechanism of Ni effect related to the reduced mobility of clusters of interstitial atoms in Fe-Ni alloys. In this paper we present results of the microsecond-scale molecular dynamics study of point defects, i.e. vacancies and self-interstitial atoms, diffusion in Fe-Ni alloys. It is found that the additionmore » of Ni atoms affects diffusion processes: diffusion of vacancies is enhanced in the presence of Ni, whereas diffusion of interstitials is reduced and these effects increase at high Ni concentration and low temperature. As a result, the role of Ni solutes in radiation damage evolution in Fe-Ni alloys is discussed.« less

Strain-engineered diffusive atomic switching in two-dimensional crystals

PubMed Central

Kalikka, Janne; Zhou, Xilin; Dilcher, Eric; Wall, Simon; Li, Ju; Simpson, Robert E.

2016-01-01

Strain engineering is an emerging route for tuning the bandgap, carrier mobility, chemical reactivity and diffusivity of materials. Here we show how strain can be used to control atomic diffusion in van der Waals heterostructures of two-dimensional (2D) crystals. We use strain to increase the diffusivity of Ge and Te atoms that are confined to 5 Å thick 2D planes within an Sb2Te3–GeTe van der Waals superlattice. The number of quintuple Sb2Te3 2D crystal layers dictates the strain in the GeTe layers and consequently its diffusive atomic disordering. By identifying four critical rules for the superlattice configuration we lay the foundation for a generalizable approach to the design of switchable van der Waals heterostructures. As Sb2Te3–GeTe is a topological insulator, we envision these rules enabling methods to control spin and topological properties of materials in reversible and energy efficient ways. PMID:27329563

First-principles study of fission gas incorporation and migration in zirconium nitride

DOE PAGES

Mei, Zhi-Gang; Liang, Linyun; Yacout, Abdellatif M.

2017-03-24

To evaluate the effectiveness of ZrN as a diffusion barrier against fission gases, we investigate in this paper the incorporation and migration of fission gas atoms, with a focus on Xe, in ZrN by first-principles calculations. The formations of point defects in ZrN, including vacancies, interstitials, divacancies, Frenkel pairs, and Schottky defects, are first studied. Among all the defects, the Schottky defect with two vacancies as first nearest neighbor is predicted to be the most favorable incorporation site for fission gas Xe in ZrN. The migration of Xe gas atom in ZrN is investigated through two diffusion mechanisms, i.e., interstitialmore » and vacancy-assisted diffusions. The migration barrier of Xe gas atom through the intrinsic interstitials in ZrN is considerably lower than that through vacancies. Finally, therefore, at low temperatures fission gas Xe atoms diffuse mainly through interstitials in single crystal ZrN, whereas at high temperatures Xe may diffuse in ZrN assisted by vacancies.« less

Possibility of deriving the Hermean surface composition through low energy neutral atom detection

NASA Astrophysics Data System (ADS)

Milillo, A.; Orsini, S.; Massetti, S.; Mura, A.; de Angelis, E.; Lammer, H.; Wurz, P.; di Lellis, A. M.

2003-04-01

The release processes induced by ion sputtering and/or micrometeoroids impacts induces erosion of the Mercury surface. The sputtered neutrals exhibit spectra peaked at low energies (few eV). Nevertheless, a high-energy neutral signal also emerges, due to these release processes. In principle, the directional neutral signal can be detected, providing information on the local surface composition. In this study, we simulate the neutral signal due to ion sputtering below the cusp regions, assuming a highly anisotropic surface composition. The NPA SERENA / ELENA instrument proposed on board the ESA mission BepiColombo is a nadir-pointing 1-D sensor, able to detect neutral atoms, form tens of eV to about 5 keV with a capability of resolving the major species. The ELENA field-of-view (FOV) is ~ 60 degrees, with the FOV plane perpendicular to the MPO orbital plane. Here, we speculate on the possibility of discriminating composition anisotropies by detecting the high-energy portion of the sputtered signal.

Neutral-atom electron binding energies from relaxed-orbital relativistic Hartree-Fock-Slater calculations for Z between 2 and 106

NASA Technical Reports Server (NTRS)

Huang, K.-N.; Aoyagi, M.; Mark, H.; Chen, M. H.; Crasemann, B.

1976-01-01

Electron binding energies in neutral atoms have been calculated relativistically, with the requirement of complete relaxation. Hartree-Fock-Slater wave functions served as zeroth-order eigenfunctions to compute the expectation of the total Hamiltonian. A first-order correction to the local approximation was thus included. Quantum-electrodynamic corrections were made. For all elements with atomic numbers ranging from 2 to 106, the following quantities are listed: total energies, electron kinetic energies, electron-nucleus potential energies, electron-electron potential energies consisting of electrostatic and Breit interaction (magnetic and retardation) terms, and vacuum polarization energies. Binding energies including relaxation are listed for all electrons in all atoms over the indicated range of atomic numbers. A self-energy correction is included for the 1s, 2s, and 2p(1/2) levels. Results for selected atoms are compared with energies calculated by other methods and with experimental values.

Characterization of xenon ion and neutral interactions in a well-characterized experiment

NASA Astrophysics Data System (ADS)

Patino, Marlene I.; Wirz, Richard E.

2018-06-01

Interactions between fast ions and slow neutral atoms are commonly dominated by charge-exchange and momentum-exchange collisions, which are important to understanding and simulating the performance and behavior of many plasma devices. To investigate these interactions, this work developed a simple, well-characterized experiment that accurately measures the behavior of high energy xenon ions incident on a background of xenon neutral atoms. By using well-defined operating conditions and a simple geometry, these results serve as canonical data for the development and validation of plasma models and models of neutral beam sources that need to ensure accurate treatment of angular scattering distributions of charge-exchange and momentum-exchange ions and neutrals. The energies used in this study are relevant for electric propulsion devices ˜1.5 keV and can be used to improve models of ion-neutral interactions in the plume. By comparing these results to both analytical and computational models of ion-neutral interactions, we discovered the importance of (1) accurately treating the differential cross-sections for momentum-exchange and charge-exchange collisions over a large range of neutral background pressures and (2) properly considering commonly overlooked interactions, such as ion-induced electron emission from nearby surfaces and neutral-neutral ionization collisions.

The effect of recombination and attachment on meteor radar diffusion coefficient profiles

NASA Astrophysics Data System (ADS)

Lee, C. S.; Younger, J. P.; Reid, I. M.; Kim, Y. H.; Kim, J.-H.

2013-04-01

Estimates of the ambipolar diffusion coefficient producedusing meteor radar echo decay times display an increasing trend below 80-85 km, which is inconsistent with a diffusion-only theory of the evolution of meteor trails. Data from the 33 MHz meteor radar at King Sejong Station, Antarctica, have been compared with observations from the Aura Earth Observing System Microwave Limb Sounder satellite instrument. It has been found that the height at which the diffusion coefficient gradient reverses follows the height of a constant neutral atmospheric density surface. Numerical simulations of meteor trail diffusion including dissociative recombination with atmospheric ions and three-body attachment of free electrons to neutral molecules indicate that three-body attachment is responsible for the distortion of meteor radar diffusion coefficient profiles at heights below 90 km, including the gradient reversal below 80-85 km. Further investigation has revealed that meteor trails with low initial electron line density produce decay times more consistent with a diffusion-only model of meteor trail evolution.

Detection of Buckminsterfullerene emission in the diffuse interstellar medium.

PubMed

Berné, O; Cox, N L J; Mulas, G; Joblin, C

2017-09-01

Emission of fullerenes in their infrared vibrational bands has been detected in space near hot stars. The proposed attribution of the diffuse interstellar bands at 9577 and 9632 Å to electronic transitions of the buckminsterfullerene cation (i.e. [Formula: see text]) was recently supported by new laboratory data, confirming the presence of this species in the diffuse interstellar medium (ISM). In this letter, we present the detection, also in the diffuse ISM, of the 17.4 and 18.9 μ m emission bands commonly attributed to vibrational bands of neutral C 60 . According to classical models that compute the charge state of large molecules in space, C 60 is expected to be mostly neutral in the diffuse ISM. This is in agreement with the abundances of diffuse C 60 we derive here from observations. We also find that C 60 is less abundant in the diffuse ISM than in star-forming regions, supporting the theory that C 60 can be formed in these regions.

Self-Learning Off-Lattice Kinetic Monte Carlo method as applied to growth on metal surfaces

NASA Astrophysics Data System (ADS)

Trushin, Oleg; Kara, Abdelkader; Rahman, Talat

2007-03-01

We propose a new development in the Self-Learning Kinetic Monte Carlo (SLKMC) method with the goal of improving the accuracy with which atomic mechanisms controlling diffusive processes on metal surfaces may be identified. This is important for diffusion of small clusters (2 - 20 atoms) in which atoms may occupy Off-Lattice positions. Such a procedure is also necessary for consideration of heteroepitaxial growth. The new technique combines an earlier version of SLKMC [1] with the inclusion of off-lattice occupancy. This allows us to include arbitrary positions of adatoms in the modeling and makes the simulations more realistic and reliable. We have tested this new approach for the case of the diffusion of small 2D Cu clusters diffusion on Cu(111) and found good performance and satisfactory agreement with results obtained from previous version of SLKMC. The new method also helped reveal a novel atomic mechanism contributing to cluster migration. We have also applied this method to study the diffusion of Cu clusters on Ag(111), and find that Cu atoms generally prefer to occupy off-lattice sites. [1] O. Trushin, A. Kara, A. Karim, T.S. Rahman Phys. Rev B 2005

Adsorption and diffusion of Au atoms on the (001) surface of Ti, Zr, Hf, V, Nb, Ta, and Mo carbides.

PubMed

Florez, Elizabeth; Viñes, Francesc; Rodriguez, Jose A; Illas, Francesc

2009-06-28

The adsorption of atomic Au on the (001) surface of TiC, ZrC, HfC, VC, NbC, TaC, and delta-MoC and the mechanism of diffusion of this adatom through the surface have been studied in terms of a periodic density functional theory based approach. In all the cases, the Au adsorption energies are in the range of 1.90-2.35 eV. The moderately large adsorption energies allow the Au diffusion before desorption could take place. For TiC(001), ZrC(001), and HfC(001), atomic Au is adsorbed directly on top of C atoms and diffusion takes place along the diagonal of the squares formed by M-C-M-C atoms with the transition state located above the hollow sites. For the rest of transition metal carbides the situation is less simple with the appearance of more than one stable adsorption site, as for NbC and TaC, of a small energy barrier for diffusion around the most stable adsorption site and of a more complex diffusion pathway. The small energy barrier for diffusion around the most stable site will result in a highly mobile Au species which could be observed in scanning tunnel microscope experiments. After depositing Au on metal-carbide surfaces, there is a noticeable charge transfer from the substrate to the adsorbed Au atom. The electronic perturbations on Au increase when going from TiC to ZrC or TaC. Our results indicate that metal carbides should be better supports for the chemical activation of Au than metal oxides.

Study of diffusion and local structure of sodium-silicate liquid: the molecular dynamic simulation

NASA Astrophysics Data System (ADS)

Hung, Pham Khac; Noritake, Fumiya; San, Luyen Thi; Van, To Ba; Vinh, Le The

2017-10-01

A systematic analysis on sodium-silicate melt with various silica contents was carried out. The simulation revealed two diffusion mechanisms occurred in the melt: the bond-breaking and hopping between sites. The local structure was analyzed through T-simplexes. It was revealed that T-clusters have a non-spherical shape and represent the diffusion channel, in which Na atoms are dominant, but no any O atoms are located. The SiO2-poor melt acquires a long channel. In contrast, the SiO2-rich melt consists of unconnected short channels. The simulation also revealed the immobile and mobile regions which differ in local structure and constituent composition. We propose a new CL-function to characterizing the spatial distribution of different atom component. The spatial distribution of mobile and immobile atoms is found quite different. In particular, the immobile atoms are concentrated in high-density regions possessing very large density of immobile atoms. The spatial distribution of mobile atoms in contrast is more homogeneous.

IBEX-lo Sky Maps of Secondary Interstellar Neutrals Helium and Oxygen

NASA Astrophysics Data System (ADS)

Kucharek, H.; Isenberg, P. A.; Jeewoo, P.; Kubiak, M. A.; Bzowski, M.

2017-12-01

There are several populations of heliospheric energetic neutral atoms (ENAs) generated at the various heliospheric interfaces, the inner heliosheath, outer heliosheath (OHS), and the termination shock (TS). Depending on where and how these ENAs are generated, they belong to different energy regimes. While interstellar neutral (ISN) particles flow through the heliospheric boundary is mostly unimpeded, a substantial fraction of ISN H and O is filtered through charge exchange with ambient plasma ions before reaching the TS. Secondary ISN atoms are generated by the charge exchange reaction between primary ISN atoms and interstellar ions in the outer heliosheath, forming walls of H and O in front of the heliopause (HP). The flowing interstellar plasma encounters the heliopause as an obstacle, which deflects the flow. Thus, secondary neutrals measured at 1 AU carry information about the deflected interstellar plasma and the shape of the heliopause that causes the deflection. Due to very different magnitudes of charge exchange cross sections, the main source of the secondary He is charge exchange with the OHS He+, while that of the secondary O is the charge exchange between interstellar O+ and the OHS H. Therefore, the oxygen results are drastically different from those of helium. Interstellar O+ ions behave in principle like the He+ particles with an over-density due to the plasma deceleration. The high density decelerated oxygen ions just upwind of the heliopause encounter an over-density in neutral hydrogen, the hydrogen wall, allowing frequent charge exchange that produce slow neutral oxygen atoms forming the oxygen wall. Thus, the distribution in the sky maps of secondary He and O carries information on the shape as well as the structures in front of it. To investigate the secondary component of the interstellar neutral in detail we have distinguish between the two secondary component's. We engaged theory and simulations for the primary and secondary components to determine differences of between measurements and model predicted data.

A Controlled-Phase Gate via Adiabatic Rydberg Dressing of Neutral Atoms

NASA Astrophysics Data System (ADS)

Keating, Tyler; Deutsch, Ivan; Cook, Robert; Biederman, Grant; Jau, Yuan-Yu

2014-05-01

The dipole blockade effect between Rydberg atoms is a promising tool for quantum information processing in neutral atoms. So far, most efforts to perform a quantum logic gate with this effect have used resonant laser pulses to excite the atoms, which makes the system particularly susceptible to decoherence through thermal motional effects. We explore an alternative scheme in which the atomic ground states are adiabatically ``dressed'' by turning on an off-resonant laser. We analyze the implementation of a CPHASE gate using this mechanism and find that fidelities of >99% should be possible with current technology, owing primarily to the suppression of motional errors. We also discuss how such a scheme could be generalized to perform more complicated, multi-qubit gates; in particular, a simple generalization would allow us to perform a Toffoli gate in a single step.

Negative Differential Conductivity in an Interacting Quantum Gas.

PubMed

Labouvie, Ralf; Santra, Bodhaditya; Heun, Simon; Wimberger, Sandro; Ott, Herwig

2015-07-31

We report on the observation of negative differential conductivity (NDC) in a quantum transport device for neutral atoms employing a multimode tunneling junction. The system is realized with a Bose-Einstein condensate loaded in a one-dimensional optical lattice with high site occupancy. We induce an initial difference in chemical potential at one site by local atom removal. The ensuing transport dynamics are governed by the interplay between the tunneling coupling, the interaction energy, and intrinsic collisions, which turn the coherent coupling into a hopping process. The resulting current-voltage characteristics exhibit NDC, for which we identify atom number-dependent tunneling as a new microscopic mechanism. Our study opens new ways for the future implementation and control of complex neutral atom quantum circuits.

DESTRUCTION OF NEUTRAL PARTICLES IN A DEVICE FOR PRODUCING A HIGH DENSITY PLASMA

DOEpatents

Simon, A.

1962-05-01

A method and apparatus are described for burning out neutral particles in an evacuated region and within a strong magnetic field. The method comprises injecting energetic molecular ions into the region perpendicular to the magnetic field and into the path of a dissociating, energetic arc discharge, the atomic ions formed in the dissociating process being trapped by the magnetic field, and then increasing the value of the trapped atomic ion current to such a value that the neutral particles are destroyed faster than they are formed, thereby causing a dense, energetic plasma to be built up and sustained by the magnetic field. (AEC)

The albedo and scattering phase function of interstellar dust and the diffuse background at far-ultraviolet wavelengths.

PubMed

Hurwitz, M; Bowyer, S; Martin, C

1991-05-01

We have determined the scattering parameters of dust in the interstellar medium at far-ultraviolet (FUV) wavelengths (1415-1835 angstroms). Our results are based on spectra of the diffuse background taken with the Berkeley UVX spectrometer. The unique design of this instrument makes possible for the first time accurate determination of the background both at high Galactic latitude, where the signal is intrinsically faint, and at low Galactic latitude, where direct starlight has heretofore compromised measurements of the diffuse emission. Because the data are spectroscopic, the continuum can be distinguished from the atomic and molecular transition features which also contribute to the background. We find the continuum intensity to be well correlated with the Galactic neutral hydrogen column density until saturation at about 1200 photons cm-2 s-1 sr-1 angstrom-1 is reached where tau FUV approximately 1. Our measurement of the intensity where tau FUV > or = 1 is crucial to the determination of the scattering properties of the grains. We interpret the data with a detailed radiative transfer model and conclude that the FUV albedo of the grains is low (<25%) and that the grains scatter fairly isotropically. We evaluate models of dust composition and grain-size distribution and compare their predictions with these new results. We present evidence that, as the Galactic neutral hydrogen column density approaches zero, the FUV continuum background arises primarily from scattering by dust, which implies that dust may be present in virtually all view directions. A non-dust-scattering continuum component has also been identified, with an intensity (external to the foreground Galactic dust) of about 115 photons cm-2 s-1 angstrom-1. With about half this intensity accounted for by two-photon emission from Galactic ionized gas, we identify roughly 50 photons cm-2 s-1 sr-1 angstrom-1 as a true extragalactic component.

Irradiation-induced Ag nanocluster nucleation in silicate glasses: Analogy with photography

DOE Office of Scientific and Technical Information (OSTI.GOV)

Espiau de Lamaestre, R.; Fontainebleau Research Center, Corning SA, 77210 Avon; Bea, H.

2007-11-15

The synthesis of Ag nanoclusters in soda lime silicate glasses and silica was studied by optical absorption and electron spin resonance experiments under both low (gamma ray) and high (MeV ion) deposited energy density irradiation conditions. Both types of irradiation create electrons and holes whose density and thermal evolution--notably via their interaction with defects--are shown to determine the clustering and growth rates of Ag nanocrystals. We thus establish the influence of redox interactions of defects and silver (poly)ions. The mechanisms are similar to the latent image formation in photography: Irradiation-induced photoelectrons are trapped within the glass matrix, notably on dissolvedmore » noble metal ions and defects, which are thus neutralized (reverse oxidation reactions are also shown to exist). Annealing promotes metal atom diffusion, which, in turn, leads to cluster nuclei formation. The cluster density depends not only on the irradiation fluence but also--and primarily--on the density of deposited energy and the redox properties of the glass. Ion irradiation (i.e., large deposited energy density) is far more effective in cluster formation, despite its lower neutralization efficiency (from Ag{sup +} to Ag{sup 0}) as compared to gamma photon irradiation.« less

The Basics of Electric Weapons and Pulsed-Power Technologies

DTIC Science & Technology

2012-01-01

launchers. DEWs send energy, instead of matter, toward a target, and can be separated into three types: laser weapons, particle -beam weapons, and high...beam’s energy de- position, target material, and flight dynamics is needed. Particle Beams A particle -beam weapon is a directed flow of atomic or sub...atomic particles . These parti- cles can be neutral or electrically charged. Neutral beams need to be used outside the atmosphere (in space), where

Two wide-angle imaging neutral-atom spectrometers (TWINS)

DOE Office of Scientific and Technical Information (OSTI.GOV)

McComas, D.J.; Blake, B.; Burch, J.

1998-11-01

Two Wide-angle Imaging Neutral-atom Spectrometers (TWINS) is a revolutionary new mission designed to stereoscopically image the magnetosphere in charge exchange neutral atoms for the first time. The authors propose to fly two identical TWINS instruments as a mission of opportunity on two widely-spaced high-altitude, high-inclination US Government spacecraft. Because the spacecraft are funded independently, TWINS can provide a vast quantity of high priority science observations (as identified in an ongoing new missions concept study and the Sun-Earth Connections Roadmap) at a small fraction of the cost of a dedicated mission. Because stereo observations of the near-Earth space environs will providemore » a particularly graphic means for visualizing the magnetosphere in action, and because of the dedication and commitment of the investigator team to the principles of carrying space science to the broader audience, TWINS will also be an outstanding tool for public education and outreach.« less

A New Instrument Design for Imaging Low Energy Neutral Atoms

NASA Technical Reports Server (NTRS)

Keller, John W.; Collier, Michael R.; Chornay, Dennis; Rozmarynowski, Paul; Getty, Stephanie; Cooper, John F.; Smith, Billy

2007-01-01

The MidSTAR-2 satellite, to be built at the US Naval Academy as a follow-on to the successful MidSTAR-1 satellite (http://web.ew.usna.edu/midstar/), will launch in 2011 and carry three Goddard Space Flight Center (GSFC) experiments developed under Goddard's Internal Research and Development (IRAD) program. One of these GSFC instruments, the Miniature Imager for Neutral Ionospheric atoms and Magnetospheric Electrons (MINI-ME) builds on the heritage of the Goddard-developed Low-Energy Neutral Atom (LENA) imager launched on the IMAGE spacecraft in 2000. MINI-ME features a Venetian-blind conversion surface assembly that improves both light rejection and conversion efficiency in a smaller and lighter package than LENA making this an highly effective instrument for viewing solar wind charge exchange with terrestrial and planetary exospheres. We will describe the MINI-ME prototyping effort and its science targets.

Ab initio calculation of diffusion barriers for Cu adatom hopping on Cu(1 0 0) surface and evolution of atomic configurations

NASA Astrophysics Data System (ADS)

Zhang, Wei; Gan, Jie; Li, Qian; Gao, Kun; Sun, Jian; Xu, Ning; Ying, Zhifeng; Wu, Jiada

2011-06-01

The self-diffusion dynamics of Cu adatoms on Cu(1 0 0) surface has been studied based on the calculation of the energy barriers for various hopping events using lattice-gas based approach and a modified model. To simplify the description of the interactions and the calculation of the energy barrier, a three-tier hierarchy of description of atomic configurations was conceived in which the active adatom and its nearest atoms were chosen to constitute basic configuration and taken as a whole to study many-body interactions of the atoms in various atomic configurations, whereas the impacts of the next nearest atoms on the diffusion of the active adatom were considered as multi-site interactions. Besides the simple hopping of single adatoms, the movements of dimers and trimers as the results of multiple hopping events have also been examined. Taking into account the hopping events of all adatoms, the stability of atomic configurations has been examined and the evolution of atomic configurations has also been analyzed.

The latent fingerprint in mass transport of polycrystalline materials

NASA Astrophysics Data System (ADS)

Thirunavukarasu, Gopinath; Kundu, Sukumar; Chatterjee, Subrata

2016-02-01

Herein, a systematic investigation was carried out to reach a rational understanding and to provide information concerning the possible causes for a significant influence of pressure variation in the underlying processes of mass transport in polycrystalline materials. The authors focused their research in solid-state diffusion, a part of the subject "Mass Transport in Solids". Theories on diffusion are the subject by itself which exists as a latent fingerprint in every text of higher learning in interdisciplinary science. In this research, authors prepared sandwich samples of titanium alloy and stainless steel using nickel as an intermediate metal. The samples were processed at three different levels of bonding pressure (3, 4 and 5 MPa) while bonding temperature and bonding time was maintained at 750 °C and 1 h, respectively, throughout the experiments. It was observed that the net flux of atomic diffusion of nickel atoms into Ti-alloy at TiA/Ni interface increased by ~63 % with the rise in the bonding pressure from 3 to 4 MPa, but decreased by ~40 % with the rise in the bonding pressure from 4 to 5 MPa. At the same time, the net flux of atomic diffusion of nickel atoms into stainless steel at Ni/SS interface increased by ~19 % with the rise in the bonding pressure from 3 to 4 MPa, but increased by ~17 % with the rise in the bonding pressure from 4 to 5 MPa. Here authors showed that the pressure variations have different effects at the TiA/Ni interface and Ni/SS interface, and tried to explain the explicit mechanisms operating behind them. In general for sandwich samples processed irrespective of bonding pressure chosen, the net flux of Ni-atoms diffused into SS is greater than that of the net flux of Ni-atoms diffused in Ti-alloy matrix by four orders of magnitude. The calculated diffusivity of Ni-atoms into Ti-alloy reaches its highest value of ~5.083 × 10-19 m2/s for the sandwich sample processed using 4-MPa bonding-pressure, whereas the diffusivity of Ni-atoms into SS reaches its peak value of ~1.615 × 10-14 m2/s for the sample bonded using 5-MPa bonding-pressure.

Ge auto-doping and out-diffusion in InGaP grown on Ge substrate and their effects on the ordering of InGaP

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, Hong-Ming; Ho, Hao-I; Tsai, Shi-Jane

2016-03-21

We report on the Ge auto-doping and out-diffusion in InGaP epilayer with Cu-Pt ordering grown on 4-in. Ge substrate. Ge profiles determined from secondary ion mass spectrometry indicate that the Ge out-diffusion depth is within 100 nm. However, the edge of the wafer suffers from stronger Ge gas-phase auto-doping than the center, leading to ordering deterioration in the InGaP epilayer. In the edge, we observed a residual Cu-Pt ordering layer left beneath the surface, suggesting that the ordering deterioration takes place after the deposition rather than during the deposition and In/Ga inter-diffusion enhanced by Ge vapor-phase auto-doping is responsible for themore » deterioration. We thus propose a di-vacancy diffusion model, in which the amphoteric Ge increases the di-vacancy density, resulting in a Ge density dependent diffusion. In the model, the In/Ga inter-diffusion and Ge out-diffusion are realized by the random hopping of In/Ga host atoms and Ge atoms to di-vacancies, respectively. Simulation based on this model well fits the Ge out-diffusion profiles, suggesting its validity. By comparing the Ge diffusion coefficient obtained from the fitting and the characteristic time constant of ordering deterioration estimated from the residual ordering layer, we found that the hopping rates of Ge and the host atoms are in the same order of magnitude, indicating that di-vacancies are bound in the vicinity of Ge atoms.« less

An apparatus for immersing trapped ions into an ultracold gas of neutral atoms

NASA Astrophysics Data System (ADS)

Schmid, Stefan; Härter, Arne; Frisch, Albert; Hoinka, Sascha; Denschlag, Johannes Hecker

2012-05-01

We describe a hybrid vacuum system in which a single ion or a well-defined small number of trapped ions (in our case Ba+ or Rb+) can be immersed into a cloud of ultracold neutral atoms (in our case Rb). This apparatus allows for the study of collisions and interactions between atoms and ions in the ultracold regime. Our setup is a combination of a Bose-Einstein condensation apparatus and a linear Paul trap. The main design feature of the apparatus is to first separate the production locations for the ion and the ultracold atoms and then to bring the two species together. This scheme has advantages in terms of stability and available access to the region where the atom-ion collision experiments are carried out. The ion and the atoms are brought together using a moving one-dimensional optical lattice transport which vertically lifts the atomic sample over a distance of 30 cm from its production chamber into the center of the Paul trap in another chamber. We present techniques to detect and control the relative position between the ion and the atom cloud.

BepiColombo Serena/ELENA instrument:development and testing

NASA Astrophysics Data System (ADS)

Orsini, S.; De Angelis, E.; Selci, S.; Di Lellis, A. M.:; Leoni, R.; Rispoli, R.; Colasanti, L.; Vertolli, N.; Scheer, J.; Mura, A.; Milillo, A.; Wurz, P.; D'Alessandro, M.; Maschietti, D.; Mattioli, F.; Cibella, S.; Brienza, D.; lo Spazio, Compagnia Generale per

2012-04-01

ELENA is a TOF sensor, based on a novel concept ultra-sonic oscillating shutter (Start section) which is operated at frequencies up to 50 kHz; a MCP detector is used as a Stop section. It is aimed to detect neutral atoms in the range 10 eV - 5 keV, within 70° FOV, perpendicular to the S/C orbital plane. ELENA will monitor the emission of neutral atoms from the whole surface of Mercury thanks to the spacecraft motion. The major scientific objectives are the interaction between the environment and the planet, the global particle loss-rate and the remote sensing of the surface properties. In particular, surface release processes are investigated by identifying particles release from the surface, via solar wind-induced ion sputtering (<1eV - >100 eV) as well as Hydrogen back-scattered at hundreds eV. In particular, the capability to detect non-thermal low energy neutral species is crucial for the sensor ELENA (Emitted Low-Energy Neutral Atoms), part of the package SERENA (Search for Exospheric Refilling and Emitted Natural Abundances) on board the BepiColombo mission to Mercury to be launched in 2014. The instrument is now validated and tested to reach its performances: the up-graded shutter system (Start section) has been operated for the first time with neutral atom beam and tested at high frequency, the Stop section has been calibrated investigating the region of very low energy detection efficiency, the electronics boards and the entire acquisition chain has been appointed and tested with ion beam. The first results of all the ELENA capability will be presented.

Effect of Static Strains on Diffusion

NASA Technical Reports Server (NTRS)

Girifalco, L. A.; Grimes, H. H.

1961-01-01

A theory is developed that gives the diffusion coefficient in strained systems as an exponential function of the strain. This theory starts with the statistical theory of the atomic jump frequency as developed by Vineyard. The parameter determining the effect of strain on diffusion is related to the changes in the inter-atomic forces with strain. Comparison of the theory with published experimental results for the effect of pressure on diffusion shows that the experiments agree with the form of the theoretical equation in all cases within experimental error.

Semi-analytical study of the tokamak pedestal density profile in a single-null diverted plasma with puffing-recycling gas sources

NASA Astrophysics Data System (ADS)

Shi, Bingren

2010-10-01

The tokamak pedestal density structure is generally studied using a diffusion-dominant model. Recent investigations (Stacey and Groebner 2009 Phys. Plasmas 16 102504) from first principle based physics have shown a plausible existence of large inward convection in the pedestal region. The diffusion-convection equation with rapidly varying convection and diffusion coefficients in the near edge region and model puffing-recycling neutral particles is studied in this paper. A peculiar property of its solution for the existence of the large convection case is that the pedestal width of the density profile, qualitatively different from the diffusion-dominant case, depends mainly on the width of the inward convection and only weakly on the neutral penetration length and its injection position.

Atomic oxygen beam source for erosion simulation

NASA Technical Reports Server (NTRS)

Cuthbertson, J. W.; Langer, W. D.; Motley, R. W.; Vaughn, J. A.

1991-01-01

A device for the production of low energy (3 to 10 eV) neutral atomic beams for surface modification studies is described that reproduces the flux of atomic oxygen in low Earth orbit. The beam is produced by the acceleration of plasma ions onto a negatively biased plate of high-Z metal; the ions are neutralized and reflected by the surface, retaining some fraction of their incident kinetic energy, forming a beam of atoms. The plasma is generated by a coaxial RF exciter which produces a magnetically-confined (4 kG) plasma column. At the end of the column, ions fall through the sheath to the plate, whose bias relative to the plasma can be varied to adjust the beam energy. The source provides a neutral flux approximately equal to 5 x 10(exp 16)/sq cm at a distance of 9 cm and a fluence approximately equal to 10(exp 20)/sq cm in five hours. The composition and energy of inert gas beams was diagnosed using a mass spectometer/energy analyzer. The energy spectra of the beams demonstrate energies in the range 5 to 15 eV, and qualitatively show expected dependences upon incident and reflecting atom species and potential drop. Samples of carbon film, carbon-based paint, Kapton, mylar, and teflon exposed to atomic O beams show erosion quite similar to that observed in orbit on the space shuttle.

Fast resolution change in neutral helium atom microscopy

NASA Astrophysics Data System (ADS)

Flatabø, R.; Eder, S. D.; Ravn, A. K.; Samelin, B.; Greve, M. M.; Reisinger, T.; Holst, B.

2018-05-01

In neutral helium atom microscopy, a beam of atoms is scanned across a surface. Though still in its infancy, neutral helium microscopy has seen a rapid development over the last few years. The inertness and low energy of the helium atoms (less than 0.1 eV) combined with a very large depth of field and the fact that the helium atoms do not penetrate any solid material at low energies open the possibility for a non-destructive instrument that can measure topology on the nanoscale even on fragile and insulating surfaces. The resolution is determined by the beam spot size on the sample. Fast resolution change is an attractive property of a microscope because it allows different aspects of a sample to be investigated and makes it easier to identify specific features. However up till now it has not been possible to change the resolution of a helium microscope without breaking the vacuum and changing parts of the atom source. Here we present a modified source design, which allows fast, step wise resolution change. The basic design idea is to insert a moveable holder with a series of collimating apertures in front of the source, thus changing the effective source size of the beam and thereby the spot size on the surface and thus the microscope resolution. We demonstrate a design with 3 resolution steps. The number of resolution steps can easily be extended.

Effect of component substitution on the atomic dynamics in glass-forming binary metallic melts

NASA Astrophysics Data System (ADS)

Nowak, B.; Holland-Moritz, D.; Yang, F.; Voigtmann, Th.; Evenson, Z.; Hansen, T. C.; Meyer, A.

2017-08-01

We investigate the substitution of early transition metals (Zr, Hf, and Nb) in Ni-based binary glass-forming metallic melts and the impact on structural and dynamical properties by using a combination of neutron scattering, electrostatic levitation (ESL), and isotopic substitution. The self-diffusion coefficients measured by quasielastic neutron scattering (QENS) identify a sluggish diffusion as well as an increased activation energy by almost a factor of 2 for Hf35Ni65 compared to Zr36Ni64 . This finding can be explained by the locally higher packing density of Hf atoms in Hf35Ni65 compared to Zr atoms in Zr36Ni64 , which has been derived from interatomic distances by analyzing the measured partial structure factors. Furthermore, QENS measurements of liquid Hf35Ni65 prepared with 60Ni , which has a vanishing incoherent scattering cross section, have demonstrated that self-diffusion of Hf is slowed down compared to the concentration weighted self-diffusion of Hf and Ni. This implies a dynamical decoupling between larger Hf and smaller Ni atoms, which can be related to a saturation effect of unequal atomic nearest-neighbor pairs, that was observed recently for Ni-rich compositions in Zr-Ni metallic melts. In order to establish a structure-dynamics relation, measured partial structure factors have been used as an input for mode-coupling theory (MCT) of the glass transition to calculate self-diffusion coefficients for the different atomic components. Remarkably, MCT can reproduce the increased activation energy for Hf35Ni65 as well as the dynamical decoupling between Hf and Ni atoms.

Laser-Free Cold-Atom Gymnastics

NASA Astrophysics Data System (ADS)

Gould, Harvey; Feinberg, Benedict; Munger, Charles T., Jr.; Nishimura, Hiroshi

2017-01-01

We have performed beam transport simulations on ultra cold (2 μK) and cold (130 μK) neutral Cs atoms in the F = M = + 4 (magnetic weak-field seeking) ground state. We use inhomogeneous magnetic fields to focus and accelerate the atoms. Acceleration of neutral atoms by an inhomogeneous magnetic field was demonstrated by Stern and Gerlach in 1922. In the simulations, a two mm diameter cloud of atoms is released to fall under gravity. A magnetic coil focuses the falling atoms. After falling 41 cm, the atoms are reflected in the magnetic fringe field of a solenoid. They return to their starting height, about 0.7 s later, having passed a second time through the focusing coil. The simulations show that > 98 % of ultra cold Cs atoms and > 70 % of cold Cs atoms will survive at least 15 round trips (assuming perfect vacuum). More than 100 simulations were run to optimize coil currents and focusing coil diameter and height. Simulations also show that atoms can be launched into a fountain. An experimental apparatus to test the simulations, is being constructed. This technique may find application in atomic fountain clocks, interferometers, and gravitometers, and may be adaptable for use in microgravity. It may also work with Bose-Einstein condensates of paramagnetic atoms.

Measurements of neutral helium density in helicon plasmas.

PubMed

Houshmandyar, Saeid; Sears, Stephanie H; Thakur, Saikat Chakraborty; Carr, Jerry; Galante, Matthew E; Scime, Earl E

2010-10-01

Laser-induced-fluorescence (LIF) is used to measure the density of helium atoms in a helicon plasma source. For a pump wavelength of 587.725 nm (vacuum) and laser injection along the magnetic field, the LIF signal exhibits a signal decrease at the Doppler shifted central wavelength. The drop in signal results from the finite optical depth of the plasma and the magnitude of the decrease is proportional to the density of excited state neutral atoms. Using Langmuir probe measurements of plasma density and electron temperature and a collisional-radiative model, the absolute ground state neutral density is calculated from the optical depth measurements. Optimal plasma performance, i.e., the largest neutral depletion on the axis of the system, is observed for antenna frequencies of 13.0 and 13.5 MHz and magnetic field strengths of 550-600 G.

What We've Learned from IBEX ENA Imaging of the Heliosheath

NASA Astrophysics Data System (ADS)

Zirnstein, E.

2017-12-01

The Interstellar Boundary Explorer (IBEX) is an Earth-orbiting spacecraft equipped with two single-pixel cameras that detect neutral atoms produced by the interaction of the solar wind (SW) with the very local interstellar medium (VLISM), as well as neutral atoms flowing in from the VLISM itself. Since its launch in 2009, IBEX has provided us with over half a solar cycle of measurements of energetic neutral atom (ENA) fluxes produced in the heliosphere. In particular, a large number of these ENAs originate in the inner heliosheath, a region of nearly incompressible SW plasma that is slowed, compressed, and heated at the termination shock. As the heated SW plasma flows through the heliosheath and down the heliotail, charge-exchange with cold neutral atoms from the VLISM generates ENAs that travel on ballistic trajectories. Some of these ENAs travel to Earth and are detected by IBEX. IBEX all-sky observations of these ENAs show a unique energy and spatial dependence, revealing the structural and plasma properties of the heliosheath. One of the prime scientific objectives of the Interstellar Mapping and Acceleration Probe (IMAP) mission is to understand the SW-VLISM interaction, including the properties of the heliosheath and heliotail. This talk will review key IBEX observations of the inner heliosheath environment, the way they have shaped our understanding of the SW-VLISM interaction, and their implications for the upcoming IMAP mission.

Seeking to Improve Low Energy Neutral Atom Detection in Space

NASA Technical Reports Server (NTRS)

Shappirio, M.; Coplan, M.; Chornay, D.; Collier, M.; Herrero, F.; Ogilvie, K.; Williams, E.

2007-01-01

The detection of energetic neutral atoms allows for the remote examination of the interactions between plasmas and neutral populations in space. Before these neutral atoms can be measured, they must first be converted to ions. For the low energy end of this spectrum, interaction with a conversion surface is often the most efficient method to convert neutrals into ions. It is generally thought that the most efficient surfaces are low work functions materials. However, by their very nature, these surfaces are highly reactive and unstable, and therefore are not suitable for space missions where conditions cannot be controlled as they are in a laboratory. We therefore are looking to optimize a stable surface for conversion efficiency. Conversion efficiency can be increased either by changing the incident angle of the neutral particles to be grazing incidence and using stable surfaces with high conversion efficiencies. We have examined how to increase the angle of incidence from -80 degrees to -89 degrees, while maintaining or improving the total active conversion surface area without increasing the overall volume of the instrument. We are developing a method to micro-machine silicon, which will reduce the volume to surface area ratio by a factor of 60. We have also examined the material properties that affect the conversion efficiency of the surface for stable surfaces. Some of the parameters we have examined are work function, smoothness, and bond structure. We find that for stable surfaces, the most important property is the smoothness of the surface.

Light desorption from an yttrium neutralizer for Rb and Fr magneto-optical trap loading

DOE Office of Scientific and Technical Information (OSTI.GOV)

Coppolaro, V.; Papi, N.; Khanbekyan, A.

2014-10-07

We present here the first evidence of photodesorption induced by low-intensity non-resonant light from an yttrium thin foil, which works as a neutralizer for Rb and Fr ions beam. Neutral atoms are suddenly ejected from the metal surface in a pulsed regime upon illumination with a broadband flash light and then released in the free volume of a pyrex cells. Here atoms are captured by a Magneto-Optical Trap (MOT), which is effectively loaded by the photodesorption. Loading times of the order of the flash rise time are measured. Desorption is also obtained in the continuous regime, by exploiting CW visiblemore » illumination of the metallic neutralizer surface. We demonstrate that at lower CW light intensities vacuum conditions are not perturbed by the photodesorption and hence the MOT dynamics remains unaffected, while the trap population increases thanks to the incoming desorbed atoms flux. Even with the Y foil at room temperature and hence with no trapped atoms, upon visible illumination, the number of trapped atoms reaches 10{sup 5}. The experimental data are then analyzed by means of an analytical rate equation model, which allows the analysis of this phenomenon and its dynamics and allows the determination of critical experimental parameters and the test of the procedure in the framework of radioactive Francium trapping. In this view, together with an extensive investigation of the phenomenon with {sup 85}Rb, the first demonstration of the photodesorption-aided loading of a {sup 210}Fr MOT is shown.« less

Atoms in carbon cages as a source of interstellar diffuse lines

NASA Technical Reports Server (NTRS)

Ballester, J. L.; Antoniewicz, P. R.; Smoluchowski, R.

1990-01-01

A model to describe the resonance absorption lines of various atoms trapped in closed carbon cages is presented. These systems may be responsible for some of the as yet unexplained diffuse interstellar bands. Model potentials for possible atom-C60 systems are obtained and used to calculate the resonance lines. The trapped atoms considered are O, N, Si, Mg, Al, Na, and S, and in all cases the resonance lines are shifted toward the red as compared to the isolated atoms. The calculated wavelengths are compared to the range of wavelengths observed for the diffuse interstellar bands, and good agreement is found for Mg and Si resonance lines. Other lines may be caused by other than resonance transitions or by trapped molecules. The oscillator strengths and the abundances are evaluated and compared with observation. Mechanisms to explain the observed band width of the lines and the existence of certain correlated pairs of lines are discussed.

Two-Photon Laser-Induced Fluorescence O and N Atoms for the Study of Heterogeneous Catalysis in a Diffusion Reactor

NASA Technical Reports Server (NTRS)

Pallix, Joan B.; Copeland, Richard A.; Arnold, James O. (Technical Monitor)

1995-01-01

Advanced laser-based diagnostics have been developed to examine catalytic effects and atom/surface interactions on thermal protection materials. This study establishes the feasibility of using laser-induced fluorescence for detection of O and N atom loss in a diffusion tube to measure surface catalytic activity. The experimental apparatus is versatile in that it allows fluorescence detection to be used for measuring species selective recombination coefficients as well as diffusion tube and microwave discharge diagnostics. Many of the potential sources of error in measuring atom recombination coefficients by this method have been identified and taken into account. These include scattered light, detector saturation, sample surface cleanliness, reactor design, gas pressure and composition, and selectivity of the laser probe. Recombination coefficients and their associated errors are reported for N and O atoms on a quartz surface at room temperature.

Superfluid qubit systems with ring shaped optical lattices

PubMed Central

Amico, Luigi; Aghamalyan, Davit; Auksztol, Filip; Crepaz, Herbert; Dumke, Rainer; Kwek, Leong Chuan

2014-01-01

We study an experimentally feasible qubit system employing neutral atomic currents. Our system is based on bosonic cold atoms trapped in ring-shaped optical lattice potentials. The lattice makes the system strictly one dimensional and it provides the infrastructure to realize a tunable ring-ring interaction. Our implementation combines the low decoherence rates of neutral cold atoms systems, overcoming single site addressing, with the robustness of topologically protected solid state Josephson flux qubits. Characteristic fluctuations in the magnetic fields affecting Josephson junction based flux qubits are expected to be minimized employing neutral atoms as flux carriers. By breaking the Galilean invariance we demonstrate how atomic currents through the lattice provide an implementation of a qubit. This is realized either by artificially creating a phase slip in a single ring, or by tunnel coupling of two homogeneous ring lattices. The single qubit infrastructure is experimentally investigated with tailored optical potentials. Indeed, we have experimentally realized scaled ring-lattice potentials that could host, in principle, n ~ 10 of such ring-qubits, arranged in a stack configuration, along the laser beam propagation axis. An experimentally viable scheme of the two-ring-qubit is discussed, as well. Based on our analysis, we provide protocols to initialize, address, and read-out the qubit. PMID:24599096

Study of Li atom diffusion in amorphous Li3PO4 with neural network potential

NASA Astrophysics Data System (ADS)

Li, Wenwen; Ando, Yasunobu; Minamitani, Emi; Watanabe, Satoshi

2017-12-01

To clarify atomic diffusion in amorphous materials, which is important in novel information and energy devices, theoretical methods having both reliability and computational speed are eagerly anticipated. In the present study, we applied neural network (NN) potentials, a recently developed machine learning technique, to the study of atom diffusion in amorphous materials, using Li3PO4 as a benchmark material. The NN potential was used together with the nudged elastic band, kinetic Monte Carlo, and molecular dynamics methods to characterize Li vacancy diffusion behavior in the amorphous Li3PO4 model. By comparing these results with corresponding DFT calculations, we found that the average error of the NN potential is 0.048 eV in calculating energy barriers of diffusion paths, and 0.041 eV in diffusion activation energy. Moreover, the diffusion coefficients obtained from molecular dynamics are always consistent with those from ab initio molecular dynamics simulation, while the computation speed of the NN potential is 3-4 orders of magnitude faster than DFT. Lastly, the structure of amorphous Li3PO4 and the ion transport properties in it were studied with the NN potential using a large supercell model containing more than 1000 atoms. The formation of P2O7 units was observed, which is consistent with the experimental characterization. The Li diffusion activation energy was estimated to be 0.55 eV, which agrees well with the experimental measurements.

The influence of current neutralization and multiple Coulomb scattering on the spatial dynamics of resistive sausage instability of a relativistic electron beam propagating in ohmic plasma

NASA Astrophysics Data System (ADS)

Kolesnikov, E. K.; Manuilov, A. S.; Petrov, V. S.; Klyushnikov, G. N.; Chernov, S. V.

2017-06-01

The influence of the current neutralization process, the phase mixing of the trajectories of electrons and multiple Coulomb scattering of electrons beam on the atoms of the background medium on the spatial increment of the growth of sausage instability of a relativistic electron beam propagating in ohmic plasma channel has been considered. It has been shown that the amplification of the current neutralization leads to a significant increase in this instability, and phase mixing and the process of multiple scattering of electrons beam on the atoms of the background medium are the stabilizing factor.

Compact, accurate description of diagnostic neutral beam propagation and attenuation in a high temperature plasma for charge exchange recombination spectroscopy analysis.

PubMed

Bespamyatnov, Igor O; Rowan, William L; Granetz, Robert S

2008-10-01

Charge exchange recombination spectroscopy on Alcator C-Mod relies on the use of the diagnostic neutral beam injector as a source of neutral particles which penetrate deep into the plasma. It employs the emission resulting from the interaction of the beam atoms with fully ionized impurity ions. To interpret the emission from a given point in the plasma as the density of emitting impurity ions, the density of beam atoms must be known. Here, an analysis of beam propagation is described which yields the beam density profile throughout the beam trajectory from the neutral beam injector to the core of the plasma. The analysis includes the effects of beam formation, attenuation in the neutral gas surrounding the plasma, and attenuation in the plasma. In the course of this work, a numerical simulation and an analytical approximation for beam divergence are developed. The description is made sufficiently compact to yield accurate results in a time consistent with between-shot analysis.

Catalytic activity of Pd-doped Cu nanoparticles for hydrogenation as a single-atom-alloy catalyst.

PubMed

Cao, Xinrui; Fu, Qiang; Luo, Yi

2014-05-14

The single atom alloy of extended surfaces is known to provide remarkably enhanced catalytic performance toward heterogeneous hydrogenation. Here we demonstrate from first principles calculations that this approach can be extended to nanostructures, such as bimetallic nanoparticles. The catalytic properties of the single-Pd-doped Cu55 nanoparticles have been systemically examined for H2 dissociation as well as H atom adsorption and diffusion, following the concept of single atom alloy. It is found that doping a single Pd atom at the edge site of the Cu55 shell can considerably reduce the activation energy of H2 dissociation, while the single Pd atom doped at the top site or in the inner layers is much less effective. The H atom adsorption on Cu55 is slightly stronger than that on the Cu(111) surface; however, a larger nanoparticle that contains 147 atoms could effectively recover the weak binding of the H atoms. We have also investigated the H atom diffusion on the 55-atom nanoparticle and found that spillover of the produced H atoms could be a feasible process due to the low diffusion barriers. Our results have demonstrated that facile H2 dissociation and weak H atom adsorption could be combined at the nanoscale. Moreover, the effects of doping one more Pd atom on the H2 dissociation and H atom adsorption have also been investigated. We have found that both the doping Pd atoms in the most stable configuration could independently exhibit their catalytic activity, behaving as two single-atom-alloy catalysts.

Diffusion and surface alloying of gradient nanostructured metals

PubMed Central

Lu, Ke

2017-01-01

Gradient nanostructures (GNSs) have been optimized in recent years for desired performance. The diffusion behavior in GNS metals is crucial for understanding the diffusion mechanism and relative characteristics of different interfaces that provide fundamental understanding for advancing the traditional surface alloying processes. In this paper, atomic diffusion, reactive diffusion, and surface alloying processes are reviewed for various metals with a preformed GNS surface layer. We emphasize the promoted atomic diffusion and reactive diffusion in the GNS surface layer that are related to a higher interfacial energy state with respect to those in relaxed coarse-grained samples. Accordingly, different surface alloying processes, such as nitriding and chromizing, have been modified significantly, and some diffusion-related properties have been enhanced. Finally, the perspectives on current research in this field are discussed. PMID:28382244

Stabilization of very rare tautomers of uracil by an excess electron.

PubMed

Bachorz, Rafał A; Rak, Janusz; Gutowski, Maciej

2005-05-21

We characterized valence-type and dipole-bound anionic states of uracil using various electronic structure methods. We found that the most stable anion is related to neither the canonical 2,4-dioxo nor a rare imino-hydroxy tautomer. Instead, it is related to an imino-oxo tautomer, in which the N1H proton is transferred to the C5 atom. This valence anion is characterized by an electron vertical detachment energy (VDE) of 1267 meV and it is adiabatically stable with respect to the canonical neutral by 3.93 kcal mol(-1). It is also more stable by 2.32 and 5.10 kcal mol(-1) than the dipole-bound and valence anion, respectively, of the canonical tautomer. The VDE values for the former and the latter are 73 and 506 meV, respectively. Another, anionic, low-lying imino-oxo tautomer with a VDE of 2499 meV has a proton transferred from N3H to C5. It is less stable than the neutral canonical tautomer by 1.38 kcal mol(-1). The mechanism of formation of anionic tautomers with the carbon C5 protonated may involve intermolecular proton transfer or dissociative electron attachment to the canonical neutral tautomer followed by a barrier-free attachment of a hydrogen atom to C5. The six-member ring structure of anionic tautomers with carbon atoms protonated might be unstable upon an excess electron detachment. Indeed, the neutral systems resulting from electron detachment from anionic tautomers with carbon atoms protonated evolve along barrier-free decomposition pathways to a linear or a bicyclo structure, which might be viewed as lesions to RNA. Within the PCM hydration model, the low-lying valence anions become adiabatically bound with respect to the canonical neutral and the two most stable tautomers have carbon atoms protonated.

Molecular Dynamics Simulations of Grain Boundary and Bulk Diffusion in Metals.

NASA Astrophysics Data System (ADS)

Plimpton, Steven James

Diffusion is a microscopic mass transport mechanism that underlies many important macroscopic phenomena affecting the structural, electrical, and mechanical properties of metals. This thesis presents results from atomistic simulation studies of diffusion both in bulk and in the fast diffusion paths known as grain boundaries. Using the principles of molecular dynamics single boundaries are studied and their structure and dynamic properties characterized. In particular, tilt boundary bicrystal and bulk models of fcc Al and bcc alpha-Fe are simulated. Diffusion coefficients and activation energies for atomic motion are calculated for both models and compared to experimental data. The influence of the interatomic pair potential on the diffusion is studied in detail. A universal relation between the melting temperature that a pair potential induces in a simulated bulk model and the potential energy barrier height for atomic hopping is derived and used to correlate results for a wide variety of pair potentials. Using these techniques grain boundary and bulk diffusion coefficients for any fcc material can be estimated from simple static calculations without the need to perform more time-consuming dynamic simulations. The influences of two other factors on grain boundary diffusion are also studied because of the interest of the microelectronics industry in the diffusion related reliability problem known as electromigration. The first factor, known to affect the self diffusion rate of Al, is the presence of Cu impurity atoms in Al tilt boundaries. The bicrystal model for Al is seeded randomly with Cu atoms and a simple hybrid Morse potential used to model the Al-Cu interaction. While some effect due to the Cu is noted, it is concluded that pair potentials are likely an inadequate approximation for the alloy system. The second factor studied is the effect of the boundary orientation angle on the diffusion rate. Symmetric bcc Fe boundaries are relaxed to find optimal structures and their diffusion coefficients calculated. Good agreement is found with the dislocation pipe model for tilt boundary diffusion.

Self-Diffusion of small Ag and Ni islands on Ag(111) and Ni(111) using the self-learning kinetic Monte Carlo method

NASA Astrophysics Data System (ADS)

Islamuddin Shah, Syed; Nandipati, Giridhar; Kara, Abdelkader; Rahman, Talat S.

2012-02-01

We have applied a modified Self-Learning Kinetic Monte Carlo (SLKMC) method [1] to examine the self-diffusion of small Ag and Ni islands, containing up to 10 atom, on the (111) surface of the respective metal. The pattern recognition scheme in this new SLKMC method allows occupancy of the fcc, hcp and top sites on the fcc(111) surface and employs them to identify the local neighborhood around a central atom. Molecular static calculations with semi empirical interatomic potential and reliable techniques for saddle point search revealed several new diffusion mechanisms that contribute to the diffusion of small islands. For comparison we have also evaluated the diffusion characteristics of Cu clusters on Cu(111) and compared results with previous findings [2]. Our results show a linear increase in effective energy barriers scaling almost as 0.043, 0.051 and 0.064 eV/atom for the Cu/Cu(111), Ag/Ag(111), and Ni/Ni(111) systems, respectively. For all three systems, diffusion of small islands proceeds mainly through concerted motion, although several multiple and single atom processes also contribute. [1] Oleg Trushin et al. Phys. Rev. B 72, 115401 (2005) [2] Altaf Karim et al. Phys. Rev. B 73, 165411 (2006)

Neutral escape at Mars induced by the precipitation of high-energy protons and hydrogen atoms of the solar wind origin

NASA Astrophysics Data System (ADS)

Shematovich, Valery I.

2017-04-01

One of the first surprises of the NASA MAVEN mission was the observation by the SWIA instrument of a tenuous population of protons with solar wind energies travelling anti-sunward near periapsis, at altitudes of 150-250 km (Halekas et al., 2015). While the penetration of solar wind protons to low altitude is not completely unexpected given previous Mars Express results, this population maintains exactly the same velocity as the solar wind observed. From previous studies it was known that some fraction of the solar wind can interact with the extended corona of Mars. By charge exchange with the neutral particles in this corona, some fraction of the incoming solar wind protons can gain an electron and become an energetic neutral hydrogen atom. Once neutral, these particles penetrate through the Martian induced magnetosphere with ease, with free access to the collisional atmosphere/ionosphere. The origin, kinetics and transport of the suprathermal O atoms in the transition region (from thermosphere to exosphere) of the Martian upper atmosphere due to the precipitation of the high-energy protons and hydrogen atoms are discussed. Kinetic energy distribution functions of suprathermal and superthermal (ENA) oxygen atoms formed in the Martian upper atmosphere were calculated using the kinetic Monte Carlo model (Shematovich et al., 2011, Shematovich, 2013) of the high-energy proton and hydrogen atom precipitation into the atmosphere. These functions allowed us: (a) to estimate the non-thermal escape rates of neutral oxygen from the Martian upper atmosphere, and (b) to compare with available MAVEN measurements of oxygen corona. Induced by precipitation the escape of hot oxygen atoms may become dominant under conditions of extreme solar events - solar flares and coronal mass ejections, - as it was shown by recent observations of the NASA MAVEN spacecraft (Jakosky et al., 2015). This work is supported by the RFBR project and by the Basic Research Program of the Praesidium of the Russian Academy of Sciences (Program 1.7). References Shematovich, Solar System Res., 2013, v.47, 437. Shematovich et al., J. Geophys. Res., 2011, v.116, A11320. Halekas et al., Geophys. Res. Lett., 2015, v. 42. doi:10.1002/2015GL064781. Jakosky et al., Science, 2015, v. 350, Issue 6261, aad0210:1-7.

Titan's gas and plasma torus

NASA Technical Reports Server (NTRS)

Eviatar, A.; Podolak, M.

1983-01-01

The implications of the Voyager observations for a steady state model of a torus of hydrogen and nitrogen neutral gas and plasma are assessed. Constraints are placed on the nitrogen neutral density, the neutral hydrogen and nitrogen escape fluxes (from Titan), and the diffusion rate in terms of observed or inferred quantities. The results obtained are consistent with the Voyager observations.

Clustering on Magnesium Surfaces - Formation and Diffusion Energies.

PubMed

Chu, Haijian; Huang, Hanchen; Wang, Jian

2017-07-12

The formation and diffusion energies of atomic clusters on Mg surfaces determine the surface roughness and formation of faulted structure, which in turn affect the mechanical deformation of Mg. This paper reports first principles density function theory (DFT) based quantum mechanics calculation results of atomic clustering on the low energy surfaces {0001} and [Formula: see text]. In parallel, molecular statics calculations serve to test the validity of two interatomic potentials and to extend the scope of the DFT studies. On a {0001} surface, a compact cluster consisting of few than three atoms energetically prefers a face-centered-cubic stacking, to serve as a nucleus of stacking fault. On a [Formula: see text], clusters of any size always prefer hexagonal-close-packed stacking. Adatom diffusion on surface [Formula: see text] is high anisotropic while isotropic on surface (0001). Three-dimensional Ehrlich-Schwoebel barriers converge as the step height is three atomic layers or thicker. Adatom diffusion along steps is via hopping mechanism, and that down steps is via exchange mechanism.

Theoretical approach to oxygen atom degradation of silver

NASA Technical Reports Server (NTRS)

Fromhold, Albert T., Jr.; Noh, Seung; Beshears, Ronald; Whitaker, Ann F.; Little, Sally A.

1987-01-01

Based on available Rutherford backscattering spectrometry (RBS), proton induced X-ray emission (PIXE) and ellipsometry data obtained on silver specimens subjected to atomic oxygen attack in low Earth orbit STS flight 41-G, a theory was developed to model the oxygen atom degradation of silver. The diffusion of atomic oxygen in a microscopically nonuniform medium is an essential constituent of the theory. The driving force for diffusion is the macroscopic electrochemical potential gradient developed between the specimen surface exposed to the ambient and the bulk of the silver specimen. The longitudinal electric effect developed parallel to the gradient is modified by space charge of the diffusing charged species. Lateral electric fields and concentration differences also exist due to the nonuniform nature of the medium. The lateral concentration differences are found to be more important than the lateral electric fields in modifying the diffusion rate. The model was evaluated numerically. Qualitative agreement exists between the kinetics predicted by the theory and kinetic data taken in ground-based experiments utilizing a plasma asher.

Integrated Optical Dipole Trap for Cold Neutral Atoms with an Optical Waveguide Coupler

NASA Astrophysics Data System (ADS)

Lee, J.; Park, D. H.; Mittal, S.; Meng, Y.; Dagenais, M.; Rolston, S. L.

2013-05-01

Using an optical waveguide, an integrated optical dipole trap uses two-color (red and blue-detuned) traveling evanescent wave fields for trapping cold neutral atoms. To achieve longitudinal confinement, we propose using an integrated optical waveguide coupler, which provides a potential gradient along the beam propagation direction sufficient to confine atoms. This integrated optical dipole trap can support an atomic ensemble with a large optical depth due to its small mode area. Its quasi-TE0 waveguide mode has an advantage over the HE11 mode of a nanofiber, with little inhomogeneous Zeeman broadening at the trapping region. The longitudinal confinement eliminates the need for a 1D optical lattice, reducing collisional blockaded atomic loading, potentially producing larger ensembles. The waveguide trap allows for scalability and integrability with nano-fabrication technology. We analyze the potential performance of such integrated atom traps and present current research progress towards a fiber-coupled silicon nitride optical waveguide integrable with atom chips. Work is supported by the ARO Atomtronics MURI. Work is supported by the ARO Atomtronics MURI.

Hybrid Quantum Information Processing with Superconductors and Neutral Atoms

NASA Astrophysics Data System (ADS)

McDermott, Robert

Hybrid approaches to quantum information processing (QIP) aim to capitalize on the strengths of disparate quantum technologies to realize a system whose capabilities exceed those of any single experimental platform. At the University of Wisconsin, we are working toward integration of a fast superconducting quantum processor with a stable, long-lived quantum memory based on trapped neutral atoms. Here we describe the development of a quantum interface between superconducting thin-film cavity circuits and trapped Rydberg atoms, the key technological obstacle to realization of superconductor-atom hybrid QIP. Specific accomplishments to date include development of a theoretical protocol for high-fidelity state transfer between the atom and the cavity; fabrication and characterization of high- Q superconducting cavities with integrated trapping electrodes to enhance zero-point microwave fields at a location remote from the chip surface; and trapping and Rydberg excitation of single atoms within 1 mm of the cavity. We discuss the status of experiments to probe the strong coherent coupling of single Rydberg atoms and the superconducting cavity. Supported by ARO under contract W911NF-16-1-0133.

Spreadsheet-Based Program for Simulating Atomic Emission Spectra

ERIC Educational Resources Information Center

Flannigan, David J.

2014-01-01

A simple Excel spreadsheet-based program for simulating atomic emission spectra from the properties of neutral atoms (e.g., energies and statistical weights of the electronic states, electronic partition functions, transition probabilities, etc.) is described. The contents of the spreadsheet (i.e., input parameters, formulas for calculating…

PROBING THE LOCAL BUBBLE WITH DIFFUSE INTERSTELLAR BANDS. II. THE DIB PROPERTIES IN THE NORTHERN HEMISPHERE

DOE Office of Scientific and Technical Information (OSTI.GOV)

Farhang, Amin; Khosroshahi, Habib G.; Javadi, Atefeh

2015-02-10

We present a new high signal-to-noise ratio spectroscopic survey of the Northern hemisphere to probe the Local Bubble and its surroundings using the λ5780 Å and λ5797 Å diffuse interstellar bands (DIBs). We observed 432 sightlines to a distance of 200 pc over a duration of three years. In this study, we establish the λ5780 and λ5797 correlations with Na I, Ca II and E {sub B-V}, for both inside and outside the Local Bubble. The correlations show that among all neutral and ionized atoms, the correlation between Ca II and λ5780 is stronger than its correlation with λ5797, suggestingmore » that λ5780 is more associated with regions where Ca{sup +} is more abundant. We study the λ5780 correlation with λ5797, which shows a tight correlation within and outside the Local Bubble. In addition, we investigate the DIB properties in UV irradiated and UV shielded regions. We find that, within and beyond the Local Bubble, λ5797 is located in denser parts of clouds, protected from UV irradiation, while λ5780 is located in the low-density regions of clouds.« less

Anomalous diffusion in neutral evolution of model proteins.

PubMed

Nelson, Erik D; Grishin, Nick V

2015-06-01

Protein evolution is frequently explored using minimalist polymer models, however, little attention has been given to the problem of structural drift, or diffusion. Here, we study neutral evolution of small protein motifs using an off-lattice heteropolymer model in which individual monomers interact as low-resolution amino acids. In contrast to most earlier models, both the length and folded structure of the polymers are permitted to change. To describe structural change, we compute the mean-square distance (MSD) between monomers in homologous folds separated by n neutral mutations. We find that structural change is episodic, and, averaged over lineages (for example, those extending from a single sequence), exhibits a power-law dependence on n. We show that this exponent depends on the alignment method used, and we analyze the distribution of waiting times between neutral mutations. The latter are more disperse than for models required to maintain a specific fold, but exhibit a similar power-law tail.

Anomalous diffusion in neutral evolution of model proteins

NASA Astrophysics Data System (ADS)

Nelson, Erik D.; Grishin, Nick V.

2015-06-01

Protein evolution is frequently explored using minimalist polymer models, however, little attention has been given to the problem of structural drift, or diffusion. Here, we study neutral evolution of small protein motifs using an off-lattice heteropolymer model in which individual monomers interact as low-resolution amino acids. In contrast to most earlier models, both the length and folded structure of the polymers are permitted to change. To describe structural change, we compute the mean-square distance (MSD) between monomers in homologous folds separated by n neutral mutations. We find that structural change is episodic, and, averaged over lineages (for example, those extending from a single sequence), exhibits a power-law dependence on n . We show that this exponent depends on the alignment method used, and we analyze the distribution of waiting times between neutral mutations. The latter are more disperse than for models required to maintain a specific fold, but exhibit a similar power-law tail.

An investigation of Ar metastable state density in low pressure dual-frequency capacitively coupled argon and argon-diluted plasmas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Wen-Yao; Xu, Yong, E-mail: yongxu@dlut.edu.cn; Peng, Fei

2015-01-14

An tunable diode laser absorption spectroscopy has been used to determine the Ar*({sup 3}P{sub 2}) and Ar*({sup 3}P{sub 0}) metastable atoms densities in dual-frequency capacitively coupled plasmas. The effects of different control parameters, such as high-frequency power, gas pressure and content of Ar, on the densities of two metastable atoms and electron density were discussed in single-frequency and dual-frequency Ar discharges, respectively. Particularly, the effects of the pressure on the axial profile of the electron and Ar metastable state densities were also discussed. Furthermore, a simple rate model was employed and its results were compared with experiments to analyze themore » main production and loss processes of Ar metastable states. It is found that Ar metastable state is mainly produced by electron impact excitation from the ground state, and decayed by diffusion and collision quenching with electrons and neutral molecules. Besides, the addition of CF{sub 4} was found to significantly increase the metastable destruction rate by the CF{sub 4} quenching, especially for large CF{sub 4} content and high pressure, it becomes the dominant depopulation process.« less

Thermobaricity, cabbeling, and water-mass conversion

NASA Astrophysics Data System (ADS)

McDougall, Trevor J.

1987-05-01

The efficient mixing of heat and salt along neutral surfaces (by mesoscale eddies) is shown to lead to vertical advection through these neutral surfaces. This is due to the nonlinearities of the equation of state of seawater through terms like ∂2ρ/∂θ∂p (thermobaric effect) and ∂2ρ/∂ θ2 (cabbeling). Cabbeling always causes a sinking or downwelling of fluid through neutral surfaces, whereas thermobaricity can lead to a vertical velocity (relative to neutral surfaces) of either sign. In this paper it is shown that for reasonable values of the lateral scalar diffusivity (especially below a depth of 1000 m), these two processes cause vertical velocities of the order of 10-7 m s-1 through neutral surfaces (usually downward!) and cause water-mass conversion of a magnitude equal to that caused by a vertical diffusivity of 10-4 m2 s-1 (often equivalent to a negative diffusivity). Both thermobaricity and cabbeling can occur in the presence of any nonzero amount of small-scale turbulence and so will not be detected by microstructure measurements. The conservation equations for tracers are considered in a nonorthogonal coordinate frame that moves with neutral surfaces in the ocean. Since only mixing processes cause advection across neutral surfaces, it is useful to regard this vertical advection as a symptom of various mixing processes rather than as a separate physical process. It is possible to derive conservative equations for scalars that do not contain the vertical advective term explicity. In these conservation equations, the terms that represent mixing processes are substantially altered. It is argued that this form of the conservation equations is the most appropriate when considering water-mass transformation, and some examples are given of its application in the North Atlantic. It is shown that the variation of the vertical diffusivity with height does not cause water-mass transformation. Also, salt fingering is often 3-4 times more effective at changing the potential temperature of a water mass than would be implied by simply calculating the vertical derivative of the fingering heat flux.

Zinc diffusion in gallium arsenide and the properties of gallium interstitials

NASA Astrophysics Data System (ADS)

Bracht, H.; Brotzmann, S.

2005-03-01

We have performed zinc diffusion experiments in gallium arsenide at temperatures between 620°C and 870°C with a dilute Ga-Zn source. The low Zn partial pressure established during annealing realizes Zn surface concentrations of ⩽2×1019cm-3 , which lead to the formation of characteristic S-shaped diffusion profiles. Accurate modeling of the Zn profiles, which were measured by means of secondary ion mass spectroscopy, shows that Zn diffusion under the particular doping conditions is mainly mediated by neutral and singly positively charged Ga interstitials via the kick-out mechanism. We determined the temperature dependence of the individual contributions of neutral and positively charged Ga interstitials to Ga diffusion for electronically intrinsic conditions. The data are lower than the total Ga self-diffusion coefficient and hence consistent with the general interpretation that Ga diffusion under intrinsic conditions is mainly mediated by Ga vacancies. Our results disprove the general accepted interpretation of Zn diffusion in GaAs via doubly and triply positively charged Ga interstitials and solves the inconsistency related to the electrical compensation of the acceptor dopant Zn by the multiply charged Ga interstitials.

Two-dimensional Radiative Magnetohydrodynamic Simulations of Partial Ionization in the Chromosphere. II. Dynamics and Energetics of the Low Solar Atmosphere

DOE Office of Scientific and Technical Information (OSTI.GOV)

Martínez-Sykora, Juan; Pontieu, Bart De; Hansteen, Viggo H.

2017-09-20

We investigate the effects of interactions between ions and neutrals on the chromosphere and overlying corona using 2.5D radiative MHD simulations with the Bifrost code. We have extended the code capabilities implementing ion–neutral interaction effects using the generalized Ohm’s law, i.e., we include the Hall term and the ambipolar diffusion (Pedersen dissipation) in the induction equation. Our models span from the upper convection zone to the corona, with the photosphere, chromosphere, and transition region partially ionized. Our simulations reveal that the interactions between ionized particles and neutral particles have important consequences for the magnetothermodynamics of these modeled layers: (1) ambipolarmore » diffusion increases the temperature in the chromosphere; (2) sporadically the horizontal magnetic field in the photosphere is diffused into the chromosphere, due to the large ambipolar diffusion; (3) ambipolar diffusion concentrates electrical currents, leading to more violent jets and reconnection processes, resulting in (3a) the formation of longer and faster spicules, (3b) heating of plasma during the spicule evolution, and (3c) decoupling of the plasma and magnetic field in spicules. Our results indicate that ambipolar diffusion is a critical ingredient for understanding the magnetothermodynamic properties in the chromosphere and transition region. The numerical simulations have been made publicly available, similar to previous Bifrost simulations. This will allow the community to study realistic numerical simulations with a wider range of magnetic field configurations and physics modules than previously possible.« less

Two-dimensional Radiative Magnetohydrodynamic Simulations of Partial Ionization in the Chromosphere. II. Dynamics and Energetics of the Low Solar Atmosphere

NASA Astrophysics Data System (ADS)

Martínez-Sykora, Juan; De Pontieu, Bart; Carlsson, Mats; Hansteen, Viggo H.; Nóbrega-Siverio, Daniel; Gudiksen, Boris V.

2017-09-01

We investigate the effects of interactions between ions and neutrals on the chromosphere and overlying corona using 2.5D radiative MHD simulations with the Bifrost code. We have extended the code capabilities implementing ion-neutral interaction effects using the generalized Ohm’s law, I.e., we include the Hall term and the ambipolar diffusion (Pedersen dissipation) in the induction equation. Our models span from the upper convection zone to the corona, with the photosphere, chromosphere, and transition region partially ionized. Our simulations reveal that the interactions between ionized particles and neutral particles have important consequences for the magnetothermodynamics of these modeled layers: (1) ambipolar diffusion increases the temperature in the chromosphere; (2) sporadically the horizontal magnetic field in the photosphere is diffused into the chromosphere, due to the large ambipolar diffusion; (3) ambipolar diffusion concentrates electrical currents, leading to more violent jets and reconnection processes, resulting in (3a) the formation of longer and faster spicules, (3b) heating of plasma during the spicule evolution, and (3c) decoupling of the plasma and magnetic field in spicules. Our results indicate that ambipolar diffusion is a critical ingredient for understanding the magnetothermodynamic properties in the chromosphere and transition region. The numerical simulations have been made publicly available, similar to previous Bifrost simulations. This will allow the community to study realistic numerical simulations with a wider range of magnetic field configurations and physics modules than previously possible.

Variations in thermo-optical properties of neutral red dye with laser ablated gold nanoparticles

NASA Astrophysics Data System (ADS)

Prakash, Anitha; Pathrose, Bini P.; Mathew, S.; Nampoori, V. P. N.; Radhakrishnan, P.; Mujeeb, A.

2018-05-01

We have investigated the thermal and optical properties of neutral red dye incorporated with different weight percentage of gold nanoparticles prepared by laser ablation method. Optical absorption studies confirmed the production of spherical nanoparticles and also the interactions of the dye molecules with gold nanoparticles. The quenching of fluorescence and the reduction in the lifetime of gold incorporated samples were observed and was due to the non-radiative energy transfer between the dye molecules and gold nanoparticles. Dual beam thermal lens technique has been employed to measure the heat diffusion in neutral red with various weight percentage of gold nano sol dispersed in ethanol. The significant outcome of the experiment is that, the overall heat diffusion is slower in the presence of gold nano sol compared to that of dye alone sample. Brownian motion is suggested to be the main mechanism of heat transfer under the present conditions. The thermal diffusivity variations of samples with respect to different excitation power of laser were also studied.

Anomalous diffusion in a dynamical optical lattice

NASA Astrophysics Data System (ADS)

Zheng, Wei; Cooper, Nigel R.

2018-02-01

Motivated by experimental progress in strongly coupled atom-photon systems in optical cavities, we study theoretically the quantum dynamics of atoms coupled to a one-dimensional dynamical optical lattice. The dynamical lattice is chosen to have a period that is incommensurate with that of an underlying static lattice, leading to a dynamical version of the Aubry-André model which can cause localization of single-particle wave functions. We show that atomic wave packets in this dynamical lattice generically spread via anomalous diffusion, which can be tuned between superdiffusive and subdiffusive regimes. This anomalous diffusion arises from an interplay between Anderson localization and quantum fluctuations of the cavity field.

Emission- and fluorescence-spectroscopic investigation of a glow discharge plasma: absolute number density of radiative and nonradiative atoms in the negative glow.

PubMed

Takubo, Y; Sato, T; Asaoka, N; Kusaka, K; Akiyama, T; Muroo, K; Yamamoto, M

2008-01-01

The excited-state atom densities in the negative glow of a direct-current glow discharge are derived from the spectral-line intensity of radiative atoms and the resonance-fluorescence photon flux of nonradiative atoms. The discharge is operated in a helium-argon gas mixture (molar fraction ratio 91:9; total gas pressure 5 Torr) at a dc current of 0.7-1.2 mA. The observations are made in the region of the maximum luminance in the cathode region, where high-energy electrons accelerated in the cathode fall are injected into the negative glow. The emission intensities of the He I, He II, Ar I, and Ar II spectral lines are measured with a calibrated tungsten ribbon lamp as an absolute spectral-radiance standard. Fluorescence photons scattered by helium and argon atoms in the metastable state and argon atoms in the resonance state are detected by the laser-induced fluorescence (LIF) method with the Rayleigh scattering of nitrogen molecules as an absolute standard of scattering cross section. The laser absorption method is incorporated to confirm the result of the LIF measurement. Excitation energies of the measured spectral lines range from 11.6 (Ar I) to 75.6 eV (He II), where the excitation energy is measured from the ground state of the neutral atom on the assumption that, in the plasma of this study, both the neutral and the ionic lines are excited by electron impact in a single-step process from the ground state of the corresponding neutral atoms. Experimental evidence is shown for the validity of this assumption.

X-ray generator

DOEpatents

Dawson, John M.

1976-01-01

Apparatus and method for producing coherent secondary x-rays that are controlled as to direction by illuminating a mixture of high z and low z gases with an intense burst of primary x-rays. The primary x-rays are produced with a laser activated plasma, and these x-rays strip off the electrons of the high z atoms in the lasing medium, while the low z atoms retain their electrons. The neutral atoms transfer electrons to highly excited states of the highly striped high z ions giving an inverted population which produces the desired coherent x-rays. In one embodiment, a laser, light beam provides a laser spark that produces the intense burst of coherent x-rays that illuminates the mixture of high z and low z gases, whereby the high z atoms are stripped while the low z ones are not, giving the desired mixture of highly ionized and neutral atoms. To this end, the laser spark is produced by injecting a laser light beam, or a plurality of beams, into a first gas in a cylindrical container having an adjacent second gas layer co-axial therewith, the laser producing a plasma and the intense primary x-rays in the first gas, and the second gas containing the high and low atomic number elements for receiving the primary x-rays, whereupon the secondary x-rays are produced therein by stripping desired ions in a neutral gas and transfer of electrons to highly excited states of the stripped ions from the unionized atoms. Means for magnetically confining and stabilizing the plasma are disclosed for controlling the direction of the x-rays.

Ion guiding accompanied by formation of neutrals in polyethylene terephthalate polymer nanocapillaries: Further insight into a self-organizing process

DOE Office of Scientific and Technical Information (OSTI.GOV)

Juhasz, Z.; Sulik, B.; Racz, R.

2010-12-15

A relatively large yield of neutralized atoms was observed when 3 keV Ar{sup 7+} ions were guided trough polyethylene terephthalate nanocapillaries. Time and deposited-charge dependence of the angular distribution of both the guided ions and the neutrals was measured simultaneously using a two-dimensional multichannel plate detector. The yield of neutrals increased significantly faster than that of guided ions and saturated typically at a few percent level. In accordance with earlier observations, both the yield and the mean emission angle of the guided ions exhibited strong oscillations. For the atoms, the equilibrium was achieved not only faster, but also without significantmore » oscillations in yield and angular position. A phase analysis of these time dependencies provides insight into the dynamic features of the self-organizing mechanisms, which leads to ion guiding in insulating nanocapillaries.« less

Laboratory Studies of Thermal Energy Charge Transfer of Silicon and Iron Ions in Astrophysical Plasmas

NASA Technical Reports Server (NTRS)

Kwong, Victor H. S.

1997-01-01

The laser ablation/ion storage facility at the UNLV Physics Department is dedicated to the study of atomic processes in low temperature plasmas. Our current program is directed to the study of charge transfer of multiply charged ions and neutrals that are of importance to astrophysics at energies less than 1 eV (about 10(exp 4) K). Specifically, we measure the charge transfer rate coefficient of ions such as N(2+), Si(3+), Si(3+), with helium and Fe(2+) with molecular and atomic hydrogen. All these ions are found in a variety of astrophysical plasmas. Their electron transfer reactions with neutral atoms can affect the ionization equilibrium of the plasma.

Rashba spin-orbit coupling for neutral atoms

NASA Astrophysics Data System (ADS)

Campbell, Daniel; Juzeliūnas, Gediminas; Spielman, Ian

2011-05-01

We theoretically describe a new class of atom-laser coupling schemes which lead to effective spin-orbit coupled Hamiltonians for ultra-cold neutral atoms. By properly setting the optical phases, a pair of degenerate spin states emerge as the lowest energy states in the spectrum, and are thus immune to collisionally induced decay. These schemes use N cyclically coupled ground or metastable internal states but we will specialize to the four-level case for this talk. Time permitting, we will describe a possible implementation of this scheme for 87Rb that adds a controllable Dresselhaus component to the effective Hamiltonian in a natural way. NSF through PFC at JQI, ARO with funds from Atomtronics MURI and DARPA OLE, STREP NAMEQUAM.

Dipole-dipole interactions in a hot atomic vapor and in an ultracold gas of Rydberg atoms

NASA Astrophysics Data System (ADS)

Sautenkov, V. A.; Saakyan, S. A.; Bronin, S. Ya; Klyarfeld, A. B.; Zelener, B. B.; Zelener, B. V.

2018-01-01

In our paper ideal and non-ideal gas media of neutral atoms are analyzed. The first we discuss a dipole broadening of atomic transitions in excited dilute and dense metal vapors. Then the theoretical studies of the dipole-dipole interactions in dense ultracold gas of Rydberg atoms are considered. Possible future experiments on a base of our experimental arrangement are suggested.

Diffuse X-ray sky in the Galactic center

NASA Astrophysics Data System (ADS)

Koyama, Katsuji

2018-01-01

The Galactic diffuse X-ray emission (GDXE) in the Milky Way Galaxy is spatially and spectrally decomposed into the Galactic center X-ray emission (GCXE), the Galactic ridge X-ray emission (GRXE), and the Galactic bulge X-ray emission (GBXE). The X-ray spectra of the GDXE are characterized by the strong K-shell lines of the highly ionized atoms, and the brightest lines are the K-shell transition (principal quantum number transition of n = 2 → 1) of neutral iron (Fe I-Kα), He-like iron (Fe XXV-Heα), and He-like sulfur (S XV-Heα). Accordingly, the GDXE is composed of a high-temperature plasma of ˜7 keV (HTP) and a low-temperature plasma of ˜1 keV, which emit the Fe XXV-Heα and S XV-Heα lines, respectively. The Fe I-Kα line is emitted from nearly neutral irons, and hence the third component of the GDXE is a cool gas (CG). The Fe I-Kα distribution in the GCXE region is clumpy (Fe I-Kα clump), associated with giant molecular cloud (MC) complexes (Sagittarius A, B, C, D, and E) in the central molecular zone. The origin of the Fe I-Kα clumps is the fluorescence and Thomson scattering from the MCs irradiated by past big flares of the supermassive black hole Sagittarius A*. The scale heights and equivalent widths of the Fe I-Kα, Fe XXV-Heα, and Fe XXVI-Lyα (n = 2 → 1 transition of H-like iron) lines are different among the GCXE, GBXE, and GRXE. Therefore, their structures and origins are separately examined. This paper gives an overview of the research history and the present understandings of the GDXE, while in particular focusing on the origin of the HTP and CG in the GCXE.

Modeling Emission of Heavy Energetic Neutral Atoms from the Heliosphere

DOE Office of Scientific and Technical Information (OSTI.GOV)

Swaczyna, Paweł; Bzowski, Maciej, E-mail: pswaczyna@cbk.waw.pl

2017-09-10

Observations of energetic neutral atoms (ENAs) are a fruitful tool for remote diagnosis of the plasma in the heliosphere and its vicinity. So far, instruments detecting ENAs from the heliosphere were configured for observations of hydrogen atoms. Here, we estimate emissions of ENAs of the heavy chemical elements helium, oxygen, nitrogen, and neon. A large portion of the heliospheric ENAs is created in the inner heliosheath from neutralized interstellar pick-up ions (PUIs). We modeled this process and calculated full-sky intensities of ENAs for energies 0.2–130 keV/nuc. We found that the largest fluxes among considered species are expected for helium, smallermore » for oxygen and nitrogen, and smallest for neon. The obtained intensities are 50–10{sup 6} times smaller than the hydrogen ENA intensities observed by IBEX . The detection of heavy ENAs will be possible if a future ENA detector is equipped with the capability to measure the masses of observed atoms. Because of different reaction cross-sections among the different species, observations of heavy ENAs can allow for a better understanding of global structure of the heliosphere as well as the transport and energization of PUIs in the heliosphere.« less

Modeling Emission of Heavy Energetic Neutral Atoms from the Heliosphere

NASA Astrophysics Data System (ADS)

Swaczyna, Paweł; Bzowski, Maciej

2017-09-01

Observations of energetic neutral atoms (ENAs) are a fruitful tool for remote diagnosis of the plasma in the heliosphere and its vicinity. So far, instruments detecting ENAs from the heliosphere were configured for observations of hydrogen atoms. Here, we estimate emissions of ENAs of the heavy chemical elements helium, oxygen, nitrogen, and neon. A large portion of the heliospheric ENAs is created in the inner heliosheath from neutralized interstellar pick-up ions (PUIs). We modeled this process and calculated full-sky intensities of ENAs for energies 0.2-130 keV/nuc. We found that the largest fluxes among considered species are expected for helium, smaller for oxygen and nitrogen, and smallest for neon. The obtained intensities are 50-106 times smaller than the hydrogen ENA intensities observed by IBEX. The detection of heavy ENAs will be possible if a future ENA detector is equipped with the capability to measure the masses of observed atoms. Because of different reaction cross-sections among the different species, observations of heavy ENAs can allow for a better understanding of global structure of the heliosphere as well as the transport and energization of PUIs in the heliosphere.

Reactions between NO/+/ and metal atoms using magnetically confined afterglows

NASA Technical Reports Server (NTRS)

Lo, H. H.; Clendenning, L. M.; Fite, W. L.

1977-01-01

A new method of studying thermal energy ion-neutral collision processes involving nongaseous neutral atoms is described. A long magnetic field produced by a solenoid in a vacuum chamber confines a thermal-energy plasma generated by photoionization of gas at very low pressure. As the plasma moves toward the end of the field, it is crossed by a metal atom beam. Ionic products of ion-atom reactions are trapped by the field and both the reactant and product ions move to the end of the magnetic field where they are detected by a quadrupole mass filter. The cross sections for charge transfer between NO(+) and Na, Mg, Ca, and Sr and that for rearrangement between NO(+) and Ca have been obtained. The charge-transfer reaction is found strongly dominant over the rearrangement reaction that forms metallic oxide ions.

High Resolution X-ray Measurements Following Charge Exchange with Atomic H: Data for a New Observational Window on Diffuse Astrophysical Sources

NASA Astrophysics Data System (ADS)

Havener, Charles

It is rapidly being realized that many X-ray astronomical investigations are being affected in one way or another by charge exchange emission. Metal abundance measurements in supernova remnants and in outflows from star-forming galaxies need to be corrected for this additional process, and all X-ray observations of low surface brightness objects, such as the outskirts of clusters, galactic halos, the intergalactic medium, and plasma emission from hot interstellar gas are seriously compromised by a highly variable and largely unpredictable foreground from the exchange of solar wind ions on interstellar neutrals within the Solar system. At the same time, charge exchange provides a new sensitivity to mixing at interfaces between hot and cold gas, including direct measurements of relative velocities. The new generation of facilities with microcalorimeter detectors, starting with Astro-H in 2015, will provide the energy resolution and throughput for extended sources required to take advantage of this process. But analysis requires accurate partial cross sections for the production of individual lines, and even the most sophisticated of current charge exchange models do not do this with adequate precision. We propose an inexpensive modification of the Wisconsin high-throughput XQC microcalorimeter instrument so that it can be used on the merged beam facility at Oak Ridge to make direct measurement of lines of interest from collisions between an assortment of heavy ions with neutral atomic hydrogen. In this beam-beam system, the entire range of astrophysically interesting relative velocities can be investigated. We will work closely with modelers to use these results to tune their models to give accurate results for additional ions.

Wright-Fisher diffusion bridges.

PubMed

Griffiths, Robert C; Jenkins, Paul A; Spanò, Dario

2017-10-06

The trajectory of the frequency of an allele which begins at x at time 0 and is known to have frequency z at time T can be modelled by the bridge process of the Wright-Fisher diffusion. Bridges when x=z=0 are particularly interesting because they model the trajectory of the frequency of an allele which appears at a time, then is lost by random drift or mutation after a time T. The coalescent genealogy back in time of a population in a neutral Wright-Fisher diffusion process is well understood. In this paper we obtain a new interpretation of the coalescent genealogy of the population in a bridge from a time t∈(0,T). In a bridge with allele frequencies of 0 at times 0 and T the coalescence structure is that the population coalesces in two directions from t to 0 and t to T such that there is just one lineage of the allele under consideration at times 0 and T. The genealogy in Wright-Fisher diffusion bridges with selection is more complex than in the neutral model, but still with the property of the population branching and coalescing in two directions from time t∈(0,T). The density of the frequency of an allele at time t is expressed in a way that shows coalescence in the two directions. A new algorithm for exact simulation of a neutral Wright-Fisher bridge is derived. This follows from knowing the density of the frequency in a bridge and exact simulation from the Wright-Fisher diffusion. The genealogy of the neutral Wright-Fisher bridge is also modelled by branching Pólya urns, extending a representation in a Wright-Fisher diffusion. This is a new very interesting representation that relates Wright-Fisher bridges to classical urn models in a Bayesian setting. Copyright © 2017 Elsevier Inc. All rights reserved.

Ultracold neutral plasmas

NASA Astrophysics Data System (ADS)

Lyon, M.; Rolston, S. L.

2017-01-01

By photoionizing samples of laser-cooled atoms with laser light tuned just above the ionization limit, plasmas can be created with electron and ion temperatures below 10 K. These ultracold neutral plasmas have extended the temperature bounds of plasma physics by two orders of magnitude. Table-top experiments, using many of the tools from atomic physics, allow for the study of plasma phenomena in this new regime with independent control over the density and temperature of the plasma through the excitation process. Characteristic of these systems is an inhomogeneous density profile, inherited from the density distribution of the laser-cooled neutral atom sample. Most work has dealt with unconfined plasmas in vacuum, which expand outward at velocities of order 100 m/s, governed by electron pressure, and with lifetimes of order 100 μs, limited by stray electric fields. Using detection of charged particles and optical detection techniques, a wide variety of properties and phenomena have been observed, including expansion dynamics, collective excitations in both the electrons and ions, and collisional properties. Through three-body recombination collisions, the plasmas rapidly form Rydberg atoms, and clouds of cold Rydberg atoms have been observed to spontaneously avalanche ionize to form plasmas. Of particular interest is the possibility of the formation of strongly coupled plasmas, where Coulomb forces dominate thermal motion and correlations become important. The strongest impediment to strong coupling is disorder-induced heating, a process in which Coulomb energy from an initially disordered sample is converted into thermal energy. This restricts electrons to a weakly coupled regime and leaves the ions barely within the strongly coupled regime. This review will give an overview of the field of ultracold neutral plasmas, from its inception in 1999 to current work, including efforts to increase strong coupling and effects on plasma properties due to strong coupling.

Adiabatic quantum computation with neutral atoms via the Rydberg blockade

NASA Astrophysics Data System (ADS)

Goyal, Krittika; Deutsch, Ivan

2011-05-01

We study a trapped-neutral-atom implementation of the adiabatic model of quantum computation whereby the Hamiltonian of a set of interacting qubits is changed adiabatically so that its ground state evolves to the desired output of the algorithm. We employ the ``Rydberg blockade interaction,'' which previously has been used to implement two-qubit entangling gates in the quantum circuit model. Here it is employed via off-resonant virtual dressing of the excited levels, so that atoms always remain in the ground state. The resulting dressed-Rydberg interaction is insensitive to the distance between the atoms within a certain blockade radius, making this process robust to temperature and vibrational fluctuations. Single qubit interactions are implemented with global microwaves and atoms are locally addressed with light shifts. With these ingredients, we study a protocol to implement the two-qubit Quadratic Unconstrained Binary Optimization (QUBO) problem. We model atom trapping, addressing, coherent evolution, and decoherence. We also explore collective control of the many-atom system and generalize the QUBO problem to multiple qubits. We study a trapped-neutral-atom implementation of the adiabatic model of quantum computation whereby the Hamiltonian of a set of interacting qubits is changed adiabatically so that its ground state evolves to the desired output of the algorithm. We employ the ``Rydberg blockade interaction,'' which previously has been used to implement two-qubit entangling gates in the quantum circuit model. Here it is employed via off-resonant virtual dressing of the excited levels, so that atoms always remain in the ground state. The resulting dressed-Rydberg interaction is insensitive to the distance between the atoms within a certain blockade radius, making this process robust to temperature and vibrational fluctuations. Single qubit interactions are implemented with global microwaves and atoms are locally addressed with light shifts. With these ingredients, we study a protocol to implement the two-qubit Quadratic Unconstrained Binary Optimization (QUBO) problem. We model atom trapping, addressing, coherent evolution, and decoherence. We also explore collective control of the many-atom system and generalize the QUBO problem to multiple qubits. We acknowledge funding from the AQUARIUS project, Sandia National Laboratories

Energetic neutral atom emissions from Titan interaction with Saturn's magnetosphere.

PubMed

Mitchell, D G; Brandt, P C; Roelof, E C; Dandouras, J; Krimigis, S M; Mauk, B H

2005-05-13

The Cassini Magnetospheric Imaging Instrument (MIMI) observed the interaction of Saturn's largest moon, Titan, with Saturn's magnetosphere during two close flybys of Titan on 26 October and 13 December 2004. The MIMI Ion and Neutral Camera (INCA) continuously imaged the energetic neutral atoms (ENAs) generated by charge exchange reactions between the energetic, singly ionized trapped magnetospheric ions and the outer atmosphere, or exosphere, of Titan. The images reveal a halo of variable ENA emission about Titan's nearly collisionless outer atmosphere that fades at larger distances as the exospheric density decays exponentially. The altitude of the emissions varies, and they are not symmetrical about the moon, reflecting the complexity of the interactions between Titan's upper atmosphere and Saturn's space environment.

Cosmic-rays, gas, and dust in nearby anticentre clouds. II. Interstellar phase transitions and the dark neutral medium

NASA Astrophysics Data System (ADS)

Remy, Q.; Grenier, I. A.; Marshall, D. J.; Casandjian, J. M.

2018-03-01

Aim. H I 21-cm and 12CO 2.6-mm line emissions trace the atomic and molecular gas phases, respectively, but they miss most of the opaque H I and diffuse H2 present in the dark neutral medium (DNM) at the transition between the H I-bright and CO-bright regions. Jointly probing H I, CO, and DNM gas, we aim to constrain the threshold of the H I-H2 transition in visual extinction, AV, and in total hydrogen column densities, NHtot. We also aim to measure gas mass fractions in the different phases and to test their relation to cloud properties. Methods: We have used dust optical depth measurements at 353 GHz, γ-ray maps at GeV energies, and H I and CO line data to trace the gas column densities and map the DNM in nearby clouds toward the Galactic anticentre and Chamaeleon regions. We have selected a subset of 15 individual clouds, from diffuse to star-forming structures, in order to study the different phases across each cloud and to probe changes from cloud to cloud. Results: The atomic fraction of the total hydrogen column density is observed to decrease in the (0.6-1) × 1021 cm-2 range in NHtot (AV ≈ 0.4 mag) because of the formation of H2 molecules. The onset of detectable CO intensities varies by only a factor of 4 from cloud to cloud, between 0.6 × 1021 cm-2 and 2.5 × 1021 cm-2 in total gas column density. We observe larger H2 column densities than linearly inferred from the CO intensities at AV > 3 mag because of the large CO optical thickness; the additional H2 mass in this regime represents on average 20% of the CO-inferred molecular mass. In the DNM envelopes, we find that the fraction of diffuse CO-dark H2 in the molecular column densities decreases with increasing AV in a cloud. For a half molecular DNM, the fraction decreases from more than 80% at 0.4 mag to less than 20% beyond 2 mag. In mass, the DNM fraction varies with the cloud properties. Clouds with low peak CO intensities exhibit large CO-dark H2 fractions in molecular mass, in particular the diffuse clouds lying at high altitude above the Galactic plane. The mass present in the DNM envelopes appears to scale with the molecular mass seen in CO as MHDNM = 62 ± 7 MH2CO0.51 ± 0.02 across two decades in mass. Conclusions: The phase transitions in these clouds show both common trends and environmental differences. These findings will help support the theoretical modelling of H2 formation and the precise tracing of H2 in the interstellar medium.

Diffusion anisotropy of poor metal solute atoms in hcp-Ti

DOE Office of Scientific and Technical Information (OSTI.GOV)

Scotti, Lucia, E-mail: lxs234@bham.ac.uk; Mottura, Alessandro, E-mail: a.mottura@bham.ac.uk

2015-05-28

Atom migration mechanisms influence a wide range of phenomena: solidification kinetics, phase equilibria, oxidation kinetics, precipitation of phases, and high-temperature deformation. In particular, solute diffusion mechanisms in α-Ti alloys can help explain their excellent high-temperature behaviour. The purpose of this work is to study self- and solute diffusion in hexagonal close-packed (hcp)-Ti, and its anisotropy, from first-principles using the 8-frequency model. The calculated diffusion coefficients show that diffusion energy barriers depend more on bonding characteristics of the solute rather than the size misfit with the host, while the extreme diffusion anisotropy of some solute elements in hcp-Ti is a resultmore » of the bond angle distortion.« less

Radial and azimuthal distribution of Io's oxygen neutral cloud observed by Hisaki/EXCEED

NASA Astrophysics Data System (ADS)

Koga, R.; Tsuchiya, F.; Kagitani, M.; Sakanoi, T.; Yoneda, M.; Yoshikawa, I.; Yoshioka, K.; Murakami, G.; Yamazaki, A.; Kimura, T.; Smith, H. T.

2017-12-01

We report the spatial distributions of oxygen neural cloud surrounding Jupiter's moon Io and along Io's orbit observed by the HISAKI satellite. Atomic oxygen and sulfur in Io's atmosphere escape from the exobase and move to corona (< 5.8 Io radii, the boundary where Jupiter's gravity begins to dominate) and neutral clouds (> 5.8 Io radii) mainly due to atmospheric sputtering. Io plasma torus is formed by ionization of these atoms by electron impact and charge exchange processes. It is essential to examine the dominant source of Io plasma torus, particularly in the vicinity of Io (<5.8 Io radii; atmosphere and corona) or the region away from Io (>5.8 Io radii; extended neutral clouds). The spatial distribution of oxygen and sulfur neutral clouds is important to understand the source. The extreme ultraviolet spectrometer called EXCEED (Extreme Ultraviolet Spectroscope for Exospheric Dynamics) installed on the Hisaki satellite observed Io plasma torus continuously in 2014-2015, and we carried out the monitoring of the distribution of atomic oxygen emission at 130.4 nm. The emission averaged over the distance range of 4.5-6.5 Jovian radii on the dawn and dusk sides strongly depends on the Io phase angle (IPA), and has a emission peak between IPA of 60-90 degrees on the dawn side, and between 240-270 degrees on the dusk side, respectively. It also shows the asymmetry with respect to Io's position: the intensity averaged for IPA 60-90 degrees (13.3 Rayleighs (R)) is 1.2 times greater than that for IPA 90-120 degrees (11.1 R) on the dawn side. The similar tendency is found on the dusk side. Weak atomic oxygen emission (4 R) uniformly distributes in every IPA. We also examined the radial distribution of the oxygen neutral cloud during the same period and found the emission peak near Io's orbit with decreasing the intensity toward 8.0 Jupiter radii. The results show the high density component of the oxygen neutral cloud is concentrated around Io and extends mainly toward leading side of Io. In addition, the low density neutrals uniformly exist along Io's orbit. Both components extend radially outward up to 8 Jovian radii with decreasing the density. In the presentation, we give the estimation of spatial distribution of oxygen neutral density and the oxygen ion source rate in the Io plasma torus.

The diffuse interstellar bands: a tracer for organics in the diffuse interstellar medium?

NASA Technical Reports Server (NTRS)

Salama, F.

1998-01-01

The diffuse interstellar bands (DIBs) are absorption bands seen in the spectra of stars obscured by interstellar dust. DIBs are recognized as a tracer for free, organic molecules in the diffuse interstellar medium (ISM). The potential molecular carriers for the DIBs are discussed with an emphasis on neutral and ionized polycyclic aromatic hydrocarbons (PAHs) for which the most focused effort has been made to date. From the combined astronomical, laboratory and theoretical study, it is concluded that a distribution of free neutral and ionized complex organics (PAHs, fullerenes, unsaturated hydrocarbons) represents the most promising class of candidates to account for the DIBs. The case for aromatic hydrocarbons appears particularly strong. The implied widespread distribution of complex organics in the diffuse ISM bears profound implications for our understanding of the chemical complexity of the ISM, the evolution of prebiotic molecules and its impact on the origin and the evolution of life on early Earth through the exogenous delivery (cometary encounters and metoritic bombardments) of prebiotic organics.

Diffusion and phase change characterization by mass spectrometry

NASA Technical Reports Server (NTRS)

Koslin, M. E.; White, F. A.

1979-01-01

The high temperature diffusion of trace elements in metals and alloys was investigated. Measurements were made by high sensitivity mass spectrometry in which individual atoms were detected, and quantitative data was obtained for zircaloy-2, 304 stainless steel, and tantalum. Additionally, a mass spectrometer was also an analytical tool for determining an allotropic phase change for stainless steel at 955 C, and a phase transition region between 772 C and 1072 C existing for zircaloy-2. Diffusion rates were measured in thin (0.001" (0.0025 cm) and 0.0005" (0.0013 cm)) ribbons which were designed as high temperature thermal ion sources, with the alkali metals as naturally occurring impurities. In the temperature and pressure regime where diffusion measurements were made, the solute atoms evaporated from the ribbon filaments when the impurities diffused to the surface, with a fraction of these impurity atoms ionized according to the Langmuir-Saha relation. The techniques developed can be applied to many other alloys important to space vehicles and supersonic transports; and, with appropriate modifications, to the diffusion of impurities in composites.

Mechanisms of boron diffusion in silicon and germanium

NASA Astrophysics Data System (ADS)

Mirabella, S.; De Salvador, D.; Napolitani, E.; Bruno, E.; Priolo, F.

2013-01-01

B migration in Si and Ge matrices raised a vast attention because of its influence on the production of confined, highly p-doped regions, as required by the miniaturization trend. In this scenario, the diffusion of B atoms can take place under severe conditions, often concomitant, such as very large concentration gradients, non-equilibrium point defect density, amorphous-crystalline transition, extrinsic doping level, co-doping, B clusters formation and dissolution, ultra-short high-temperature annealing. In this paper, we review a large amount of experimental work and present our current understanding of the B diffusion mechanism, disentangling concomitant effects and describing the underlying physics. Whatever the matrix, B migration in amorphous (α-) or crystalline (c-) Si, or c-Ge is revealed to be an indirect process, activated by point defects of the hosting medium. In α-Si in the 450-650 °C range, B diffusivity is 5 orders of magnitude higher than in c-Si, with a transient longer than the typical amorphous relaxation time. A quick B precipitation is also evidenced for concentrations larger than 2 × 1020 B/cm3. B migration in α-Si occurs with the creation of a metastable mobile B, jumping between adjacent sites, stimulated by dangling bonds of α-Si whose density is enhanced by B itself (larger B density causes higher B diffusivity). Similar activation energies for migration of B atoms (3.0 eV) and of dangling bonds (2.6 eV) have been extracted. In c-Si, B diffusion is largely affected by the Fermi level position, occurring through the interaction between the negatively charged substitutional B and a self-interstitial (I) in the neutral or doubly positively charged state, if under intrinsic or extrinsic (p-type doping) conditions, respectively. After charge exchanges, the migrating, uncharged BI pair is formed. Under high n-type doping conditions, B diffusion occurs also through the negatively charged BI pair, even if the migration is depressed by Coulomb pairing with n-type dopants. The interplay between B clustering and migration is also modeled, since B diffusion is greatly affected by precipitation. Small (below 1 nm) and relatively large (5-10 nm in size) BI clusters have been identified with different energy barriers for thermal dissolution (3.6 or 4.8 eV, respectively). In c-Ge, B motion is by far less evident than in c-Si, even if the migration mechanism is revealed to be similarly assisted by Is. If Is density is increased well above the equilibrium (as during ion irradiation), B diffusion occurs up to quite large extents and also at relatively low temperatures, disclosing the underlying mechanism. The lower B diffusivity and the larger activation barrier (4.65 eV, rather than 3.45 eV in c-Si) can be explained by the intrinsic shortage of Is in Ge and by their large formation energy. B diffusion can be strongly enhanced with a proper point defect engineering, as achieved with embedded GeO2 nanoclusters, causing at 650 °C a large Is supersaturation. These aspects of B diffusion are presented and discussed, modeling the key role of point defects in the two different matrices.

Reassessment of Atomic Mobilities in fcc Cu-Ag-Sn System Aiming at Establishment of an Atomic Mobility Database in Sn-Ag-Cu-In-Sb-Bi-Pb Solder Alloys

NASA Astrophysics Data System (ADS)

Xu, Huixia; Zhang, Lijun; Cheng, Kaiming; Chen, Weimin; Du, Yong

2017-04-01

To establish an accurate atomic mobility database in solder alloys, a reassessment of atomic mobilities in the fcc (face centered cubic) Cu-Ag-Sn system was performed as reported in the present work. The work entailed initial preparation of three fcc Cu-Sn diffusion couples, which were used to determine the composition-dependent interdiffusivities at 873 K, 923 K, and 973 K, to validate the literature data and provide new experimental data at low temperatures. Then, atomic mobilities in three boundary binaries, fcc Cu-Sn, fcc Ag-Sn, and fcc Cu-Ag, were updated based on the data for various experimental diffusivities obtained from the literature and the present work, together with the available thermodynamic database for solder alloys. Finally, based on the large number of interdiffusivities recently measured from the present authors, atomic mobilities in the fcc Cu-Ag-Sn ternary system were carefully evaluated. A comprehensive comparison between various calculated/model-predicted diffusion properties and the experimental data was used to validate the reliability of the obtained atomic mobilities in ternary fcc Cu-Ag-Sn alloys.

Hylleraas-Configuration Interaction study of the 1S ground state of the negative Li ion.

PubMed

Sims, James S

2017-12-28

In a previous work Sims and Hagstrom [J. Chem. Phys. 140, 224312 (2014)] reported Hylleraas-Configuration Interaction (Hy-CI) method variational calculations for the neutral atom and positive ion 1 S ground states of the beryllium isoelectronic sequence. The Li - ion, nominally the first member of this series, has a decidedly different electronic structure. This paper reports the results of a large, comparable calculation for the Li - ground state to explore how well the Hy-CI method can represent the more diffuse L shell of Li - which is representative of the Be(2sns) excited states as well. The best non-relativistic energy obtained was -7.500 776 596 hartree, indicating that 10 - 20 nh accuracy is attainable in Hy-CI and that convergence of the r 12 r 34 double cusp is fast and that this correlation type can be accurately represented within the Hy-CI model.

Neutral gas temperature estimates and metastable resonance energy transfer for argon-nitrogen discharges

DOE Office of Scientific and Technical Information (OSTI.GOV)

Greig, A., E-mail: amelia.greig@anu.edu.au; Charles, C.; Boswell, R. W.

2016-01-15

Rovibrational spectroscopy band fitting of the nitrogen (N{sub 2}) second positive system is a technique used to estimate the neutral gas temperature of N{sub 2} discharges, or atomic discharges with trace amounts of a N{sub 2} added. For mixtures involving argon and N{sub 2}, resonant energy transfer between argon metastable atoms (Ar*) and N{sub 2} molecules may affect gas temperature estimates made using the second positive system. The effect of Ar* resonance energy transfer is investigated here by analyzing neutral gas temperatures of argon-N{sub 2} mixtures, for N{sub 2} percentages from 1% to 100%. Neutral gas temperature estimates are highermore » than expected for mixtures involving greater than 5% N{sub 2} addition, but are reasonable for argon with less than 5% N{sub 2} addition when compared with an analytic model for ion-neutral charge exchange collisional heating. Additional spatiotemporal investigations into neutral gas temperature estimates with 10% N{sub 2} addition demonstrate that although absolute temperature values may be affected by Ar* resonant energy transfer, spatiotemporal trends may still be used to accurately diagnose the discharge.« less

Excess oxygen limited diffusion and precipitation of iron in amorphous silicon dioxide

NASA Astrophysics Data System (ADS)

Leveneur, J.; Langlois, M.; Kennedy, J.; Metson, James B.

2017-10-01

In micro- and nano- electronic device fabrication, and particularly 3D designs, the diffusion of a metal into sublayers during annealing needs to be minimized as it is usually detrimental to device performance. Diffusion also causes the formation and growth of nanoprecipitates in solid matrices. In this paper, the diffusion behavior of low energy, low fluence, ion implanted iron into a thermally grown silicon oxide layer on silicon is investigated. Different ion beam analysis and imaging techniques were used. Magnetization measurements were also undertaken to provide evidence of nanocrystalline ordering. While standard vacuum furnace annealing and electron beam annealing lead to fast diffusion of the implanted species towards the Si/SiO2 interface, we show that furnace annealing in an oxygen rich atmosphere prevents the diffusion of iron that, in turn, limits the growth of the nanoparticles. The diffusion and particle growth is also greatly reduced when oxygen atoms are implanted in the SiO2 prior to Fe implantation, effectively acting as a diffusion barrier. The excess oxygen is hypothesized to trap Fe atoms and reduce their mean free path during the diffusion. Monte-Carlo simulations of the diffusion process which consider the random walk of Fe, Fick's diffusion of O atoms, Fe precipitation, and desorption of the SiO2 layer under the electron beam annealing were performed. Simulation results for the three preparation conditions are found in good agreement with the experimental data.

On charge exchange and knock-on processes in the exosphere of Io

NASA Technical Reports Server (NTRS)

Ip, W.-H.

1982-01-01

One direct consequence of magnetospheric interaction of Io is the strong dynamical coupling of its neutral atmosphere with the corotating plasma. The absorption of the thermal ions and the associated neutral injection is an improtant issue not yet explored. As far as nonthermal escape of the neutral atmosphere is concerned, three processes stand out. That is, apart from sputtering, exospheric interactions like atom-ion knock-on collision and charge exchange recombination could be a significant source of the neutral clouds in the Jovian system. Using a current electrodynamic model of Io, both the absorption rate of the corotating thermal plasma and the production rates of new exospheric ions and the fast neutrals are considered. It is found that the source strength of the neutral atoms and molecules with speeds of about 100 km/sec could amount to 10 to the 26th/sec whereas exospheric neutrals emitted at lower speed (of about 10 km/sec) amounts to 4 x 10 to the 25th/sec. The generation of the new ions in connection with the streaming of the magnetospheric plasma around Io could also produce an asymmetric sputtering with a neutral flux of about 10 to the 27th/sec emitted from the region of Io which faces Jupiter. These results may be related to a number of sodium observations.

The effect of the neutral sheet structure of the interplanetary magnetic field on cosmic ray distribution in space

NASA Technical Reports Server (NTRS)

Alania, M. V.; Aslamazashvili, R. G.; Bochorishvili, T.; Djapiashvili, T. V.; Tkemaladze, V. S.

1985-01-01

Results of the numerical solution of the anistoropic diffusion equation are presented. The modulation depth of galactic cosmic rays is defined by the degree of curvature of the neutral current sheet in the heliosphere. The effect of the regular interplanetary magnetic field (IMF) on cosmic ray anisotropy in the period of solar activity minimum (in 1976) is analyzed by the data of the neutron super-monitors of the world network, and the heliolatitudinal gradient and cosmic ray diffusion coefficient are defined.

Barrier mechanism of multilayers graphene coated copper against atomic oxygen irradiation

NASA Astrophysics Data System (ADS)

Zhang, Haijing; Ren, Siming; Pu, Jibin; Xue, Qunji

2018-06-01

Graphene has been demonstrated as a protective coating for Cu under ambient condition because of its high impermeability and light-weight oxidation barrier. However, it lacks the research of graphene as a protective coating in space environment. Here, we experimentally and theoretically study the oxidation behavior of graphene-coated Cu in vacuum atomic oxygen (AO) condition. After AO irradiation, the experimental results show multilayer graphene has better anti-oxidation than monolayer graphene. Meanwhile, the calculation results show the oxidation appeared on the graphene's grain boundaries or the film's vacancy defects for the monolayer graphene coated Cu foil. Moreover, the calculation results show the oxidation process proceeds slowly in multilayers because of the matched defects overlaps each other to form a steric hindrance to suppress the O atom diffusion in the vertical direction, and the mismatched defects generates potential energy barriers for interlayer to suppress the O atom diffusion in the horizontal direction. Hence, multilayer graphene films could serve as protection coatings to prevent diffusion of O atom.

A Novel Gravito-Optical Surface Trap for Neutral Atoms

NASA Astrophysics Data System (ADS)

Xie, Chun-Xia; Wang, Zhengling; Yin, Jian-Ping

2006-04-01

We propose a novel gravito-optical surface trap (GOST) for neutral atoms based on one-dimensional intensity gradient cooling. The surface optical trap is composed of a blue-detuned reduced semi-Gaussian laser beam (SGB), a far-blue-detuned dark hollow beam and the gravity field. The SGB is produced by the diffraction of a collimated Gaussian laser beam passing through the straight edge of a semi-infinite opaque plate and then is reduced by an imaging lens. We calculate the intensity distribution of the reduced SGB, and study the dynamic process of the SGB intensity-gradient induced Sisyphus cooling for 87Rb atoms by using Monte Carlo simulations. Our study shows that the proposed GOST can be used not only to trap cold atoms loaded from a standard magneto-optical trap, but also to cool the trapped atoms to an equilibrium temperature of 3.47 μK from ~120 μK, even to realize an all-optical two-dimensional Bose-Einstein condensation by using optical-potential evaporative cooling.

Measuring the dynamic polarizability of tungsten atom via electrical wire explosion in vacuum

NASA Astrophysics Data System (ADS)

Shi, Huantong; Zou, Xiaobing; Wang, Xinxin

2018-02-01

Electrical explosion of wire provides a practical approach to the experimental measurement of dynamic polarizability of metal atoms with high melting and boiling temperatures. With the help of insulation coating, a section of tungsten wire was transformed to the plasma state while the near electrode region was partially vaporized, which enabled us to locate the "neutral-region" (consisting of gaseous atoms) in the Mach-Zehnder interferogram. In this paper, the polarizability of the tungsten atom at 532 nm was reconstructed based on a technique previously used for the same purpose, and the basic preconditions of the measurement were verified in detail, including the existence of the neutral region, conservation of linear density of tungsten during wire expansion, and neglect of the vaporized insulation coating. The typical imaging time varied from 80 ns to as late as 200 ns and the reconstructed polarizability of the tungsten atom was 16 ± 1 Å3, which showed good statistical consistency and was also in good agreement with the previous results.

Photon-Mediated Quantum Gate between Two Neutral Atoms in an Optical Cavity

NASA Astrophysics Data System (ADS)

Welte, Stephan; Hacker, Bastian; Daiss, Severin; Ritter, Stephan; Rempe, Gerhard

2018-02-01

Quantum logic gates are fundamental building blocks of quantum computers. Their integration into quantum networks requires strong qubit coupling to network channels, as can be realized with neutral atoms and optical photons in cavity quantum electrodynamics. Here we demonstrate that the long-range interaction mediated by a flying photon performs a gate between two stationary atoms inside an optical cavity from which the photon is reflected. This single step executes the gate in 2 μ s . We show an entangling operation between the two atoms by generating a Bell state with 76(2)% fidelity. The gate also operates as a cnot. We demonstrate 74.1(1.6)% overlap between the observed and the ideal gate output, limited by the state preparation fidelity of 80.2(0.8)%. As the atoms are efficiently connected to a photonic channel, our gate paves the way towards quantum networking with multiqubit nodes and the distribution of entanglement in repeater-based long-distance quantum networks.

Investigation on the neutral and anionic BxAlyH2 (x + y = 7, 8, 9) clusters using density functional theory combined with photoelectron spectroscopy.

PubMed

Ding, Li-Ping; Shao, Peng; Lu, Cheng; Zhang, Fang-Hui; Ding, Lei; Yuan, Tao Li

2016-08-17

The structure and bonding nature of neutral and negatively charged BxAlyH2 (x + y = 7, 8, 9) clusters are investigated with the aid of previously published experimental photoelectron spectra combined with the present density functional theory calculations. The comparison between the experimental photoelectron spectra and theoretical simulated spectra helps to identify the ground state structures. The accuracy of the obtained ground state structures is further verified by calculating their adiabatic electron affinities and vertical detachment energies and comparing them against available experimental data. The results show that the structures of BxAlyH2 transform from three-dimensional to planar structures as the number of boron atoms increases. Moreover, boron atoms tend to bind together forming Bn units. The hydrogen atoms prefer to bind with boron atoms rather than aluminum atoms. The analyses of the molecular orbital on the ground state structures further support the abovementioned results.

Robust quantum logic in neutral atoms via adiabatic Rydberg dressing

DOE PAGES

Keating, Tyler; Cook, Robert L.; Hankin, Aaron M.; ...

2015-01-28

We study a scheme for implementing a controlled-Z (CZ) gate between two neutral-atom qubits based on the Rydberg blockade mechanism in a manner that is robust to errors caused by atomic motion. By employing adiabatic dressing of the ground electronic state, we can protect the gate from decoherence due to random phase errors that typically arise because of atomic thermal motion. In addition, the adiabatic protocol allows for a Doppler-free configuration that involves counterpropagating lasers in a σ +/σ - orthogonal polarization geometry that further reduces motional errors due to Doppler shifts. The residual motional error is dominated by dipole-dipolemore » forces acting on doubly-excited Rydberg atoms when the blockade is imperfect. As a result, for reasonable parameters, with qubits encoded into the clock states of 133Cs, we predict that our protocol could produce a CZ gate in < 10 μs with error probability on the order of 10 -3.« less

Surface hydration amplifies single-well protein atom diffusion propagating into the macromolecular core

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hong, Liang; Cheng, Xiaolin; Glass, Dennis C.

2012-06-05

The effect of surface hydration water on internal protein motion is of fundamental interest in molecular biophysics. Here, by decomposing the picosecond to nanosecond atomic motion in molecular dynamics simulations of lysozyme at different hydration levels into three components localized single-well diffusion, methyl group rotation, and nonmethyl jumps we show that the effect of surface hydration is mainly to increase the volume of the localized single-well diffusion. As a result, these diffusive motions are coupled in such a way that the hydration effect propagates from the protein surface into the dry core.

SERENA: A suite of four instruments (ELENA, STROFIO, PICAM and MIPA) on board BepiColombo-MPO for particle detection in the Hermean environment

NASA Astrophysics Data System (ADS)

Orsini, S.; Livi, S.; Torkar, K.; Barabash, S.; Milillo, A.; Wurz, P.; di Lellis, A. M.; Kallio, E.; The Serena Team

2010-01-01

'Search for Exospheric Refilling and Emitted Natural Abundances' (SERENA) is an instrument package that will fly on board the BepiColombo/Mercury Planetary Orbiter (MPO). It will investigate Mercury's complex particle environment that is composed of thermal and directional neutral atoms (exosphere) caused by surface release and charge-exchange processes, and of ionized particles caused by photo-ionization of neutrals as well by charge exchange and surface release processes. In order to investigate the structure and dynamics of the environment, an in-situ analysis of the key neutral and charged components is necessary, and for this purpose the SERENA instrument shall include four units: two neutral particle analyzers (Emitted Low Energy Neutral Atoms (ELENA) sensor and Start from a Rotating FIeld mass spectrometer (STROFIO)) and two ion spectrometers (Miniature Ion Precipitation Analyzer (MIPA) and Planetary Ion Camera (PICAM)). The scientific merits of SERENA are presented, and the basic characteristics of the four units are described, with a focus on novel technological aspects.

Investigation of neutral particle dynamics in Aditya tokamak plasma with DEGAS2 code

NASA Astrophysics Data System (ADS)

Dey, Ritu; Ghosh, Joydeep; Chowdhuri, M. B.; Manchanda, R.; Banerjee, S.; Ramaiya, N.; Sharma, Deepti; Srinivasan, R.; Stotler, D. P.; Aditya Team

2017-08-01

Neutral particle behavior in Aditya tokamak, which has a circular poloidal ring limiter at one particular toroidal location, has been investigated using DEGAS2 code. The code is based on the calculation using Monte Carlo algorithms and is mainly used in tokamaks with divertor configuration. This code has been successfully implemented in Aditya tokamak with limiter configuration. The penetration of neutral hydrogen atom is studied with various atomic and molecular contributions and it is found that the maximum contribution comes from the dissociation processes. For the same, H α spectrum is also simulated and matched with the experimental one. The dominant contribution around 64% comes from molecular dissociation processes and neutral particle is generated by those processes have energy of ~2.0 eV. Furthermore, the variation of neutral hydrogen density and H α emissivity profile are analysed for various edge temperature profiles and found that there is not much changes in H α emission at the plasma edge with the variation of edge temperature (7-40 eV).

Investigation of neutral particle dynamics in Aditya tokamak plasma with DEGAS2 code

DOE PAGES

Dey, Ritu; Ghosh, Joydeep; Chowdhuri, M. B.; ...

2017-06-09

Neutral particle behavior in Aditya tokamak, which has a circular poloidal ring limiter at one particular toroidal location, has been investigated using DEGAS2 code. The code is based on the calculation using Monte Carlo algorithms and is mainly used in tokamaks with divertor configuration. This code has been successfully implemented in Aditya tokamak with limiter configuration. The penetration of neutral hydrogen atom is studied with various atomic and molecular contributions and it is found that the maximum contribution comes from the dissociation processes. For the same, H α spectrum is also simulated which was matched with the experimental one. Themore » dominant contribution around 64% comes from molecular dissociation processes and neutral particle is generated by those processes have energy of ~ 2.0 eV. Furthermore, the variation of neutral hydrogen density and H α emissivity profile are analysed for various edge temperature profiles and found that there is not much changes in H α emission at the plasma edge with the variation of edge temperature (7 to 40 eV).« less

Interdiffusion, Intrinsic Diffusion, Atomic Mobility, and Vacancy Wind Effect in γ(bcc) Uranium-Molybdenum Alloy

NASA Astrophysics Data System (ADS)

Huang, Ke; Keiser, Dennis D.; Sohn, Yongho

2013-02-01

U-Mo alloys are being developed as low enrichment uranium fuels under the Reduced Enrichment for Research and Test Reactor (RERTR) Program. In order to understand the fundamental diffusion behavior of this system, solid-to-solid pure U vs Mo diffusion couples were assembled and annealed at 923 K, 973 K, 1073 K, 1173 K, and 1273 K (650 °C, 700 °C, 800 °C, 900 °C, and 1000 °C) for various times. The interdiffusion microstructures and concentration profiles were examined via scanning electron microscopy and electron probe microanalysis, respectively. As the Mo concentration increased from 2 to 26 at. pct, the interdiffusion coefficient decreased, while the activation energy increased. A Kirkendall marker plane was clearly identified in each diffusion couple and utilized to determine intrinsic diffusion coefficients. Uranium intrinsically diffused 5-10 times faster than Mo. Molar excess Gibbs free energy of U-Mo alloy was applied to calculate the thermodynamic factor using ideal, regular, and subregular solution models. Based on the intrinsic diffusion coefficients and thermodynamic factors, Manning's formalism was used to calculate the tracer diffusion coefficients, atomic mobilities, and vacancy wind parameters of U and Mo at the marker composition. The tracer diffusion coefficients and atomic mobilities of U were about five times larger than those of Mo, and the vacancy wind effect increased the intrinsic flux of U by approximately 30 pct.

Putting atomic diffusion theory of magnetic ApBp stars to the test: evaluation of the predictions of time-dependent diffusion models

NASA Astrophysics Data System (ADS)

Kochukhov, O.; Ryabchikova, T. A.

2018-02-01

A series of recent theoretical atomic diffusion studies has address the challenging problem of predicting inhomogeneous vertical and horizontal chemical element distributions in the atmospheres of magnetic ApBp stars. Here we critically assess the most sophisticated of such diffusion models - based on a time-dependent treatment of the atomic diffusion in a magnetized stellar atmosphere - by direct comparison with observations as well by testing the widely used surface mapping tools with the spectral line profiles predicted by this theory. We show that the mean abundances of Fe and Cr are grossly underestimated by the time-dependent theoretical diffusion model, with discrepancies reaching a factor of 1000 for Cr. We also demonstrate that Doppler imaging inversion codes, based either on modelling of individual metal lines or line-averaged profiles simulated according to theoretical three-dimensional abundance distribution, are able to reconstruct correct horizontal chemical spot maps despite ignoring the vertical abundance variation. These numerical experiments justify a direct comparison of the empirical two-dimensional Doppler maps with theoretical diffusion calculations. This comparison is generally unfavourable for the current diffusion theory, as very few chemical elements are observed to form overabundance rings in the horizontal field regions as predicted by the theory and there are numerous examples of element accumulations in the vicinity of radial field zones, which cannot be explained by diffusion calculations.

Vecksler-Macmillan phase stability for neutral atoms accelerated by a laser beam

NASA Astrophysics Data System (ADS)

Mel'nikov, I. V.; Haus, J. W.; Kazansky, P. G.

2003-05-01

We use a Fokker-Planck equation to study the phenomenon of accelerating a neutral atom bunch by a chirped optical beam. This method enables us to obtain a semi-analytical solution to the problem in which a wide range of parameters can be studied. In addition it provides a simple physical interpretation where the problem is reduced to an analogous problem of charged particles accelerators, that is, the Vecksler-Macmillan principle of phase stability. A possible experimental scenario is suggested, which uses a photonic crystal fiber as the guiding medium.

Adiabatic Quantum Computation with Neutral Cesium

NASA Astrophysics Data System (ADS)

Hankin, Aaron; Parazzoli, L.; Chou, Chin-Wen; Jau, Yuan-Yu; Burns, George; Young, Amber; Kemme, Shanalyn; Ferdinand, Andrew; Biedermann, Grant; Landahl, Andrew; Ivan H. Deutsch Collaboration; Mark Saffman Collaboration

2013-05-01

We are implementing a new platform for adiabatic quantum computation (AQC) based on trapped neutral atoms whose coupling is mediated by the dipole-dipole interactions of Rydberg states. Ground state cesium atoms are dressed by laser fields in a manner conditional on the Rydberg blockade mechanism, thereby providing the requisite entangling interactions. As a benchmark we study a Quadratic Unconstrained Binary Optimization (QUBO) problem whose solution is found in the ground state spin configuration of an Ising-like model. University of New Mexico: Ivan H. Deutsch, Tyler Keating, Krittika Goyal.

Measurement of visible and UV emission from Energetic Neutral Atom Precipitation (ENAP), on Spacelab

NASA Technical Reports Server (NTRS)

Tinsley, B. A.

1980-01-01

The charge exchange of plasmaspheric ions and exospheric H and O and of solar wind ions with exospheric and interplanetary H are sources of precipitating neutrals whose faint emission may be observed by the imaging spectrometric observatory during dark periods of the SL-1 orbit. Measurements of the interactions of these precipitating atoms with the thermosphere are needed to evaluate the heating and ionization effects on the atmosphere as well as the selective loss of i energetic ions from the sources (predominantly the ring current).

Clustering on Magnesium Surfaces – Formation and Diffusion Energies

DOE PAGES

Chu, Haijian; Huang, Hanchen; Wang, Jian

2017-07-12

The formation and diffusion energies of atomic clusters on Mg surfaces determine the surface roughness and formation of faulted structure, which in turn affect the mechanical deformation of Mg. This paper reports first principles density function theory (DFT) based quantum mechanics calculation results of atomic clustering on the low energy surfaces {0001} and {more » $$\\bar{1}$$011} . In parallel, molecular statics calculations serve to test the validity of two interatomic potentials and to extend the scope of the DFT studies. On a {0001} surface, a compact cluster consisting of few than three atoms energetically prefers a face-centered-cubic stacking, to serve as a nucleus of stacking fault. On a {$$\\bar{1}$$011} , clusters of any size always prefer hexagonal-close-packed stacking. Adatom diffusion on surface {$$\\bar{1}$$011} is high anisotropic while isotropic on surface (0001). Three-dimensional Ehrlich–Schwoebel barriers converge as the step height is three atomic layers or thicker. FInally, adatom diffusion along steps is via hopping mechanism, and that down steps is via exchange mechanism.« less

Clustering on Magnesium Surfaces – Formation and Diffusion Energies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chu, Haijian; Huang, Hanchen; Wang, Jian

The formation and diffusion energies of atomic clusters on Mg surfaces determine the surface roughness and formation of faulted structure, which in turn affect the mechanical deformation of Mg. This paper reports first principles density function theory (DFT) based quantum mechanics calculation results of atomic clustering on the low energy surfaces {0001} and {more » $$\\bar{1}$$011} . In parallel, molecular statics calculations serve to test the validity of two interatomic potentials and to extend the scope of the DFT studies. On a {0001} surface, a compact cluster consisting of few than three atoms energetically prefers a face-centered-cubic stacking, to serve as a nucleus of stacking fault. On a {$$\\bar{1}$$011} , clusters of any size always prefer hexagonal-close-packed stacking. Adatom diffusion on surface {$$\\bar{1}$$011} is high anisotropic while isotropic on surface (0001). Three-dimensional Ehrlich–Schwoebel barriers converge as the step height is three atomic layers or thicker. FInally, adatom diffusion along steps is via hopping mechanism, and that down steps is via exchange mechanism.« less

Optical Frequency Standards Based on Neutral Atoms and Molecules

NASA Astrophysics Data System (ADS)

Riehle, Fritz; Helmcke, Juergen

The current status and prospects of optical frequency standards based on neutral atomic and molecular absorbers are reviewed. Special attention is given to an optical frequency standard based on cold Ca atoms which are interrogated with a pulsed excitation scheme leading to resolved line structures with a quality factor Q > 10^12. The optical frequency was measured by comparison with PTB's primary clock to be νCa = 455 986 240 494.13 kHz with a total relative uncertainty of 2.5 x10^-13. After a recent recommendation of the International Committee of Weights and Measures (CIPM), this frequency standard now represents one of the most accurate realizations of the length unit.

Method to estimate the electron temperature and neutral density in a plasma from spectroscopic measurements using argon atom and ion collisional-radiative models.

PubMed

Sciamma, Ella M; Bengtson, Roger D; Rowan, W L; Keesee, Amy; Lee, Charles A; Berisford, Dan; Lee, Kevin; Gentle, K W

2008-10-01

We present a method to infer the electron temperature in argon plasmas using a collisional-radiative model for argon ions and measurements of electron density to interpret absolutely calibrated spectroscopic measurements of argon ion (Ar II) line intensities. The neutral density, and hence the degree of ionization of this plasma, can then be estimated using argon atom (Ar I) line intensities and a collisional-radiative model for argon atoms. This method has been tested for plasmas generated on two different devices at the University of Texas at Austin: the helicon experiment and the helimak experiment. We present results that show good correlation with other measurements in the plasma.

Quantitative inactivation-mechanisms of P. digitatum and A. niger spores based on atomic oxygen dose

NASA Astrophysics Data System (ADS)

Ito, Masafumi; Hashizume, Hiroshi; Ohta, Takayuki; Hori, Masaru

2014-10-01

We have investigated inactivation mechanisms of Penicillium digitatum and Asperguills niger spores using atmospheric-pressure radical source quantitatively. The radical source was specially developed for supplying only neutral radicals without charged species and UV-light emissions. Reactive oxygen radical densities such as grand-state oxygen atoms, excited-state oxygen molecules and ozone were measured using VUV and UV absorption spectroscopies. The measurements and the treatments of spores were carried out in an Ar-purged chamber for eliminating the influences of OH, NOx and so on. The results revealed that the inactivation of spores can be explained by atomic-oxygen dose under the conditions employing neutral ROS irradiations. On the basis of the dose, we have observed the changes of intracellular organelles and membrane functions using TEM, SEM and confocal- laser fluorescent microscopy. From these results, we discuss the detail inactivation-mechanisms quantitatively based on atomic-oxygen dose.

Hα line shape in front of the limiter in the HT-6M tokamak

NASA Astrophysics Data System (ADS)

Wan, Baonian; Li, Jiangang; Luo, Jiarong; Xie, Jikang; Wu, Zhenwei; Zhang, Xianmei; HT-6M Group

1999-11-01

The Hα line shape in front of the limiter in the HT-6M tokamak is analysed by multi-Gaussian fitting. The energy distribution of neutral hydrogen atoms reveals that Hα radiation is contributed by Franck-Condon atoms, atoms reflected at the limiter surface and charge exchange. Multi-Gaussian fitting of the Hα spectral profile indicates contributions of 60% from reflection particles and 40% from molecule dissociation to recycling. Ion temperatures in central regions are obtained from the spectral width of charge exchange components. Dissociation of hydrogen molecules and reflection of particles at the limiter surface are dominant in edge recycling. Reduction of particle reflection at the limiter surface is important for controlling edge recycling. The measured profiles of neutral hydrogen atom density are reproduced by a particle continuity equation and a simplified one dimensional Monte Carlo simulation code.

Atomic Physics Effects on Convergent, Child-Langmuir Ion Flow between Nearly Transparent Electrodes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Santarius, John F.; Emmert, Gilbert A.

Research during this project at the University of Wisconsin Fusion Technology Institute (UW FTI) on ion and neutral flow through an arbitrary, monotonic potential difference created by nearly transparent electrodes accomplished the following: (1) developed and implemented an integral equation approach for atomic physics effects in helium plasmas; (2) extended the analysis to coupled integral equations that treat atomic and molecular deuterium ions and neutrals; (3) implemented the key deuterium and helium atomic and molecular cross sections; (4) added negative ion production and related cross sections; and (5) benchmarked the code against experimental results. The analysis and codes treat themore » species D0, D20, D+, D2+, D3+, D and, separately at present, He0 and He+. Extensions enhanced the analysis and related computer codes to include He++ ions plus planar and cylindrical geometries.« less

A neutral molecular-based layered magnet [Fe(C2O4)(CH3OH)]n exhibiting magnetic ordering at TN approximately 23 K.

PubMed

Zhang, Bin; Zhang, Yan; Zhang, Jinbiao; Li, Junchao; Zhu, Daoben

2008-10-07

Solvothermal synthesis of FeCl(2).4H2O and H2C2O(4).2H2O in methanol at 120 degrees C yielded yellow plate-like crystals of [Fe(C2O4)(CH3OH)]n. Each iron atom is in a distorted octahedral environment, being bonded to four oxygen atoms from two bisbidentate oxalate anions, one O atom of a chelating oxalate anion and one O atom from a methanol molecule as an oxalate group bridging ligand in a five-coordination mode. The neutral layer of [Fe(C2O4)(CH3OH)]n with a [4,4] net along the ac plane. There is no interaction between layers. A long range magnetic ordering with spin canting at TN approximately 23 K was observed and confirmed by AC susceptibility measurements.

1D array of dark spot traps formed by counter-propagating nested Gaussian laser beams for trapping and moving atomic qubits

NASA Astrophysics Data System (ADS)

Gillen-Christandl, Katharina; Frazer, Travis D.

2017-04-01

The standing wave of two identical counter-propagating Gaussian laser beams constitutes a 1D array of bright spots that can serve as traps for single neutral atoms for quantum information operations. Detuning the frequency of one of the beams causes the array to start moving, effectively forming a conveyor belt for the qubits. Using a pair of nested Gaussian laser beams with different beam waists, however, forms a standing wave with a 1D array of dark spot traps confined in all dimensions. We have computationally explored the trap properties and limitations of this configuration and, trading off trap depth and frequencies with the number of traps and trap photon scattering rates, we determined the laser powers and beam waists needed for useful 1D arrays of dark spot traps for trapping and transporting atomic qubits in neutral atom quantum computing platforms.

Mutual neutralization of He{sup +} with the anions Cl{sup −}, Br{sup −}, I{sup −}, and SF{sub 6}{sup −}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wiens, Justin P.; Shuman, Nicholas S.; Miller, Thomas M.

2016-05-28

Mutual neutralization (MN) rate coefficients k{sub MN} for He{sup +} with the anions Cl{sup −}, Br{sup −}, I{sup −}, and SF{sub 6}{sup −} are reported from 300 to 500 K. The measured rate coefficients may contain a contribution from transfer ionization, i.e., double ionization of the anion. The large rate coefficient for He{sup +} + SF{sub 6}{sup −} (2.4 × 10{sup −7} cm{sup 3} s{sup −1} at 300 K) is consistent with earlier polyatomic MN results found to have a reduced mass dependence of μ{sup −1/2}. Neutralization of He{sup +} by the atomic halides follows the trend observed earlier for Ne{sup +},more » Ar{sup +}, Kr{sup +}, and Xe{sup +} neutralized by atomic halides, k{sub MN} (Cl{sup −}) < k{sub MN} (Br{sup −}) < k{sub MN} (I{sup −}). Only an upper limit could be measured for the neutralization of He{sup +} by Cl{sup −}. Predictions of the rate coefficients from a previously proposed simple model of atomic–atomic MN results are consistent with the present He{sup +}–halide rate coefficients. The temperature dependences are modestly negative for Br{sup −} and I{sup −}, while that for SF{sub 6}{sup −} is small or negligible.« less

Tunable Catalysis of Water to Peroxide with Anionic, Cationic, and Neutral Atomic Au, Ag, Pd, Rh, and Os

NASA Astrophysics Data System (ADS)

Suggs, K.; Kiros, F.; Tesfamichael, A.; Felfli, Z.; Msezane, A. Z.

2015-05-01

Fundamental anionic, cationic, and neutral atomic metal predictions utilizing density functional theory calculations validate the recent discovery identifying the interplay between Regge resonances and Ramsauer-Townsend minima obtained through complex angular momentum analysis as the fundamental atomic mechanism underlying nanoscale catalysis. Here we investigate the optimization of the catalytic behavior of Au, Ag, Pd, Rh, and Os atomic systems via polarization effects and conclude that anionic atomic systems are optimal and therefore ideal for catalyzing the oxidation of water to peroxide, with anionic Os being the best candidate. The discovery that cationic systems increase the transition energy barrier in the synthesis of peroxide could be important as inhibitors in controlling and regulating catalysis. These findings usher in a fundamental and comprehensive atomic theoretical framework for the generation of tunable catalytic systems. The ultimate aim is to design giant atomic catalysts and sensors, in the context of the recently synthesized tri-metal Ag@Au@Pt and bimetal Ag@Au nanoparticles for greatly enhanced plasmonic properties and improved chemical stability for chemical and biological sensing. Research was supported by U.S. DOE Office of Basic Energy Sciences.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schlagmüller, Michael; Liebisch, Tara Cubel; Engel, Felix

Within a dense environment (ρ ≈ 10 14 atoms/cm 3) at ultracold temperatures (T < 1 μK), a single atom excited to a Rydberg state acts as a reaction center for surrounding neutral atoms. At these temperatures, almost all neutral atoms within the Rydberg orbit are bound to the Rydberg core and interact with the Rydberg atom. We have studied the reaction rate and products for nS 87Rb Rydberg states, and we mainly observe a state change of the Rydberg electron to a high orbital angular momentum l, with the released energy being converted into kinetic energy of the Rydberg atom. Unexpectedly, the measurements show a threshold behavior at n ≈ 100 for the inelastic collision time leading to increased lifetimes of the Rydberg state independent of the densities investigated. Even at very high densities (ρ ≈ 4.8 x 10 14 cm -3), the lifetime of a Rydberg atom exceeds 10 μs at n > 140 compared to 1 μs at n = 90. In addition, a second observed reaction mechanism, namely, Rbmore » $$+\\atop{2}$$ molecule formation, was studied. Both reaction products are equally probable for n = 40, but the fraction of Rb + 2 created drops to below 10% for n ≥ 90.« less

The BepiColombo Serena/ELENA instrument: performances and testing

NASA Astrophysics Data System (ADS)

Orsini, Stefano; De Angelis, Elisabetta; Selci, Stefano; Di Lellis, Andrea; Leoni, Roberto; Rispoli, Rosanna; Colasanti, Luca; Vertolli, Nello; Mura, Alessandro; Milillo, Anna; D'Alessandro, Marco; Mattioli, Francesco; Maschietti, Daniele; Brienza, Daniele; Scheer, Juergen; Wurz, Peter

2013-04-01

The neutral sensor ELENA (Emitted Low-Energy Neutral Atoms) for the ESA cornerstone BepiColombo mission to Mercury (in the SERENA instrument package) is a new kind of low energetic neutral atoms instrument, mostly devoted to sputtering emission from planetary surfaces, from E ~20 eV up to E~5 keV, within 1-D (4.5°x76°). ELENA is a Time of Flight instrument, based on the novel concept of ultra-sonic oscillating shutter as Start section and MCP detector with 32 discrete anodes as a direct Stop section. ELENA will monitor the emission of neutral atoms from the whole surface of Mercury allowing to investigate the interaction between the environment and the planet, the global particle loss-rate and the remote sensing of the surface properties. In particular, surface release processes are investigated by identifying particles release from the surface via solar wind-induced ion sputtering (<1eV - >100 eV) as well as Hydrogen back-scattered at hundreds eV. The results of ELENA performance test, will be presented: the innovative Shutter system (Start section) operating at requested frequencies (around 43kHz), the ion rejection capability of double deflection system, the Stop detector, the electronic boards, the validation test.

On the stability of pick-up ion ring distributions in the outer heliosheath

DOE Office of Scientific and Technical Information (OSTI.GOV)

Summerlin, Errol J.; Viñas, Adolfo F.; Moore, Thomas E.

The 'secondary energetic neutral atom (ENA)' hypothesis for the ribbon feature observed by the Interstellar Boundary Explorer (IBEX) posits that the neutral component of the solar wind continues beyond the heliopause and charge exchanges with interstellar ions in the Outer Heliosheath (OHS). This creates pick-up ions that gyrate about the draped interstellar magnetic field (ISMF) lines at pitch angles near 90° on the locus where the ISMF lies tangential to the heliopause and perpendicular to the heliocentric radial direction. This location closely coincides with the location of the ribbon feature according to the prevailing inferences of the ISMF orientation andmore » draping. The locally gyrating ions undergo additional charge exchange and escape as free-flying neutral atoms, many of which travel back toward the inner solar system and are imaged by IBEX as a ribbon tracing out the locus described above. For this mechanism to succeed, the pick-up ions must diffuse in pitch angle slowly enough to permit secondary charge exchange before their pitch angle distribution substantially broadens away from 90°. Previous work using linear Vlasov dispersion analysis of parallel propagating waves has suggested that the ring distribution in the OHS is highly unstable, which, if true, would make the secondary ENA hypothesis incapable of rendering the observed ribbon. In this paper, we extend this earlier work to more realistic ring distribution functions. We find that, at the low densities necessary to produce the observed IBEX ribbon via the secondary ENA hypothesis, growth rates are highly sensitive to the temperature of the beam and that even very modest temperatures of the ring beam corresponding to beam widths of <1° are sufficient to damp the self-generated waves associated with the ring beam. Thus, at least from the perspective of linear Vlasov dispersion analysis of parallel propagating waves, there is no reason to expect that the ring distributions necessary to produce the observed IBEX ENA flux via the secondary ENA hypothesis will be unstable to their own self-generated turbulence.« less

UV-visible spectroscopy of PAHs and PAHNs in supersonic jet. Astrophysical Implications

NASA Astrophysics Data System (ADS)

Salma, Bejaoui; Salama, Farid

2017-06-01

Polycyclic Aromatic Hydrocarbon (PAHs) molecules are attracting much attention of the astrophysical and astrochemical communities since they are ubiquitous presence in space and could survive in the harsh interstellar medium (ISM). They are proposed as plausible carriers of the still unassigned diffuse interstellar bands (DIBs) for more than two decades now. The so-called PAH - DIB proposal has been based on the abundance of PAHs in the ISM and their stability against the photo and thermo dissociation. Nitrogen is one of the most abundant elements after hydrogen, helium, and carbon [1]. PANHs exhibit spectral features similar to PAHs and may also contribute to unidentified spectral bands.To prove PAHs-DIBs hypothesis, laboratory absorption spectra of aromatic under astrophysical relevant conditions are of crucial importance to compare with the observed DIBs spectra. The most challenging task is to reproduce as closely as technically possible, the physical and chemical conditions that are present in space. Interstellar PAHs are expected to be present as free, cold, neutral molecules and/or charged species [2]. In our laboratory, comparable conditions are achieved using an excellent platform developed in NASA Ames. Our cosmic simulation chamber (COSmIC) allow the measurements of gas phase spectra of neutral and ionized interstellar PAHs analogs by associating a molecular beam with an ionizing discharge to generate a cold plasma expansion (˜ 100 K) [3]. Our approach to assign PAH as carriers of some DIBs is record the electronic spectra of cold PAHs in gas phase and systematic search for a possible correspondence in astronomical DIBs spectra. We report in this work UV-visible absorption spectra of neutral PAHs and PAHNs using the cavity ring down spectroscopy (CRDS) technique. We discuss the effect of the substitution of C-H bond(s) by a nitrogen atom(s) in spectroscopic features of PAHs and their astrophysical application.[1] L. Spitzer, 1978, Physical processes in the interstellar medium. New York Wiley-Interscience[2] F. Salama, E. Bakes, L.J. Allamandola, A.G.G.M. Tielens, Astrophys. J. 458 (1996) 621[3] L. Biennier, F. Salama, L. J. Allamandola, & J. J. Scherer, (2003) J. of Chemical Physics, 118(17), 7863-7872

On the Stability of Pick-up Ion Ring Distributions in the Outer Heliosheath

NASA Astrophysics Data System (ADS)

Summerlin, Errol J.; Viñas, Adolfo F.; Moore, Thomas E.; Christian, Eric R.; Cooper, John F.

2014-10-01

The "secondary energetic neutral atom (ENA)" hypothesis for the ribbon feature observed by the Interstellar Boundary Explorer (IBEX) posits that the neutral component of the solar wind continues beyond the heliopause and charge exchanges with interstellar ions in the Outer Heliosheath (OHS). This creates pick-up ions that gyrate about the draped interstellar magnetic field (ISMF) lines at pitch angles near 90° on the locus where the ISMF lies tangential to the heliopause and perpendicular to the heliocentric radial direction. This location closely coincides with the location of the ribbon feature according to the prevailing inferences of the ISMF orientation and draping. The locally gyrating ions undergo additional charge exchange and escape as free-flying neutral atoms, many of which travel back toward the inner solar system and are imaged by IBEX as a ribbon tracing out the locus described above. For this mechanism to succeed, the pick-up ions must diffuse in pitch angle slowly enough to permit secondary charge exchange before their pitch angle distribution substantially broadens away from 90°. Previous work using linear Vlasov dispersion analysis of parallel propagating waves has suggested that the ring distribution in the OHS is highly unstable, which, if true, would make the secondary ENA hypothesis incapable of rendering the observed ribbon. In this paper, we extend this earlier work to more realistic ring distribution functions. We find that, at the low densities necessary to produce the observed IBEX ribbon via the secondary ENA hypothesis, growth rates are highly sensitive to the temperature of the beam and that even very modest temperatures of the ring beam corresponding to beam widths of <1° are sufficient to damp the self-generated waves associated with the ring beam. Thus, at least from the perspective of linear Vlasov dispersion analysis of parallel propagating waves, there is no reason to expect that the ring distributions necessary to produce the observed IBEX ENA flux via the secondary ENA hypothesis will be unstable to their own self-generated turbulence.

Neutral hydrogen self-absorption in the Milky Way Galaxy

NASA Astrophysics Data System (ADS)

Kavars, Dain William

2006-06-01

To develop a better understanding of the cold neutral medium phase of the interstellar medium, we present a detailed analysis of neutral hydrogen self- absorption (HISA) clouds in the Milky Way Galaxy. These HISA clouds are in the Southern Galactic Plane Survey (SGPS), spanning the region l = 253°--358° and | b | <= 1.3°, and in the VLA Galactic Plane Survey (VGPS), spanning the region l = 18°--67° and | b | <= 1.3°--2.3°. The SGPS and VGPS have an angular resolution of ~1 arcminute and a velocity channel spacing of 0.82 km s -1 . With the recent completion of these surveys, we can study HISA features across the Galaxy at a much better resolution and sensitivity than any previous work. To analyze HISA in detail, catalogs of clouds of all sizes, including those undetectable by eye alone, are required. We present an automated search routine to detect all HISA clouds in the SGPS. We compare HISA to CO data and find some HISA clouds associated with CO, but others have no associated CO. This suggests that HISA clouds are in a transition between molecular and atomic gas, bridging the gap between dense molecular clouds and warmer, diffuse atomic clouds. HISA thus plays an important role in the overall evolution of the Galaxy. To study this transition further, we present observations of the OH molecule toward a select sample of HISA clouds in the VGPS, using the Green Bank Telescope (GBT). We present an analysis of the molecular properties of this sample, including a derivation of an OH to H 2 conversion factor and H 2 to H I abundance ratios. We discuss the complex relationship between H I, OH, 12 CO, and 13 CO emission. Finally we present a statistical analysis comparing HISA with infrared data from the Galactic Legacy Infrared Mid-Plane Survey Extraordinaire (GLIMPSE) project. The GLIMPSE data reveal a large number of compact, dark infrared clouds believed to be in the early stages of star formation. If GLIMPSE clouds are associated with HISA, they provide valuable information on the evolution of HISA clouds.

Solute-defect interactions in Al-Mg alloys from diffusive variational Gaussian calculations

NASA Astrophysics Data System (ADS)

Dontsova, E.; Rottler, J.; Sinclair, C. W.

2014-11-01

Resolving atomic-scale defect topologies and energetics with accurate atomistic interaction models provides access to the nonlinear phenomena inherent at atomic length and time scales. Coarse graining the dynamics of such simulations to look at the migration of, e.g., solute atoms, while retaining the rich atomic-scale detail required to properly describe defects, is a particular challenge. In this paper, we present an adaptation of the recently developed "diffusive molecular dynamics" model to describe the energetics and kinetics of binary alloys on diffusive time scales. The potential of the technique is illustrated by applying it to the classic problems of solute segregation to a planar boundary (stacking fault) and edge dislocation in the Al-Mg system. Our approach provides fully dynamical solutions in situations with an evolving energy landscape in a computationally efficient way, where atomistic kinetic Monte Carlo simulations are difficult or impractical to perform.

Instrument Suite for Vertical Characterization of the Ionosphere-Thermosphere System

NASA Technical Reports Server (NTRS)

Herrero, Federico; Jones, Hollis; Finne, Theodore; Nicholas, Andrew

2012-01-01

A document describes a suite that provides four simultaneous ion and neutral-atom measurements as a function of altitude, with variable sensitivity for neutral atmospheric species. The variable sensitivity makes it possible to extend the measurements over the altitude range of 100 to more than 700 km. The four instruments in the suite are (1) a neutral wind-temperature spectrometer (WTS), (2) an ion-drift ion-temperature spectrometer (IDTS), (3) a neutral mass spectrometer (NMS), and (4) an ion mass spectrometer (IMS).

Molecular dynamics simulations of hydrogen diffusion in aluminum

DOE PAGES

Zhou, X. W.; El Gabaly, F.; Stavila, V.; ...

2016-03-23

In this study, hydrogen diffusion impacts the performance of solid-state hydrogen storage materials and contributes to the embrittlement of structural materials under hydrogen-containing environments. In atomistic simulations, the diffusion energy barriers are usually calculated using molecular statics simulations where a nudged elastic band method is used to constrain a path connecting the two end points of an atomic jump. This approach requires prior knowledge of the “end points”. For alloy and defective systems, the number of possible atomic jumps with respect to local atomic configurations is tremendous. Even when these jumps can be exhaustively studied, it is still unclear howmore » they can be combined to give an overall diffusion behavior seen in experiments. Here we describe the use of molecular dynamics simulations to determine the overall diffusion energy barrier from the Arrhenius equation. This method does not require information about atomic jumps, and it has additional advantages, such as the ability to incorporate finite temperature effects and to determine the pre-exponential factor. As a test case for a generic method, we focus on hydrogen diffusion in bulk aluminum. We find that the challenge of this method is the statistical variation of the results. However, highly converged energy barriers can be achieved by an appropriate set of temperatures, output time intervals (for tracking hydrogen positions), and a long total simulation time. Our results help elucidate the inconsistencies of the experimental diffusion data published in the literature. The robust approach developed here may also open up future molecular dynamics simulations to rapidly study diffusion properties of complex material systems in multidimensional spaces involving composition and defects.« less

Interaction between antimony atoms and micropores in silicon

NASA Astrophysics Data System (ADS)

Odzhaev, V. B.; Petlitskii, A. N.; Plebanovich, V. I.; Sadovskii, P. K.; Tarasik, M. I.; Chelyadinskii, A. R.

2018-01-01

The interaction between Sb atoms and micropores of a getter layer in silicon is studied. The getter layer was obtained via implantation of Sb+ ions into silicon and subsequent heat treatment processes. The antimony atoms located in the vicinity of micropores are captured by micropores during gettering annealing and lose its electrical activity. The activation energy of capture process to the pores for antimony is lower than that of antimony diffusion in silicon deformation fields around microvoids on the diffusion process.

Morphology of the Saturn Magnetospheric Neutral gas

NASA Astrophysics Data System (ADS)

Shemansky, D. E.

2009-05-01

Although it has been known that Saturn's magnetospheric volume is filled with neutral gas, from the time of the Voyager encounters and subsequent HST observations, the Cassini Mission was essential for revealing the depth of complexity in the source processes and structure of this system. The state of the magnetosphere is unique, containing a plasma environment quenched by neutral gas from the top of the atmosphere to beyond the bow shock with neutral/plasma mixing ratios in the range 100 to ˜ 3000. The dominant neutral species identified in the magnetosphere by remote sensing are atomic hydrogen and oxygen, OH and H2O . Atomic hydrogen was mapped using the Voyager UVS and found to have an asymmetric distribution in local time, filling the entire magnetosphere, with a broad latitudinal distribution. These observations were followed by the measurement of the OH spectrum using the HST FOS. The definition of the HST distribution was limited to a few points in the system, showing a peak near 3. Saturn radii (RS ) from system center. Atomic oxygen was detected and mapped using the Cassini UVIS system, showing orbital asymmetry and temporal variation, with a substantially broader distribution than OH. All of the observed species emissions from the magnetosphere are produced by solar photon fluorescence, the ambient plasma volume being too low in density and temperature to generate measurable particle excited emission. H2O has been measured in Cassini UVIS stellar occultations at the south polar plumes at Enceladus, with a total mass injection rate that is the same order needed to maintain the oxygen population. The oxygen distribution, however, indicates that sources other than Enceladus may be contributing. Virtually all of the atomic hydrogen in the system is attributed to escape from the top of the Saturn atmosphere. The complexity of this process was graphically revealed in the Cassini UVIS system higher resolution images showing a plume of atoms in ballistic and escaping orbits emerging from the sub-solar atmosphere at about -13 deg latitude, with a FWHM of about 20 deg. The total flux in H atoms is high enough to account for the heating required to maintain the temperature at the top of the atmosphere. There is only a crude understanding of this phenomenon, that evidently requires electrodynamic forcing in hydrogen physical chemistry in the vicinity of the exobase.

Strain effect on the adsorption, diffusion, and molecular dissociation of hydrogen on Mg (0001) surface

NASA Astrophysics Data System (ADS)

Lei, Huaping; Wang, Caizhuang; Yao, Yongxin; Wang, Yangang; Hupalo, Myron; McDougall, Dan; Tringides, Michael; Ho, Kaiming

2013-12-01

The adsorption, diffusion, and molecular dissociation of hydrogen on the biaxially strained Mg (0001) surface have been systematically investigated by the first principle calculations based on density functional theory. When the strain changes from the compressive to tensile state, the adsorption energy of H atom linearly increases while its diffusion barrier linearly decreases oppositely. The dissociation barrier of H2 molecule linearly reduces in the tensile strain region. Through the chemical bonding analysis including the charge density difference, the projected density of states and the Mulliken population, the mechanism of the strain effect on the adsorption of H atom and the dissociation of H2 molecule has been elucidated by an s-p charge transfer model. With the reduction of the orbital overlap between the surface Mg atoms upon the lattice expansion, the charge transfers from p to s states of Mg atoms, which enhances the hybridization of H s and Mg s orbitals. Therefore, the bonding interaction of H with Mg surface is strengthened and then the atomic diffusion and molecular dissociation barriers of hydrogen decrease accordingly. Our works will be helpful to understand and to estimate the influence of the lattice deformation on the performance of Mg-containing hydrogen storage materials.

Nitrogen vacancy, self-interstitial diffusion, and Frenkel-pair formation/dissociation in B 1 TiN studied by ab initio and classical molecular dynamics with optimized potentials

NASA Astrophysics Data System (ADS)

Sangiovanni, D. G.; Alling, B.; Steneteg, P.; Hultman, L.; Abrikosov, I. A.

2015-02-01

We use ab initio and classical molecular dynamics (AIMD and CMD) based on the modified embedded-atom method (MEAM) potential to simulate diffusion of N vacancy and N self-interstitial point defects in B 1 TiN. TiN MEAM parameters are optimized to obtain CMD nitrogen point-defect jump rates in agreement with AIMD predictions, as well as an excellent description of Ti Nx(˜0.7

Au/Ti resistors used for Nb/Pb-alloy Josephson junctions. II. Thermal stability

NASA Astrophysics Data System (ADS)

Murakami, Masanori; Kim, K. K.

1984-10-01

In the preceding paper bilayered Au/Ti resistors were found to have excellent electrical stability during storage at room temperature after preannealing at an elevated temperature, which is essential to design logic and memory circuits of Nb/Pb-alloy Josephson junction devices. The resistors could contact directly with the Pb-alloy control lines in which Pb and In atoms which are known to intermix easily with Au atoms are contained. Since Pb and In atoms in the control lines are separated from Au atoms of the resistors by thin Ti layers, thermal stability at the contacts is a major concern for use of the Au/Ti resistor material in the Josephson devices. In the present study, surface morphology change and diffusion mechanism at the resistor/control-line contacts were studied using x-ray diffraction and scanning electron microscopy for square-shaped Au/Ti resistors covered by Pb-In layers. The samples were isothermally annealed at temperatures ranging from 353 to 423 K. The diffusion did not occur immediately after annealing at these temperatures. After the incubation period, the interdiffusion was observed to initiate at the edges of the resistors facing to the center of the cathode. Significant amounts of the In atoms in the Pb-In layers were observed to diffuse into the Au layers of the resistors, forming AuIn2 compounds under the Ti layers. By measuring growth rates of the AuIn2 layers, the diffusion coefficients and the activation energy for the layer growth were determined. Also, by analyzing changes in the In concentration in the Pb-In layers during annealing, interdiffusion coefficients of In atoms in the Pb-In layers were determined using a computer simulation technique. The activation energy was about 1.1 eV. Since these diffusion coefficients were found to be very close to those determined previously in bulk materials, the diffusion kinetics is believed to be controlled by the lattice diffusion. Based on the present results, several methods to reduce the interdiffusion between Pb-alloy and Au/Ti resistors were proposed.

Muonium in Stishovite: Implications for the Possible Existence of Neutral Atomic Hydrogen in the Earth's Deep Mantle

PubMed Central

Funamori, Nobumasa; Kojima, Kenji M.; Wakabayashi, Daisuke; Sato, Tomoko; Taniguchi, Takashi; Nishiyama, Norimasa; Irifune, Tetsuo; Tomono, Dai; Matsuzaki, Teiichiro; Miyazaki, Masanori; Hiraishi, Masatoshi; Koda, Akihiro; Kadono, Ryosuke

2015-01-01

Hydrogen in the Earth's deep interior has been thought to exist as a hydroxyl group in high-pressure minerals. We present Muon Spin Rotation experiments on SiO2 stishovite, which is an archetypal high-pressure mineral. Positive muon (which can be considered as a light isotope of proton) implanted in stishovite was found to capture electron to form muonium (corresponding to neutral hydrogen). The hyperfine-coupling parameter and the relaxation rate of spin polarization of muonium in stishovite were measured to be very large, suggesting that muonium is squeezed in small and anisotropic interstitial voids without binding to silicon or oxygen. These results imply that hydrogen may also exist in the form of neutral atomic hydrogen in the deep mantle. PMID:25675890

Ionospheric chemistry. [minor neutrals and ionized constituents of thermosphere

NASA Technical Reports Server (NTRS)

Torr, D. G.

1979-01-01

This report deals primarily with progress in the chemistry of minor neutrals and ionized constituents of the thermosphere. Significant progress was made over the last few years in quantitative studies of many chemical processes. This success was primarily due to the advent of multiparameter multisatellite programs which permitted accurate simultaneous measurements to be made of many important parameters. In many cases studies of chemical reactions were made with laboratory-like precision. Rate coefficients have been derived as functions of temperature for a number of important reactions. New information has been acquired on nearly every major process which occurs in the thermosphere, including the recombination rates of all major molecular ions, charge transfer reactions, ion atom interchange reactions, and reactions of neutral and ionized metastable atoms and molecules.

ON THE GEOMETRY OF THE IBEX RIBBON

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sylla, Adama; Fichtner, Horst

2015-10-01

The Energetic Neutral Atom (ENA) full-sky maps obtained with the Interstellar Boundary Explorer (IBEX) show an unexpected bright narrow band of increased intensity. This so-called ENA ribbon results from charge exchange of interstellar neutral atoms with protons in the outer heliosphere or beyond. Among other hypotheses it has been argued that this ribbon may be related to a neutral density enhancement, or H-wave, in the local interstellar medium. Here we quantitatively demonstrate, on the basis of an analytical model of the principal large-scale heliospheric structure, that this scenario for the ribbon formation leads to results that are fully consistent withmore » the observed location of the ribbon in the full-sky maps at all energies detected with high-energy sensor IBEX-Hi.« less

Muonium in Stishovite: Implications for the Possible Existence of Neutral Atomic Hydrogen in the Earth's Deep Mantle

NASA Astrophysics Data System (ADS)

Funamori, Nobumasa; Kojima, Kenji M.; Wakabayashi, Daisuke; Sato, Tomoko; Taniguchi, Takashi; Nishiyama, Norimasa; Irifune, Tetsuo; Tomono, Dai; Matsuzaki, Teiichiro; Miyazaki, Masanori; Hiraishi, Masatoshi; Koda, Akihiro; Kadono, Ryosuke

2015-02-01

Hydrogen in the Earth's deep interior has been thought to exist as a hydroxyl group in high-pressure minerals. We present Muon Spin Rotation experiments on SiO2 stishovite, which is an archetypal high-pressure mineral. Positive muon (which can be considered as a light isotope of proton) implanted in stishovite was found to capture electron to form muonium (corresponding to neutral hydrogen). The hyperfine-coupling parameter and the relaxation rate of spin polarization of muonium in stishovite were measured to be very large, suggesting that muonium is squeezed in small and anisotropic interstitial voids without binding to silicon or oxygen. These results imply that hydrogen may also exist in the form of neutral atomic hydrogen in the deep mantle.

Numerical quasi-linear study of the critical ionization velocity phenomenon

NASA Technical Reports Server (NTRS)

Moghaddam-Taaheri, E.; Goertz, C. K.

1993-01-01

The critical ionization velocity (CIV) for a neutral barium (Ba) gas cloud moving across the static magnetic field is studied numerically using quasi-linear equations and a parameter range which is typical for the shaped-charge Ba gas release experiments in space. For consistency the charge exchange between the background oxygen ions and neutral atoms and its reverse process, as well as the excitation of the neutral Ba atoms, are included. The numerical results indicate that when the ionization rate due to CIV becomes comparable to the charge exchange rate the energy lost to the ionization and excitation collisions by the superthermal electrons exceeds the energy gain from the waves that are excited by the ion beam. This results in a CIV yield less than the yield by the charge exchange process.

"Diffusion" region of magnetic reconnection: electron orbits and the phase space mixing

NASA Astrophysics Data System (ADS)

Kropotkin, Alexey P.

2018-05-01

The nonlinear dynamics of electrons in the vicinity of magnetic field neutral lines during magnetic reconnection, deep inside the diffusion region where the electron motion is nonadiabatic, has been numerically analyzed. Test particle orbits are examined in that vicinity, for a prescribed planar two-dimensional magnetic field configuration and with a prescribed uniform electric field in the neutral line direction. On electron orbits, a strong particle acceleration occurs due to the reconnection electric field. Local instability of orbits in the neighborhood of the neutral line is pointed out. It combines with finiteness of orbits due to particle trapping by the magnetic field, and this should lead to the effect of mixing in the phase space, and the appearance of dynamical chaos. The latter may presumably be viewed as a mechanism producing finite conductivity in collisionless plasma near the neutral line. That conductivity is necessary to provide violation of the magnetic field frozen-in condition, i.e., for magnetic reconnection to occur in that region.

Ultracold Chemical Reactions of a Single Rydberg Atom in a Dense Gas

DOE PAGES

Schlagmüller, Michael; Liebisch, Tara Cubel; Engel, Felix; ...

2016-08-10

Within a dense environment (ρ ≈ 10 14 atoms/cm 3) at ultracold temperatures (T < 1 μK), a single atom excited to a Rydberg state acts as a reaction center for surrounding neutral atoms. At these temperatures, almost all neutral atoms within the Rydberg orbit are bound to the Rydberg core and interact with the Rydberg atom. We have studied the reaction rate and products for nS 87Rb Rydberg states, and we mainly observe a state change of the Rydberg electron to a high orbital angular momentum l, with the released energy being converted into kinetic energy of the Rydberg atom. Unexpectedly, the measurements show a threshold behavior at n ≈ 100 for the inelastic collision time leading to increased lifetimes of the Rydberg state independent of the densities investigated. Even at very high densities (ρ ≈ 4.8 x 10 14 cm -3), the lifetime of a Rydberg atom exceeds 10 μs at n > 140 compared to 1 μs at n = 90. In addition, a second observed reaction mechanism, namely, Rbmore » $$+\\atop{2}$$ molecule formation, was studied. Both reaction products are equally probable for n = 40, but the fraction of Rb + 2 created drops to below 10% for n ≥ 90.« less

Structures and chemical bonding of B{sub 3}O{sub 3}{sup −/0} and B{sub 3}O{sub 3}H{sup −/0}: A combined photoelectron spectroscopy and first-principles theory study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhao, Li-Juan; Xu, Hong-Guang; Feng, Gang

We present a combined photoelectron spectroscopy and first-principles theory study on the structural and electronic properties and chemical bonding of B{sub 3}O{sub 3}{sup −/0} and B{sub 3}O{sub 3}H{sup −/0} clusters. The concerted experimental and theoretical data show that the global-minimum structures of B{sub 3}O{sub 3} and B{sub 3}O{sub 3}H neutrals are very different from those of their anionic counterparts. The B{sub 3}O{sub 3}{sup −} anion is characterized to possess a V-shaped OB–B–BO chain with overall C{sub 2v} symmetry (1A), in which the central B atom interacts with two equivalent boronyl (B≡O) terminals via B–B single bonds as well as withmore » one O atom via a B=O double bond. The B{sub 3}O{sub 3}H{sup −} anion has a C{sub s} (2A) structure, containing an asymmetric OB–B–OBO zig-zag chain and a terminal H atom interacting with the central B atom. In contrast, the C{sub 2v} (1a) global minimum of B{sub 3}O{sub 3} neutral contains a rhombic B{sub 2}O{sub 2} ring with one B atom bonded to a BO terminal and that of neutral B{sub 3}O{sub 3}H (2a) is also of C{sub 2v} symmetry, which is readily constructed from C{sub 2v} (1a) by attaching a H atom to the opposite side of the BO group. The H atom in B{sub 3}O{sub 3}H{sup −/0} (2A and 2a) prefers to interact terminally with a B atom, rather than with O. Chemical bonding analyses reveal a three-center four-electron (3c-4e) π hyperbond in the B{sub 3}O{sub 3}H{sup −} (2A) cluster and a four-center four-electron (4c-4e) π bond (that is, the so-called o-bond) in B{sub 3}O{sub 3} (1a) and B{sub 3}O{sub 3}H (2a) neutral clusters.« less

Neutral evolution in a biological population as diffusion in phenotype space: reproduction with local mutation but without selection.

PubMed

Lawson, Daniel John; Jensen, Henrik Jeldtoft

2007-03-02

The process of "evolutionary diffusion," i.e., reproduction with local mutation but without selection in a biological population, resembles standard diffusion in many ways. However, evolutionary diffusion allows the formation of localized peaks that undergo drift, even in the infinite population limit. We relate a microscopic evolution model to a stochastic model which we solve fully. This allows us to understand the large population limit, relates evolution to diffusion, and shows that independent local mutations act as a diffusion of interacting particles taking larger steps.

First principles investigation of the initial stage of H-induced missing-row reconstruction of Pd(110) surface

DOE Office of Scientific and Technical Information (OSTI.GOV)

Padama, Allan Abraham B.; Kasai, Hideaki, E-mail: kasai@dyn.ap.eng.osaka-u.ac.jp; Center for Atomic and Molecular Technologies, Osaka University, Suita, Osaka 565-0871

2014-06-28

The pathway of H diffusion that will induce the migration of Pd atom is investigated by employing first principles calculations based on density functional theory to explain the origin of missing-row reconstruction of Pd(110).The calculated activation barrier and the H-induced reconstruction energy reveal that the long bridge-to-tetrahedral configuration is the energetically favored process for the initial stage of reconstruction phenomenon. While the H diffusion triggers the migration of Pd atom, it is the latter process that significantly contributes to the activated missing-row reconstruction of Pd(110). Nonetheless, the strong interaction between the diffusing H and the Pd atoms dictates the occurrencemore » of reconstructed surface.« less

Molecular dynamics simulations of substitutional diffusion

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhou, Xiaowang; Jones, Reese E.; Gruber, Jacob

2016-12-18

In atomistic simulations, diffusion energy barriers are usually calculated for each atomic jump path using a nudged elastic band method. Practical materials often involve thousands of distinct atomic jump paths that are not known a priori. Hence, it is often preferred to determine an overall diffusion energy barrier and an overall pre-exponential factor from the Arrhenius equation constructed through molecular dynamics simulations of mean square displacement of the diffusion species at different temperatures. This approach has been well established for interstitial diffusion, but not for substitutional diffusion at the same confidence. Using In 0.1 Ga 0.9 N as an example,more » we have identified conditions where molecular dynamics simulations can be used to calculate highly converged Arrhenius plots for substitutional alloys. As a result, this may enable many complex diffusion problems to be easily and reliably studied in the future using molecular dynamics, provided that moderate computing resources are available.« less

Routes to formation of highly excited neutral atoms in the break-up of strongly driven hydrogen molecule

NASA Astrophysics Data System (ADS)

Emmanouilidou, Agapi

2012-06-01

We present a theoretical quasiclassical treatment of the formation, during Coulomb explosion, of highly excited neutral H atoms for strongly-driven hydrogen molecule. This process, where after the laser field is turned off, one electron escapes to the continuum while the other occupies a Rydberg state, was recently reported in an experimental study in Phys. Rev. Lett 102, 113002 (2009). We find that two-electron effects are important in order to correctly account for all pathways leading to highly excited neutral hydrogen formation [1]. We identify two pathways where the electron that escapes to the continuum does so either very quickly or after remaining bound for a few periods of the laser field. These two pathways of highly excited neutral H formation have distinct traces in the probability distribution of the escaping electron momentum components. [4pt] [1] A. Emmanouilidou, C. Lazarou, A. Staudte and U. Eichmann, Phys. Rev. A (Rapid) 85 011402 (2012).

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dey, Ritu; Ghosh, Joydeep; Chowdhuri, M. B.

Neutral particle behavior in Aditya tokamak, which has a circular poloidal ring limiter at one particular toroidal location, has been investigated using DEGAS2 code. The code is based on the calculation using Monte Carlo algorithms and is mainly used in tokamaks with divertor configuration. This code has been successfully implemented in Aditya tokamak with limiter configuration. The penetration of neutral hydrogen atom is studied with various atomic and molecular contributions and it is found that the maximum contribution comes from the dissociation processes. For the same, H α spectrum is also simulated which was matched with the experimental one. Themore » dominant contribution around 64% comes from molecular dissociation processes and neutral particle is generated by those processes have energy of ~ 2.0 eV. Furthermore, the variation of neutral hydrogen density and H α emissivity profile are analysed for various edge temperature profiles and found that there is not much changes in H α emission at the plasma edge with the variation of edge temperature (7 to 40 eV).« less

Measurement of fast minority /sub 3/He/sup + +/ energy distribution during ICRF heating

DOEpatents

Post, D.E. Jr.; Grisham, L.R.; Medley, S.S.

A method and means for measuring the fast /sub 3/He/sup + +/ distribution during /sub 3/He/sup + +/ minority Ion Cyclotron Resonance Frequency (ICRF) heating is disclosed. The present invention involves the use of 10 to 100 keV beams of neutral helium atoms to neutralize the fast /sub 3/He/sup + +/ ions in a heated plasma by double charge exchange (/sub 3/He/sup + +/ + /sub 4/He/sup 0/ ..-->.. /sub 3/He/sup 0/ + /sub 4/He/sup + +/). The neutralized fast /sub 3/He/sup 0/ atoms then escape from the hot plasma confined by a magnetic field and are detected by conventional neutral particle analyzing means. This technique permits the effectiveness of the coupling of the ion cyclotron waves to the /sub 3/He/sup + +/ minority ions to be accurately measured. The present invention is particularly adapted for use in evaluating the effectiveness of the intermediate coupling between the RF heating and the /sub 3/He/sup + +/ in an energetic toroidal plasma.

A comparison of UV surface brightness and HI surface densities for spiral galaxies

NASA Technical Reports Server (NTRS)

Federman, S. R.; Strom, C.

1990-01-01

Shaya and Federman (1987) suggested that the ambient ultraviolet flux at 1000 A permeating a spiral galaxy controls the neutral hydrogen (HI) surface density in the galaxy. They found that the atomic envelopes surrounding small molecular clouds, because of their great number, provide the major contribution to the HI surface density over the stellar disk. The increase in HI surface density with later Hubble types was ascribed to the stronger UV fields from more high-mass stars in later Hubble types. These hypotheses are based on the observations of nearby diffuse interstellar clouds, which show a sharp atomic-to-molecular transition (Savage et al. 1977), and on the theoretical framework introduced by Federman, Glassgold, and Kwan (1979). Atomic envelopes around interstellar clouds in the solar neighborhood arise when a steady state is reached between photodissociation of H2 and the formation of H2 on grains. The photodissociation process involves photons with wavelengths between 912 A and 1108 A. Shaya and Federman used H-alpha flux as an approximate measure for the far UV flux and made their comparisons based on averages over Hubble type. Here, researchers compare, on an individual basis, UV data obtained with space-borne and balloon-borne instruments for galaxies with measurements of HI surface density (Warmels 1988a, b). The comparisons substantiate the conclusion of Shaya and Federman that the far UV field controls the HI content of spiral galaxies.

Method and apparatus for quantum information processing using entangled neutral-atom qubits

DOEpatents

Jau, Yuan Yu; Biedermann, Grant; Deutsch, Ivan

2018-04-03

A method for preparing an entangled quantum state of an atomic ensemble is provided. The method includes loading each atom of the atomic ensemble into a respective optical trap; placing each atom of the atomic ensemble into a same first atomic quantum state by impingement of pump radiation; approaching the atoms of the atomic ensemble to within a dipole-dipole interaction length of each other; Rydberg-dressing the atomic ensemble; during the Rydberg-dressing operation, exciting the atomic ensemble with a Raman pulse tuned to stimulate a ground-state hyperfine transition from the first atomic quantum state to a second atomic quantum state; and separating the atoms of the atomic ensemble by more than a dipole-dipole interaction length.

Dynamics and diffusion mechanism of low-density liquid silicon

DOE PAGES

Shen, B.; Wang, Z. Y.; Dong, F.; ...

2015-11-05

A first-order phase transition from a high-density liquid to a low-density liquid has been proposed to explain the various thermodynamic anomies of water. It also has been proposed that such liquid–liquid phase transition would exist in supercooled silicon. Computer simulation studies show that, across the transition, the diffusivity drops roughly 2 orders of magnitude, and the structures exhibit considerable tetrahedral ordering. The resulting phase is a highly viscous, low-density liquid silicon. Investigations on the atomic diffusion of such a novel form of liquid silicon are of high interest. Here we report such diffusion results from molecular dynamics simulations using themore » classical Stillinger–Weber (SW) potential of silicon. We show that the atomic diffusion of the low-density liquid is highly correlated with local tetrahedral geometries. We also show that atoms diffuse through hopping processes within short ranges, which gradually accumulate to an overall random motion for long ranges as in normal liquids. There is a close relationship between dynamical heterogeneity and hopping process. We point out that the above diffusion mechanism is closely related to the strong directional bonding nature of the distorted tetrahedral network. Here, our work offers new insights into the complex behavior of the highly viscous low density liquid silicon, suggesting similar diffusion behaviors in other tetrahedral coordinated liquids that exhibit liquid–liquid phase transition such as carbon and germanium.« less

Deutsch, Toffoli, and cnot Gates via Rydberg Blockade of Neutral Atoms

NASA Astrophysics Data System (ADS)

Shi, Xiao-Feng

2018-05-01

Universal quantum gates and quantum error correction (QEC) lie at the heart of quantum-information science. Large-scale quantum computing depends on a universal set of quantum gates, in which some gates may be easily carried out, while others are restricted to certain physical systems. There is a unique three-qubit quantum gate called the Deutsch gate [D (θ )], from which a circuit can be constructed so that any feasible quantum computing is attainable. We design an easily realizable D (θ ) by using the Rydberg blockade of neutral atoms, where θ can be tuned to any value in [0 ,π ] by adjusting the strengths of external control fields. Using similar protocols, we further show that both the Toffoli and controlled-not gates can be achieved with only three laser pulses. The Toffoli gate, being universal for classical reversible computing, is also useful for QEC, which plays an important role in quantum communication and fault-tolerant quantum computation. The possibility and speed of realizing these gates shed light on the study of quantum information with neutral atoms.

Observations and Interpretations of Energetic Neutral Hydrogen Atoms from the December 5, 2006 Solar Event

NASA Technical Reports Server (NTRS)

Mewaldt, R. A.; Leske, R. A.; Shih, A. Y.; Stone, E. C.; Barghouty, A. f.; Cohen, C. M. S.; Cummings, A. c.; Labrador, A. W.; vonRosenvinge, T. T.

2009-01-01

We discuss recently reported observations of energetic neutral hydrogen atoms (ENAs) from an X9 solar flare/coronal mass ejection event on 5 December 2006, located at E79. The observations were made by the Low Energy Telescopes (LETs) on STEREO A and B. Prior to the arrival of the main solar energetic particle (SEP) event at Earth, both LETs observed a sudden burst of 1.6 to 15 MeV energetic neutral hydrogen atoms produced by either flare or shock-accelerated protons. RHESSI measurements of the 2.2-MeV gamma-ray line provide an estimate of the number of interacting flare-accelerated protons in this event, which leads to an improved estimate of ENA production by flare-accelerated protons. Taking into account ENA losses, we find that the observed ENAs must have been produced in the high corona at heliocentric distances > or equal to 2 solar radii. Although there are no CME images from this event, it is shown that CME-shock-accelerated protons can, in principle, produce a time-history consistent with the observations.

Plasma-formed hyperthermal atomic beams for use in thin film fabrication

NASA Astrophysics Data System (ADS)

Gilson, E. P.; Cohen, S. A.; Berlinger, B.; Chan, W.

2013-10-01

Enhancing the surface mobility of adsorbents during thin-film growth processes is important for creating certain high-quality thin films. Under the auspices of a DARPA program to develop methods for supplying momentum to adsorbates during thin-film formation without using bulk heating, a hyperthermal atomic beam (HAB) was generated and directed at silicon surfaces with patterned coatings of pentacene, gold, and other surrogates for adsorbents relevant to various thin-film coatings. The HAB was created when the plasma from a helicon plasma source struck a tungsten neutralizer plate and was reflected as neutrals. Time averaged HAB fluxes 100 times greater than in previous PPPL HAB sources have been generated. The effect of the HAB on the patterned coatings was measured using atomic force microscopy (AFM). Results are presented on the flux and energy of the HAB for various system pressures, magnetic fields, and neutralizer biases. AFM measurements of the surface topology demonstrate that the HAB energy, species, and integrated flux are all important factors in altering surface mobility. This research is supported by the U.S. Defense Advanced Research Projects Agency.

Bicarbonate diffusion through mucus.

PubMed

Livingston, E H; Miller, J; Engel, E

1995-09-01

The mucus layer overlying duodenal epithelium maintains a pH gradient against high luminal acid concentrations. Despite these adverse conditions, epithelial surface pH remains close to neutrality. The exact nature of the gradient-forming barrier remains unknown. The barrier consists of mucus into which HCO3- is secreted. Quantification of the ability of HCO3- to establish and maintain the gradient depends on accurate measurement of this ion's diffusion coefficient through mucus. We describe new experimental and mathematical methods for diffusion measurement and report diffusion coefficients for HCO3- diffusion through saline, 5% mucin solutions, and rat duodenal mucus. The diffusion coefficients were 20.2 +/- 0.10, 3.02 +/- 0.31, and 1.81 +/- 0.12 x 10(-6) cm2/s, respectively. Modeling of the mucobicarbonate layer with this latter value suggests that for conditions of high luminal acid strength the neutralization of acid by HCO3- occurs just above the epithelial surface. Under these conditions the model predicts that fluid convection toward the lumen could be important in maintaining the pH gradient. In support of this hypothesis we were able to demonstrate a net luminal fluid flux of 5 microliters.min-1.cm-2 after perfusion of 0.15 N HCl in the rat duodenum.

Mesoscale elucidation of laser-assisted chemical deposition of Sn nanostructured electrodes

NASA Astrophysics Data System (ADS)

Liu, Zhixiao; Deng, Biwei; Cheng, Gary J.; Deng, Huiqiu; Mukherjee, Partha P.

2015-06-01

Nanostructured tin (Sn) is a promising high-capacity electrode for improved performance in lithium-ion batteries for electric vehicles. In this work, Sn nanoisland growth for nanostructured electrodes assisted by the pulse laser irradiation has been investigated based on a mesoscale modeling formalism. The influence of pertinent processing conditions, such as pulse duration, heating/cooling rates, and atom flux, on the Sn nanostructure formation is specifically considered. The interaction between the adsorbed atom and the substrate, represented by the adatom diffusion barrier, is carefully studied. It is found that the diffusion barrier predominantly affects the distribution of Sn atoms. For both α-Sn and β-Sn, the averaged coordination number is larger than 3 when the diffusion barrier equals to 0.15 eV. The averaged coordination number decreases as the diffusion barrier increases. The substrate temperature, which is determined by heating/cooling rates and pulse duration, can also affect the formation of Sn nanoislands. For α-Sn, when applied low heating/cooling rates, nanoislands cannot form if the diffusion barrier is larger than 0.35 eV.

Global molecular identification from graphs. Neutral and ionized main-group diatomic molecules.

PubMed

James, Bryan; Caviness, Ken; Geach, Jonathan; Walters, Chris; Hefferlin, Ray

2002-01-01

Diophantine equations and inequalities are presented for main-group closed-shell diatomic molecules. Specifying various bond types (covalent, dative, ionic, van der Waals) and multiplicities, it becomes possible to identify all possible molecules. While many of the identified species are probably unstable under normal conditions, they are interesting and present a challenge for computational or experimental analysis. Ionized molecules with net charges of -1, 1, and 2 are also identified. The analysis applies to molecules with atoms from periods 2 and 3 but can be generalized by substituting isovalent atoms. When closed-shell neutral diatomics are positioned in the chemical space (with axes enumerating the numbers of valence electrons of the free atoms), it is seen that they lie on a few parallel isoelectronic series.

Correlations between dynamics and atomic structures in Cu64.5Zr35.5 metallic glass

NASA Astrophysics Data System (ADS)

Wang, C. Z.; Zhang, Y.; Zhang, F.; Mendelev, M. I.; Kramer, M. J.; Ho, K. M.

2015-03-01

The atomic structure of Cu-Zr metallic glasses (MGs) has been widely accepted to be heterogeneous and dominated by icosahedral short range order (ISRO). However, the correlations between dynamics and atomic structures in Cu-Zr MGs remain an enigma. Using molecular dynamics (MD) simulations, we investigated the correlations between dynamics and atomic structures in Cu64.5Zr35.5 MG. The atomic structures are characterized using ISRO and the Bergman-type medium range order (BMRO). The simulation and analysis results show that the majority of the mobile atoms are not involved in ISRO or BMRO, indicating that the dynamical heterogeneity has a strong correlation to structural heterogeneity. Moreover, we found that the localized soft vibration modes below 1.0 THz are mostly concentrated on the mobile atoms. The diffusion was studied using the atomic trajectory collected in an extended time interval of 1.2 μs at 700 K in MD simulations. It was found that the long range diffusion in MGs is highly heterogeneous, which is confined to the liquid-like regions and strongly avoids the ISRO and the Bergman-type MRO. All These results clearly demonstrate strong correlations between dynamics (in terms of dynamical heterogeneity and diffusion) and atomic structures in Cu64.5Zr35.5 MGs. This work was supported by the U.S. Department of Energy, Basic Energy Sciences, Division of Materials Science and Engineering under the Contract No. DE-AC02-07CH11358.

Polarization-dependent atomic dipole traps behind a circular aperture for neutral-atom quantum computing

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gillen-Christandl, Katharina; Copsey, Bert D.

2011-02-15

The neutral-atom quantum computing community has successfully implemented almost all necessary steps for constructing a neutral-atom quantum computer. We present computational results of a study aimed at solving the remaining problem of creating a quantum memory with individually addressable sites for quantum computing. The basis of this quantum memory is the diffraction pattern formed by laser light incident on a circular aperture. Very close to the aperture, the diffraction pattern has localized bright and dark spots that can serve as red-detuned or blue-detuned atomic dipole traps. These traps are suitable for quantum computing even for moderate laser powers. In particular,more » for moderate laser intensities ({approx}100 W/cm{sup 2}) and comparatively small detunings ({approx}1000-10 000 linewidths), trap depths of {approx}1 mK and trap frequencies of several to tens of kilohertz are achieved. Our results indicate that these dipole traps can be moved by tilting the incident laser beams without significantly changing the trap properties. We also explored the polarization dependence of these dipole traps. We developed a code that calculates the trapping potential energy for any magnetic substate of any hyperfine ground state of any alkali-metal atom for any laser detuning much smaller than the fine-structure splitting for any given electric field distribution. We describe details of our calculations and include a summary of different notations and conventions for the reduced matrix element and how to convert it to SI units. We applied this code to these traps and found a method for bringing two traps together and apart controllably without expelling the atoms from the trap and without significant tunneling probability between the traps. This approach can be scaled up to a two-dimensional array of many pinholes, forming a quantum memory with single-site addressability, in which pairs of atoms can be brought together and apart for two-qubit gates for quantum computing.« less

Neutral atomic absorption lines and far-UV extinction: Possible implications for depletions and grain parameters

NASA Technical Reports Server (NTRS)

Welty, Daniel E.

1990-01-01

Researchers examine nine lines of sight within the Galaxy and one in the Large Magellanic Cloud (LMC) for which data on both neutral atomic absorption lines (Snow 1984; White 1986; Welty, Hobbs, and York 1989) and far UV extinction (Bless and Savage 1972; Jenkins, Savage, and Spitzer 1986) are available, in order to test the assumption that variations in gamma/alpha will cancel in taking ratios of the ionization balance equation, and to try to determine to what extent that assumption has affected the aforementioned studies of depletions and grain properties.

The Reactions of Polycyclic Aromatic Hydrocarbons with OH

NASA Technical Reports Server (NTRS)

Ricca, Alessandra; Bauschlicher, Charles W., Jr.; Arnold, James O. (Technical Monitor)

2000-01-01

The OH radical adds to naphthalene and naphthalene cation without a barrier. For the neutrals, the most favorable path for this intermediate is the loss of the OH, and the next most favorable option is the loss of an H atom to form the alcohol. For the cation, the most favorable path appears to be a hydrogen migration followed by the loss of a hydrogen to form the alcohol. The OH at carbon atom 1 is energetically most favorable for both the initial complex and final product. This is true for both the neutrals and cations.

Extended atmospheres of outer planet satellites and comets

NASA Technical Reports Server (NTRS)

Smyth, W. H.; Combi, M. R.

1985-01-01

Collisions between neutral hydrogen atoms in the interstellar medium and those in the so-called Titan hydrogen torus may provide an additional lifetime sink for atoms in the Saturn environment. Progress toward re-sorting the Voyager UVS scans of neutral hydrogen in the Saturn system to enable both a factor of two increase in the amount of data to be analyzed as well as to help identify near-Titan hydrogen is discussed. Progress toward development of the cometary carbon and oxygen models is also discussed and a preliminary model run for the H2O source of cometary oxygen is presented.

Studies for the Loss of Atomic and Molecular Species from Io

NASA Technical Reports Server (NTRS)

Smyth, William H.

1998-01-01

Continued effort is reported to improve the emission rates of various emission lines for atomic oxygen and sulfur. Atomic hydrogen has been included as a new species in the neutral cloud model. The pertinent lifetime processes for hydrogen in the plasma torus and the relevant excitation processes for H Lyman-alpha emission in Io's atmosphere are discussed.

The neutral mass spectrometer on Dynamics Explorer B

NASA Technical Reports Server (NTRS)

Carignan, G. R.; Block, B. P.; Maurer, J. C.; Hedin, A. E.; Reber, C. A.; Spencer, N. W.

1981-01-01

A neutral gas mass spectrometer has been developed to satisfy the measurement requirements of the Dynamics Explorer mission. The mass spectrometer, a quadrupole, will measure the abundances of neutral species in the region 300-500 km in the earth's atmosphere. These measurements will be used in concert with other simultaneous observations on Dynamics Explorer to study the physical processes involved in the interactions of the magnetosphere-ionosphere-atmosphere system. The instrument, which is similar to that flown on Atmosphere Explorer, employs an electron beam ion source operating in the closed mode and a discrete dynode multiplier as a detector. The mass range is 22 to 50 amu. The abundances of atomic oxygen, molecular nitrogen, helium, argon, and possibly atomic nitrogen will be measured to an accuracy of about + or - 15% over the specified altitude range, with a temporal resolution of one second.

Sensitivity of MSE measurements on the beam atomic level population

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ruiz, C., E-mail: carlos.ruiz@wisc.edu; Kumar, S. T. A.; Anderson, F. S. B.

The effect of variation in atomic level population of a neutral beam on the Motional Stark Effect (MSE) measurements is investigated in the low density plasmas of HSX stellarator. A 30 KeV, 4 A, 3 ms hydrogen diagnostic neutral beam is injected into HSX plasmas of line averaged electron density ranging from 2 to 4 ⋅ 10{sup 18} m{sup −3} at a magnetic field of 1 T. For this density range, the excited level population of the hydrogen neutral beam is expected to undergo variations. Doppler shifted and Stark split H{sub α} and H{sub β} emissions from the beam aremore » simultaneously measured using two cross-calibrated spectrometers. The emission spectrum is simulated and fit to the experimental measurements and the deviation from a statistically populated beam is investigated.« less

Determination of the neutral oxygen atom density in a plasma reactor loaded with metal samples

NASA Astrophysics Data System (ADS)

Mozetic, Miran; Cvelbar, Uros

2009-08-01

The density of neutral oxygen atoms was determined during processing of metal samples in a plasma reactor. The reactor was a Pyrex tube with an inner diameter of 11 cm and a length of 30 cm. Plasma was created by an inductively coupled radiofrequency generator operating at a frequency of 27.12 MHz and output power up to 500 W. The O density was measured at the edge of the glass tube with a copper fiber optics catalytic probe. The O atom density in the empty tube depended on pressure and was between 4 and 7 × 1021 m-3. The maximum O density was at a pressure of about 150 Pa, while the dissociation fraction of O2 molecules was maximal at the lowest pressure and decreased with increasing pressure. At about 300 Pa it dropped below 10%. The measurements were repeated in the chamber loaded with different metallic samples. In these cases, the density of oxygen atoms was lower than that in the empty chamber. The results were explained by a drain of O atoms caused by heterogeneous recombination on the samples.

A Far-ultraviolet Fluorescent Molecular Hydrogen Emission Map of the Milky Way Galaxy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jo, Young-Soo; Min, Kyoung-Wook; Seon, Kwang-Il

We present the far-ultraviolet (FUV) fluorescent molecular hydrogen (H{sub 2}) emission map of the Milky Way Galaxy obtained with FIMS/SPEAR covering ∼76% of the sky. The extinction-corrected intensity of the fluorescent H{sub 2} emission has a strong linear correlation with the well-known tracers of the cold interstellar medium (ISM), including color excess E(B–V) , neutral hydrogen column density N (H i), and H α emission. The all-sky H{sub 2} column density map was also obtained using a simple photodissociation region model and interstellar radiation fields derived from UV star catalogs. We estimated the fraction of H{sub 2} ( f {submore » H2}) and the gas-to-dust ratio (GDR) of the diffuse ISM. The f {sub H2} gradually increases from <1% at optically thin regions where E(B–V) < 0.1 to ∼50% for E(B–V)  = 3. The estimated GDR is ∼5.1 × 10{sup 21} atoms cm{sup −2} mag{sup −1}, in agreement with the standard value of 5.8 × 10{sup 21} atoms cm{sup −2} mag{sup −1}.« less

Numerical model of the plasma formation at electron beam welding

NASA Astrophysics Data System (ADS)

Trushnikov, D. N.; Mladenov, G. M.

2015-01-01

The model of plasma formation in the keyhole in liquid metal as well as above the electron beam welding zone is described. The model is based on solution of two equations for the density of electrons and the mean electron energy. The mass transfer of heavy plasma particles (neutral atoms, excited atoms, and ions) is taken into account in the analysis by the diffusion equation for a multicomponent mixture. The electrostatic field is calculated using the Poisson equation. Thermionic electron emission is calculated for the keyhole wall. The ionization intensity of the vapors due to beam electrons and high-energy secondary and backscattered electrons is calibrated using the plasma parameters when there is no polarized collector electrode above the welding zone. The calculated data are in good agreement with experimental data. Results for the plasma parameters for excitation of a non-independent discharge are given. It is shown that there is a need to take into account the effect of a strong electric field near the keyhole walls on electron emission (the Schottky effect) in the calculation of the current for a non-independent discharge (hot cathode gas discharge). The calculated electron drift velocities are much bigger than the velocity at which current instabilities arise. This confirms the hypothesis for ion-acoustic instabilities, observed experimentally in previous research.

Optical diagnostics of laser-produced aluminium plasmas under water

NASA Astrophysics Data System (ADS)

Walsh, N.; Costello, J. T.; Kelly, T. J.

2017-06-01

We report on the findings of double-pulse studies performed on an aluminium target submerged in water using Nd:YAG laser pulses. Shadowgraphy measurements were performed to examine the dynamic behaviour of the cavitation bubble that eventually forms some considerable time post-plasma ignition. These measurements were used to inform subsequent investigations designed to probe the bubble environment. The results of time-resolved imaging from within the cavitation bubble following irradiation by a second laser pulse reveal the full dynamic evolution of a plasma formed in such an environment. Rapid displacement of the plasma plume in a direction normal to the target surface followed by a diffusive outwards expansion is observed and a qualitative model is proposed to explain the observed behaviour. Line profiles of several ionic and atomic species were observed within the irradiated cavitation bubble. Electron densities were determined using the Stark broadening of the Al II line at 466.3 nm and electron temperatures inferred using the ratio of the Al II (466.3 nm) and Al I (396.15 nm) lines. Evidence of self-reversal of neutral emission lines was observed at times corresponding to growth and collapse phases of the cavitation bubble suggesting high population density for ground state atoms during these times.

The mixing mechanism during lithiation of Si negative electrode in Li-ion batteries: an ab initio molecular dynamics study.

PubMed

Johari, Priya; Qi, Yue; Shenoy, Vivek B

2011-12-14

In order to realize Si as a negative electrode material in commercial Li-ion batteries, it is important to understand the mixing mechanism of Li and Si, and stress evolution during lithiation in Si negative electrode of Li-ion batteries. Available experiments mainly provide the diffusivity of Li in Si as an averaged property, neglecting information regarding diffusivity of Si. However, if Si can diffuse as fast as Li, the stress generated during Li diffusion can be reduced. We, therefore, studied the diffusivity of Li as well as Si atoms in the Si-anode of Li-ion battery using an ab initio molecular dynamics-based methodology. The electrochemical insertion of Li into crystalline Si prompts a crystalline-to-amorphous phase transition. We considered this situation and thus examined the diffusion kinetics of Li and Si atoms in both crystalline and amorphous Si. We find that Li diffuses faster in amorphous Si as compared to crystalline Si, while Si remains relatively immobile in both cases and generates stresses during lithiation. To further understand the mixing mechanism and to relate the structure with electrochemical mixing, we analyzed the evolution of the structure during lithiation and studied the mechanism of breaking of Si-Si network by Li. We find that Li atoms break the Si rings and chains and create ephemeral structures such as stars and boomerangs, which eventually transform to Si-Si dumbbells and isolated Si atoms in the LiSi phase. Our results are found to be in agreement with the available experimental data and provide insights into the mixing mechanism of Li and Si in Si negative electrode of Li-ion batteries.

Charge exchange cooling in the tandem mirror plasma confinement apparatus

DOEpatents

Logan, B. Grant

1978-01-01

Method and apparatus for cooling a plasma of warm charged species confined in the center mirror cell of the tandem mirror apparatus by injecting cold neutral species of the plasma into at least one mirroring region of the center mirror cell, the cooling due to the loss of warm charged species through charge exchange with the cold neutral species with resulting diffusion of the warm neutral species out of the plasma.

Measurements of neutral and ion velocity distribution functions in a Hall thruster

NASA Astrophysics Data System (ADS)

Svarnas, Panagiotis; Romadanov, Iavn; Diallo, Ahmed; Raitses, Yevgeny

2015-11-01

Hall thruster is a plasma device for space propulsion. It utilizes a cross-field discharge to generate a partially ionized weakly collisional plasma with magnetized electrons and non-magnetized ions. The ions are accelerated by the electric field to produce the thrust. There is a relatively large number of studies devoted to characterization of accelerated ions, including measurements of ion velocity distribution function using laser-induced fluorescence diagnostic. Interactions of these accelerated ions with neutral atoms in the thruster and the thruster plume is a subject of on-going studies, which require combined monitoring of ion and neutral velocity distributions. Herein, laser-induced fluorescence technique has been employed to study neutral and single-charged ion velocity distribution functions in a 200 W cylindrical Hall thruster operating with xenon propellant. An optical system is installed in the vacuum chamber enabling spatially resolved axial velocity measurements. The fluorescence signals are well separated from the plasma background emission by modulating the laser beam and using lock-in detectors. Measured velocity distribution functions of neutral atoms and ions at different operating parameters of the thruster are reported and analyzed. This work was supported by DOE contract DE-AC02-09CH11466.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Guo, Rui; Gao, Liming, E-mail: liming.gao@sjtu.edu.cn; Li, Ming, E-mail: mingli90@sjtu.edu.cn

As the continuous shrinkage of the interconnect line width in microelectronics devices, there is a growing concern about the electromigration (EM) failure of bonding wire. In addition, an innovative Ag–8Au–3Pd alloy wire has shown promise as an economical substitute for gold wire interconnects due to the cost pressure of gold in the last decade. In present study of the Ag–8Au–3Pd alloy wire, the surface diffusion occupied the dominant position during EM failure, and the activation energy was found to be 0.61 eV. In order to reveal the failure mechanism, the cross-sections of the Ag–8Au–3Pd alloy wire during EM were preparedmore » by focused ion beam (FIB) micro-machining for electron backscatter diffraction (EBSD) analysis. The microstructure evolution of the Ag–8Au–3Pd alloy wire was characterized by the grain size and grain boundary. As a result, the EM failure originates in the atom transportation, which causes grain size increasing and atom diffusion on the wire surface. - Highlights: • The activation energy of Ag–8Au–3Pd alloy wire was obtained as 0.61 eV. • During EM, the silver atoms diffused from negative to the positive terminal on the wire surface. • The microstructure (grain size and grain boundary) was characterized by FIB-EBSD. • During EM, the atom transportation was found to cause grain size growth and atom diffusion on the wire surface.« less

Kinetics of Fast Atoms in the Terrestrial Atmosphere

NASA Technical Reports Server (NTRS)

Kharchenko, Vasili A.; Dalgarno, A.; Mellott, Mary (Technical Monitor)

2002-01-01

This report summarizes our investigations performed under NASA Grant NAG5-8058. The three-year research supported by the Geospace Sciences SR&T program (Ionospheric, Thermospheric, and Mesospheric Physics) has been designed to investigate fluxes of energetic oxygen and nitrogen atoms in the terrestrial thermosphere. Fast atoms are produced due to absorption of the solar radiation and due to coupling between the ionosphere and the neutral thermospheric gas. We have investigated the impact of hot oxygen and nitrogen atoms on the thermal balance, chemistry and radiation properties of the terrestrial thermosphere. Our calculations have been focused on the accurate quantitative description of the thermalization of O and N energetic atoms in collisions with atom and molecules of the ambient neutral gas. Upward fluxes of oxygen and nitrogen atoms, the rate of atmospheric heating by hot oxygen atoms, and the energy input into translational and rotational-vibrational degrees of atmospheric molecules have been evaluated. Altitude profiles of hot oxygen and nitrogen atoms have been analyzed and compared with available observational data. Energetic oxygen atoms in the terrestrial atmosphere have been investigated for decades, but insufficient information on the kinetics of fast atmospheric atoms has been a main obstacle for the interpretation of observational data and modeling of the hot geocorona. The recent development of accurate computational methods of the collisional kinetics is seen as an important step in the quantitative description of hot atoms in the thermosphere. Modeling of relaxation processes in the terrestrial atmosphere has incorporated data of recent observations, and theoretical predictions have been tested by new laboratory measurements.

Body mass evolution and diversification within horses (family Equidae).

PubMed

Shoemaker, Lauren; Clauset, Aaron

2014-02-01

Horses (family Equidae) are a classic example of adaptive radiation, exhibiting a nearly 60-fold increase in maximum body mass and a peak taxonomic diversity of nearly 100 species across four continents. Such patterns are commonly attributed to niche competition, in which increased taxonomic diversity drives increased size disparity. However, neutral processes, such as macroevolutionary 'diffusion', can produce similar increases in disparity without increased diversity. Using a comprehensive database of Equidae species size estimates and a common mathematical framework, we measure the contributions of diversity-driven and diffusion-driven mechanisms for increased disparity during the Equidae radiation. We find that more than 90% of changes in size disparity are attributable to diffusion alone. These results clarify the role of species competition in body size evolution, indicate that morphological disparity and species diversity may be only weakly coupled in general, and demonstrate that large species may evolve from neutral macroevolutionary diffusion processes alone. © 2013 John Wiley & Sons Ltd/CNRS.

Magnetosphere-Ionosphere Energy Interchange in the Electron Diffuse Aurora

NASA Technical Reports Server (NTRS)

Khazanov, George V.; Glocer, Alex; Himwich, E. W.

2014-01-01

The diffuse aurora has recently been shown to be a major contributor of energy flux into the Earth's ionosphere. Therefore, a comprehensive theoretical analysis is required to understand its role in energy redistribution in the coupled ionosphere-magnetosphere system. In previous theoretical descriptions of precipitated magnetospheric electrons (E is approximately 1 keV), the major focus has been the ionization and excitation rates of the neutral atmosphere and the energy deposition rate to thermal ionospheric electrons. However, these precipitating electrons will also produce secondary electrons via impact ionization of the neutral atmosphere. This paper presents the solution of the Boltzman-Landau kinetic equation that uniformly describes the entire electron distribution function in the diffuse aurora, including the affiliated production of secondary electrons (E greater than 600 eV) and their ionosphere-magnetosphere coupling processes. In this article, we discuss for the first time how diffuse electron precipitation into the atmosphere and the associated secondary electron production participate in ionosphere-magnetosphere energy redistribution.

Effect of Intermetallic on Electromigration and Atomic Diffusion in Cu/SnAg3.0Cu0.5/Cu Joints: Experimental and First-Principles Study

NASA Astrophysics Data System (ADS)

Zhou, Wei; Liu, Lijuan; Li, Baoling; Wu, Ping

2009-06-01

Electromigration phenomena in a one-dimensional Cu/SnAg3.0Cu0.5/Cu joint were investigated with current stressing. The special effect of intermetallic compound (IMC) layers on the formation of serious electromigration damage induced by nonuniform current density distribution was discussed based on experimental results. Meanwhile, hillocks were observed both at the anode and near the cathode of the joint, and they were described as the result of diffusion of atoms and compressive stress released along grain boundaries to the relatively free surface. Moreover, the diffusion behavior of Cu at the cathode was analyzed with the electromigration equation, and the stability of Ag atoms in the solder during electromigration was evaluated with a first-principles method.

Surface diffusion in homoepitaxial SrTiO3 thin films

NASA Astrophysics Data System (ADS)

Woo, Chang-Su; Chu, Kanghyun; Song, Jong-Hyun; Yang, Chan-Ho; Charm Lab Team; Nano Spintronics Lab Collaboration

The development of growth techniques such as molecular beam epitaxy (MBE) and pulsed laser deposition (PLD) has facilitated growths of complex oxide thin films at the atomic level .... Systematic studies on surface diffusion process of adatoms using theoretical and experimental methods allow us to understand growth mechanism enabling atomically flat thin film surface. In this presentation, we introduce the synthesis of homoepitaxial SrTiO3 thin films using a PLD equipped with reflection of high energy electron diffraction (RHEED). We determine the surface diffusion time as a function of growth temperature and extract the activation energy of diffusion on the surface by in-situ monitoring the RHEED intensity recovery during the film deposition. From the extracted experimental results, we discuss the microscopic mechanism of the diffusion process

An Electron Density Source-Function Study of DNA Base Pairs in Their Neutral and Ionized Ground States†.

PubMed

Gatti, Carlo; Macetti, Giovanni; Boyd, Russell J; Matta, Chérif F

2018-07-05

The source function (SF) decomposes the electron density at any point into contributions from all other points in the molecule, complex, or crystal. The SF "illuminates" those regions in a molecule that most contribute to the electron density at a point of reference. When this point of reference is the bond critical point (BCP), a commonly used surrogate of chemical bonding, then the SF analysis at an atomic resolution within the framework of Bader's Quantum Theory of Atoms in Molecules returns the contribution of each atom in the system to the electron density at that BCP. The SF is used to locate the important regions that control the hydrogen bonds in both Watson-Crick (WC) DNA dimers (adenine:thymine (AT) and guanine:cytosine (GC)) which are studied in their neutral and their singly ionized (radical cationic and anionic) ground states. The atomic contributions to the electron density at the BCPs of the hydrogen bonds in the two dimers are found to be delocalized to various extents. Surprisingly, gaining or loosing an electron has similar net effects on some hydrogen bonds concealing subtle compensations traced to atomic sources contributions. Coarser levels of resolutions (groups, rings, and/or monomers-in-dimers) reveal that distant groups and rings often have non-negligible effects especially on the weaker hydrogen bonds such as the third weak CH⋅⋅⋅O hydrogen bond in AT. Interestingly, neither the purine nor the pyrimidine in the neutral or ionized forms dominate any given hydrogen bond despite that the former has more atoms that can act as source or sink for the density at its BCP. © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.

Synthesis and spectroscopic studies on the new Schiff base derived from the 1:2 condensation of 2,6-diformyl-4-methylphenol with 5-aminouracil (BDF5AU) and its transition metal complexes. Influence on biologically active peptides-regulating aminopeptidases.

PubMed

Hueso-Ureña, Francisco; Illán-Cabeza, Nuria A; Moreno-Carretero, Miguel N; Martínez-Martos, José M; Ramírez-Expósito, María J

2003-04-01

The synthesis, spectroscopic (IR, 1H and 13C NMR, UV-Vis-NIR, EPR), magnetic measurements and biological studies of a number of complexes of Co(II), Ni(II), Cu(II), Zn(II), Cd(II), Au(III) and Hg(II) of the Schiff base derived from the 1:2 condensation of 2,6-diformyl-4-methylphenol and 5-aminouracil, ((5-[[(3-[[(2,4-dioxopyrimidin-5(1H,3H)-yl)imino]methyl]-2-hydroxy-5-methylphenyl)methylene]amino]pyrimidine-2,4(1H,3H)-dione, hereafter denoted as BDF5AU) are reported. In all cases, the complexes appear to be monomeric. The deprotonated ligand in the phenolic oxygen atom shows a tridentate coordination mode through the two azomethine nitrogen atoms and the phenolic oxygen atom. The coordination of the neutral ligand takes place through the phenolic oxygen atom and one azomethine nitrogen atom and the carbonylic oxygen atom in fourth position of one uracil ring. The biological properties of some perchlorate complexes on the activity of some neutral, acid, basic and omega aminopeptidases (AP) are assayed, demonstrating a general inhibitory effect. Neutral and basic AP are mainly inhibited by Cu(II), Ni(II) and Cd(II) complexes, although tyrosyl-AP is activated by Zn(II) complex. Glutamyl-AP but not aspartyl-AP is inhibited by all the complexes assayed excepting Zn(II) complex. Finally, omega AP is inhibited by Ni(II) and Cd(II) complexes. Copyright 2003 Elsevier Science Inc.

Neutral Evolution in a Biological Population as Diffusion in Phenotype Space: Reproduction with Local Mutation but without Selection

NASA Astrophysics Data System (ADS)

Lawson, Daniel John; Jensen, Henrik Jeldtoft

2007-03-01

The process of “evolutionary diffusion,” i.e., reproduction with local mutation but without selection in a biological population, resembles standard diffusion in many ways. However, evolutionary diffusion allows the formation of localized peaks that undergo drift, even in the infinite population limit. We relate a microscopic evolution model to a stochastic model which we solve fully. This allows us to understand the large population limit, relates evolution to diffusion, and shows that independent local mutations act as a diffusion of interacting particles taking larger steps.

External self-gettering of nickel in float zone silicon wafers

NASA Astrophysics Data System (ADS)

Gay, N.; Martinuzzi, S.

1997-05-01

During indiffusion of Ni atoms in silicon crystals at 950 °C from a nickel layer source, Ni-Si alloys can be formed close to the surface. Metal solubility in these alloys is higher than in silicon, which induces a marked segregation gettering of the Ni atoms which have diffused in the bulk of the wafers. Consequently, the regions of the wafers covered with the Ni layer are less contaminated than adjacent regions in which Ni atoms have also penetrated, as shown by the absence of precipitates and the higher diffusion length of minority carriers. The results suggest the existence of external self-gettering of Ni atoms by the nickel source.

BCA-kMC Hybrid Simulation for Hydrogen and Helium Implantation in Material under Plasma Irradiation

NASA Astrophysics Data System (ADS)

Kato, Shuichi; Ito, Atsushi; Sasao, Mamiko; Nakamura, Hiroaki; Wada, Motoi

2015-09-01

Ion implantation by plasma irradiation into materials achieves the very high concentration of impurity. The high concentration of impurity causes the deformation and the destruction of the material. This is the peculiar phenomena in the plasma-material interaction (PMI). The injection process of plasma particles are generally simulated by using the binary collision approximation (BCA) and the molecular dynamics (MD), while the diffusion of implanted atoms have been traditionally solved by the diffusion equation, in which the implanted atoms is replaced by the continuous concentration field. However, the diffusion equation has insufficient accuracy in the case of low concentration, and in the case of local high concentration such as the hydrogen blistering and the helium bubble. The above problem is overcome by kinetic Monte Carlo (kMC) which represents the diffusion of the implanted atoms as jumps on interstitial sites in a material. In this paper, we propose the new approach ``BCA-kMC hybrid simulation'' for the hydrogen and helium implantation under the plasma irradiation.

Venus ionosphere: photochemical and thermal diffusion control of ion composition.

PubMed

Bauer, S J; Donahue, T M; Hartle, R E; Taylor, H A

1979-07-06

The major photochemical sources and sinks for ten of the ions measured by the ion mass spectrometer on the Pioneer Venus bus and orbiter spacecraft that are consistent with the neutral gas composition measured on the same spacecraft have been identified. The neutral gas temperature (Tn) as a function of solar zenith angle (chi) derived from measured ion distributions in photochemical equilibrium is given by Tn (K) = 323 cos(1/5)chi. Above 200 kilometers, the altitude behavior of ions is generally controlled by plasma diffusion, with important modifications for minor ions due to thermal diffusion resulting from the observed gradients of plasma temperatures. The dayside equilibrium distributions of ions are sometimes perturbed by plasma convection, while lateral transport of ions from the dayside seems to be a major source of the nightside ionosphere.

Reconnection in the Post-impulsive Phase of Solar Flares

NASA Astrophysics Data System (ADS)

Forbes, Terry G.; Seaton, Daniel B.; Reeves, Katharine K.

2018-05-01

Using a recently developed analytical procedure, we determine the rate of magnetic reconnection in the “standard” model of eruptive solar flares. During the late phase, the neutral line is located near the lower tip of the reconnection current sheet, and the upper region of the current sheet is bifurcated into a pair of Petschek-type shocks. Despite the presence of these shocks, the reconnection rate remains slow if the resistivity is uniform and the flow is laminar. Fast reconnection is achieved only if there is some additional mechanism that can shorten the length of the diffusion region at the neutral line. Observations of plasma flows by the X-ray telescope on Hinode imply that the diffusion region is, in fact, quite short. Two possible mechanisms for reducing the length of the diffusion region are localized resistivity and MHD turbulence.

Handbook of Basic Atomic Spectroscopic Data

National Institute of Standards and Technology Data Gateway

SRD 108 Handbook of Basic Atomic Spectroscopic Data (Web, free access)   This handbook provides a selection of the most important and frequently used atomic spectroscopic data. The compilation includes data for the neutral and singly-ionized atoms of all elements hydrogen through einsteinium (Z = 1-99). The wavelengths, intensities, and spectrum assignments are given for each element, and the data for the approximately 12,000 lines of all elements are also collected into a single table.

Precipitation of energetic neutral atoms and induced non-thermal escape fluxes from the Martian atmosphere

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lewkow, N. R.; Kharchenko, V.

2014-08-01

The precipitation of energetic neutral atoms, produced through charge exchange collisions between solar wind ions and thermal atmospheric gases, is investigated for the Martian atmosphere. Connections between parameters of precipitating fast ions and resulting escape fluxes, altitude-dependent energy distributions of fast atoms and their coefficients of reflection from the Mars atmosphere, are established using accurate cross sections in Monte Carlo (MC) simulations. Distributions of secondary hot (SH) atoms and molecules, induced by precipitating particles, have been obtained and applied for computations of the non-thermal escape fluxes. A new collisional database on accurate energy-angular-dependent cross sections, required for description of themore » energy-momentum transfer in collisions of precipitating particles and production of non-thermal atmospheric atoms and molecules, is reported with analytic fitting equations. Three-dimensional MC simulations with accurate energy-angular-dependent cross sections have been carried out to track large ensembles of energetic atoms in a time-dependent manner as they propagate into the Martian atmosphere and transfer their energy to the ambient atoms and molecules. Results of the MC simulations on the energy-deposition altitude profiles, reflection coefficients, and time-dependent atmospheric heating, obtained for the isotropic hard sphere and anisotropic quantum cross sections, are compared. Atmospheric heating rates, thermalization depths, altitude profiles of production rates, energy distributions of SH atoms and molecules, and induced escape fluxes have been determined.« less

Molecular dynamics simulations of the diffusion and coalescence of helium in tungsten

NASA Astrophysics Data System (ADS)

Zhou, Y. L.; Wang, J.; Hou, Q.; Deng, A. H.

2014-03-01

Molecular dynamics (MD) simulations are performed on the diffusion and coalescence of helium in tungsten. A new method for determining the effective capture radii (ECRs) and the dissociation energies of helium-related defects is proposed in this work. It is observed that the ECR of an interstitial helium atom trapping helium interstitials (denoted as He-Hen, n = 1-3) decreases with increasing temperature, except for He-He2 at T < 400 K. The traditional view that the ECR is approximately equal to the lattice constant, which has been widely used in kinetic Monte Carlo (KMC) and rate theory (RT) models, is only valid in some cases. However, the ECR between an interstitial helium atom and a substitutional helium atom (denoted as He-HeV) always approximates the third nearest-neighbor tetrahedral positions of the HeV. The diffusion coefficients Dn for helium clusters are also investigated. He2 migrates more quickly than a single He atom does at T < 400 K, whereas the diffusion path of He2 changes at higher temperatures. Another counterintuitive observation is that D5 > D3 > D4 at T < 500 K, which can be attributed to the disordered structure of He5. The Arrhenius relation describes the diffusion of Hen well in the temperature range from 300 K to 550 K, whereas the diffusion is not a standard thermally activated process at higher temperatures. Taken together, these results help elucidate the initial stage of helium bubble formation in tungsten as well as the requirements of long-term evolution methods such as KMC or RT models.

Individual differences in emotion processing: how similar are diffusion model parameters across tasks?

PubMed

Mueller, Christina J; White, Corey N; Kuchinke, Lars

2017-11-27

The goal of this study was to replicate findings of diffusion model parameters capturing emotion effects in a lexical decision task and investigating whether these findings extend to other tasks of implicit emotion processing. Additionally, we were interested in the stability of diffusion model parameters across emotional stimuli and tasks for individual subjects. Responses to words in a lexical decision task were compared with responses to faces in a gender categorization task for stimuli of the emotion categories: happy, neutral and fear. Main effects of emotion as well as stability of emerging response style patterns as evident in diffusion model parameters across these tasks were analyzed. Based on earlier findings, drift rates were assumed to be more similar in response to stimuli of the same emotion category compared to stimuli of a different emotion category. Results showed that emotion effects of the tasks differed with a processing advantage for happy followed by neutral and fear-related words in the lexical decision task and a processing advantage for neutral followed by happy and fearful faces in the gender categorization task. Both emotion effects were captured in estimated drift rate parameters-and in case of the lexical decision task also in the non-decision time parameters. A principal component analysis showed that contrary to our hypothesis drift rates were more similar within a specific task context than within a specific emotion category. Individual response patterns of subjects across tasks were evident in significant correlations regarding diffusion model parameters including response styles, non-decision times and information accumulation.

Vacancy Transport and Interactions on Metal Surfaces

DTIC Science & Technology

2014-03-06

prevent obtaining systematical pictures with atomic scale resolution. Thus the experiments on adatom and mono -vacancy surface diffusion on Ag(110) were...vacuum conditions with atomic scale resolution with Scanning Tunneling Microscope (STM) and Field Ion Microscope (FIM). For each investigated material...experimental conditions for creation of surface vacancies on Au(100) has been determined and observations of surface diffusion of mono vacancies has been

Soldering-induced Cu diffusion and intermetallic compound formation between Ni/Cu under bump metallization and SnPb flip-chip solder bumps

NASA Astrophysics Data System (ADS)

Huang, Chien-Sheng; Jang, Guh-Yaw; Duh, Jenq-Gong

2004-04-01

Nickel-based under bump metallization (UBM) has been widely used as a diffusion barrier to prevent the rapid reaction between the Cu conductor and Sn-based solders. In this study, joints with and without solder after heat treatments were employed to evaluate the diffusion behavior of Cu in the 63Sn-37Pb/Ni/Cu/Ti/Si3N4/Si multilayer structure. The atomic flux of Cu diffused through Ni was evaluated from the concentration profiles of Cu in solder joints. During reflow, the atomic flux of Cu was on the order of 1015-1016 atoms/cm2s. However, in the assembly without solder, no Cu was detected on the surface of Ni even after ten cycles of reflow. The diffusion behavior of Cu during heat treatments was studied, and the soldering-process-induced Cu diffusion through Ni metallization was characterized. In addition, the effect of Cu content in the solder near the solder/intermetallic compound (IMC) interface on interfacial reactions between the solder and the Ni/Cu UBM was also discussed. It is evident that the (Cu,Ni)6Sn5 IMC might form as the concentration of Cu in the Sn-Cu-Ni alloy exceeds 0.6 wt.%.

A temperature-programmed X-ray photoelectron spectroscopy (TPXPS) study of chlorine adsorption and diffusion on Ag(1 1 1)

NASA Astrophysics Data System (ADS)

Piao, H.; Adib, K.; Barteau, Mark A.

2004-05-01

Synchrotron-based temperature programmed X-ray photoelectron spectroscopy (TPXPS) has been used to investigate the surface chloridation of Ag(1 1 1) to monolayer coverages. At 100 K both atomic and molecular chlorine species are present on the surface; adsorption at 300 K or annealing the adlayer at 100 K to this temperature generates adsorbed Cl atoms. As the surface is heated from 300 to 600 K, chlorine atoms diffuse below the surface, as demonstrated by attenuation of the Cl2p signals in TPXPS experiments. Quantitative analysis of the extent of attenuation is consistent with chlorine diffusion below the topmost silver layer. For coverages in the monolayer and sub-monolayer regime, chlorine diffusion to and from the bulk appears not to be significant, in contrast to previous results obtained at higher chlorine loadings. Chlorine is removed from the surface at 650-780 K by desorption as AgCl. These results demonstrate that chlorine diffusion beneath the surface does occur at coverages and temperatures relevant to olefin epoxidation processes carried out on silver catalysts with chlorine promoters. The surface sensitivity advantages of synchrotron-based XPS experiments were critical to observing Cl diffusion to the sub-surface at low coverages.

A first-principles study of elastic and diffusion properties of magnesium based alloys

NASA Astrophysics Data System (ADS)

Ganeshan, Swetha

2011-12-01

In this thesis, the influence of alloying elements on the elastic and diffusion properties of Magnesium (Mg) has been studied based on first-principles density functional theory. The stress-strain method has been used to predict the elastic constants of the Mg based alloys studied herein. This method involves calculating the resultant change in stress due to application of strain. The validity of this method has been successfully tested for both 0K as well as at finite temperatures. The elastic constants predicted in this work have been correlated to ductility, fracture toughness, stiffness, elastic anisotropy and bond directionality, thus providing a better understanding of the influence of alloying elements on the mechanical and physical properties of Mg. Elastic constants, as a function of temperature have been predicted using first-principles quasi-static approximation. In this approach elastic stiffness coefficients calculated with respect to volume (cij( V)) have been correlated to the equilibrium volume as a function of temperature V(T) from phonon calculations to obtain temperature dependence of elastic stiffness coefficients cij(T). To compare our calculated temperature dependent elastic constants with that of experiments an isentropic correction term has been introduced. It is seen that the influence of this isentropic correction term on the elastic constants becomes significant at high temperatures. The quasi-static approximation has been primarily applied to calculate temperature dependent elastic constants of Mg2Ge, Mg2Si, Mg 2Sn and Mg2Pb. In the case of dilute Mg alloys, a 36 atom supercell with 35 atoms of Mg and one atom of the alloying impurity has been used for calculating the corresponding elastic constants. It is seen that there is a direct correspondence between the trends in the elastic constants and the lattice parameters of all the Mg based alloys studied herein. Elements that cause a decrease (increase) in the lattice constants result in an increase (decrease) in the bulk modulus. Self-diffusion calculations of Mg have been performed within both LDA and GGA. It is seen that, in the absence of surface corrections, while results of the two approximations (i.e. LDA and GGA) bound experimental data, better agreement is seen with respect to results from LDA, in comparison with experimental measurements. The effect of thermal expansion on the diffusivity of Mg has been studied using both HA and QHA. It is seen that the influence of anharmonicity on the diffusivity of Mg is negligible. Self-diffusion of Mg is faster in the basal plane than between adjacent basal planes. Partial correlation factors corresponding to the diffusion of a Mg atom from one basal plane to the adjacent basal plane, i.e. fBx and fBz, decrease with temperature whereas the partial correlation factor corresponding to the diffusion of Mg atom within the basal plane, i.e. fAx , increases with temperature. The ratio of jump frequencies w⊥/w∥ for self-diffusion of Mg increase with increase in temperature. The method used to calculate self-diffusion coefficients has been extended to compute impurity diffusion coefficients of Al, Ca, Sn and Zn in Mg. For these calculations, a 36 atom supercell with 1 vacant site and 1 impurity has been used. The 8-frequencey model has been implemented to obtain the different atom jump frequencies in order to calculate impurity diffusion coefficients in Mg. The trend in the impurity diffusion coefficients, with the exception of DZn-Mg is as follows: D Mg-Ca>DMg>DMg-Sn> DMg-Al. For impurity diffusion of Zn in Mg, at high temperatures DMg-Zn overlaps with that of DMg-Al , while at low temperatures it overlaps with that of D Mg-Sn. The different atom jump frequencies computed during the diffusion calculations are seen to be temperature dependent, increasing with increase in temperature. The correlation factors for all the alloy systems considered herein, is close to 1. This is expected to be due to the close packing of Mg lattice. (Abstract shortened by UMI.)

Atom chip microscopy: A novel probe for strongly correlated materials

NASA Astrophysics Data System (ADS)

Kasch, Brian; Naides, Matthew; Turner, Richard; Ray, Ushnish; Lev, Benjamin

2010-03-01

Atom chip technology---substrates supporting micron-sized current-carrying wires that create magnetic microtraps near surfaces for thermal or degenerate gases of neutral atoms---will enable single-shot, large area detection of magnetic flux below the 10-7 flux quantum level. By harnessing the extreme sensitivity of Bose-Einstein condensates (BECs) to external perturbations, cryogenic atom chips could provide a magnetic flux detection capability that surpasses all other techniques by a factor of 10^2--10^3. We describe the merits of atom chip microscopy, our Rb BEC and atom chip apparatus, and prospects for imaging strongly correlated condensed matter materials.

Self-learning kinetic Monte Carlo simulations of diffusion in ferromagnetic α-Fe-Si alloys

NASA Astrophysics Data System (ADS)

Nandipati, Giridhar; Jiang, Xiujuan; Vemuri, Rama S.; Mathaudhu, Suveen; Rohatgi, Aashish

2018-01-01

Diffusion of Si atom and vacancy in the A2-phase of α-Fe-Si alloys in the ferromagnetic state, with and without magnetic order and in various temperature ranges, are studied using AKSOME, an on-lattice self-learning KMC code. Diffusion of the Si atom and the vacancy are studied in the dilute limit and up to 12 at.% Si, respectively, in the temperature range 350-700 K. Local Si neighborhood dependent activation energies for vacancy hops were calculated on-the-fly using a broken-bond model based on pairwise interaction. The migration barrier and prefactor for the Si diffusion in the dilute limit were obtained and found to agree with published data within the limits of uncertainty. Simulations results show that the prefactor and the migration barrier for the Si diffusion are approximately an order of magnitude higher, and a tenth of an electron-volt higher, respectively, in the magnetic disordered state than in the fully ordered state. However, the net result is that magnetic disorder does not have a significant effect on Si diffusivity within the range of parameters studied in this work. Nevertheless, with increasing temperature, the magnetic disorder increases and its effect on the Si diffusivity also increases. In the case of vacancy diffusion, with increasing Si concentration, its diffusion prefactor decreases while the migration barrier more or less remained constant and the effect of magnetic disorder increases with Si concentration. Important vacancy-Si/Fe atom exchange processes and their activation barriers were identified, and the effect of energetics on ordered phase formation in Fe-Si alloys are discussed.

Enhanced water purification: a single atom makes a difference.

PubMed

Stewart, Tom A; Trudell, Daniel E; Alam, Todd M; Ohlin, C André; Lawler, Christian; Casey, William H; Jett, Stephen; Nyman, May

2009-07-15

The aluminum Keggin polycation (Al13) has been identified as an effective specie for neutralization and coagulation of anionic contaminants in water. In this study, we compare efficacy of the aluminum Keggin-ion to the analogues containing a single Ga-atom or single Ge-atom (GaAl12 and GeAl12, respectively) substituted into the center of the polycation in water-treatment studies. We investigated removal of bacteriophage (model viruses), Cryptosporidium, dissolved organic carbon (DOC), and turbidity. In every study, the order of contaminant removal efficacy trends GaAl12 > Al13 > GeAl12. By ESI MS (electrospray ionization mass spectrometry), we noted the GaAl12 deprotonates least of the three aluminum polycations, and thus probably carries the highest charge, and also optimal contaminant-neutralization ability. The ESI MS studies of the aluminum polycation solutions, as well as solid-state characterization of their resulting precipitates both reveal some conversion of Al13 to larger polycations, Al30 for instance. The GaAl12 does not show any evidence for this alteration that is responsible for poor shelf life of commercial prehydrolyzed aluminum coagulants such as polyaluminum chloride. Based on these studies, we conclude that substitution of a single Ga-atom in the center of the aluminum Keggin polycation produces an optimal water-treatment product due to enhanced shelf life and efficacy in neutralization of anionic contaminants.

V. S. Lebedev and I. L. Beigman, Physics of Highly Excited Atoms and Ions

NASA Astrophysics Data System (ADS)

Mewe, R.

1999-07-01

This book contains a comprehensive description of the basic principles of the theoretical spectroscopy and experimental spectroscopic diagnostics of Rydberg atoms and ions, i.e., atoms in highly excited states with a very large principal quantum number (n≫1). Rydberg atoms are characterized by a number of peculiar physical properties as compared to atoms in the ground or a low excited state. They have a very small ionization potential (∝1/n2), the highly excited electron has a small orbital velocity (∝1/n), the radius (∝n2) is very large, the excited electron has a long orbital period (∝n3), and the radiation lifetime is very long (∝n3-5). At the same time the R. atom is very sensitive to perturbations from external fields in collisions with charged and neutral targets. In recent years, R. atoms have been observed in laboratory and cosmic conditions for n up to ˜1000, which means that the size amounts to about 0.1 mm, ˜106 times that of an atom in the ground state. The scope of this monograph is to familiarize the reader with today's approaches and methods for describing isolated R. atoms and ions, radiative transitions between highly excited states, and photoionization and photorecombination processes. The authors present a number of efficient methods for describing the structure and properties of R. atoms and calculating processes of collisions with neutral and charged particles as well as spectral-line broadening and shift of Rydberg atomic series in gases, cool and hot plasmas in laboratories and in astrophysical sources. Particular attention is paid to a comparison of theoretical results with available experimental data. The book contains 9 chapters. Chapter 1 gives an introduction to the basic properties of R. atoms (ions), Chapter 2 is devoted to an account of general methods describing an isolated Rydberg atom. Chapter 3 is focussed on the recent achievements in calculations of form factors and dipole matrix elements of different types of bound-bound and bound-free radiative transitions. Chapter 4 concentrates on the formulation of basic theoretical methods and physical approaches to collisions involving R. atoms. Chapters 5 to 8 contain a systematic description of major directions and modern techniques in the collision theory of R. atoms and ions with atoms, molecules, electrons, and ions. Finally, Chapter 9 deals with the spectral-line broadening and shift of R. atomic series induced by collisions with neutral and charged particles. A subject index of four pages and 250 references are given. This monograph will be a basic tool and reference for all scientists working in the fields of plasma physics, spectroscopy, physics of electronic and atomic collisions, as well as astrophysics, radio astronomy, and space physics.

Solid-State Diffusional Behaviors of Functional Metal Oxides at Atomic Scale.

PubMed

Chen, Jui-Yuan; Huang, Chun-Wei; Wu, Wen-Wei

2018-02-01

Metal/metal oxides have attracted extensive research interest because of their combination of functional properties and compatibility with industry. Diffusion and thermal reliability have become essential issues that require detailed study to develop atomic-scaled functional devices. In this work, the diffusional reaction behavior that transforms piezoelectric ZnO into magnetic Fe 3 O 4 is investigated at the atomic scale. The growth kinetics of metal oxides are systematically studied through macro- and microanalyses. The growth rates are evaluated by morphology changes, which determine whether the growth behavior was a diffusion- or reaction-controlled process. Furthermore, atom attachment on the kink step is observed at the atomic scale, which has important implications for the thermodynamics of functional metal oxides. Faster growth planes simultaneously decrease, which result in the predominance of low surface energy planes. These results directly reveal the atomic formation process of metal oxide via solid-state diffusion. In addition, the nanofabricated method provides a novel approach to investigate metal oxide evolution and sheds light on diffusional reaction behavior. More importantly, the results and phenomena of this study provide considerable inspiration to enhance the material stability and reliability of metal/oxide-based devices. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Investigating Global Ion and Neutral Atom Populations with IBEX and Voyager

NASA Technical Reports Server (NTRS)

Florinski, Vladimir

2016-01-01

The main objective of this project was to investigate pickup ion (PUI) production in the solar wind and heliosheath (the region between the termination shock and the heliopause) and compute the distributed energetic neutral atom fluxes throughout the helioshpere. The simulations were constrained by comparing the model output against observations from Ulysses, New Horizons, Voyager 1 and 2, and IBEX space probes. As evidenced by the number of peer reviewed journal publications resulting from the project (13 plus three submitted) and their citation rate (156 citations over three years), the project has made a lasting contribution to the field. The outcome is a significant improvement of our understanding of the pickup ion production and distribution in the distant heliosphere. The team has accomplished the entire set of tasks A-H set forth in the proposal. Namely, the transport modeling framework has been augmented with two populations of pickup ions (PUIs), the boundary conditions for the plasma and interstellar neutral hydrogen were verified against Ulysses and New Horizons PUI and an optimal set of velocity diffusion parameters established. The multi-component fluxes of PUIs were computed and isotropic velocity distributions generated for each cell in the computer simulation that covered the heliosphere from 1.5 AU to the heliopause. The distributions were carefully compared with in situ measurements at 3 AU (Ulysses), 12 AU (New Horizons), and 80-90 AU (Voyager 1 and 2) as well as those inferred from ENA fluxes measured by Cassini and IBEX (Wu et al., 2016). Some examples of modeldata comparison are shown in Figure 1. We have used coupled MHD-plasma and kinetic-neutral code to investigate the likely range of plasma and magnetic field parameters in the local interstellar medium (LISM), based on the assumption that the shape of the IBEX ribbon could be used to determine the orientation of the interstellar magnetic field. While the magnetic field is believed to be oriented toward the center of the ribbon, constraining its strength requires comparing the model-predicted angular diameter and circularity of the ribbon with the observations. The study, published in Heerikhuisen et al. (2014), found that the most likely range for the LISM magnetic field strength is between 0.2 and 0.3 nT, which is less than previously thought. Figure 2 shows the IBEX data (left) and compares it to the simulation with a 0.2 nT interstellar magnetic field (center) and a 0.4 nT (right).

Laser Cooling of Neutral Atoms.

DTIC Science & Technology

1983-12-01

Assumptions and Scope ........oo......469....... II. Theory of the Resonance Radiation Force ........... 7 .’ Introduction o ..... - ... o7 General Explanation...areas. First, the initial velocity distribution for the atoms are needed. This information is developed in Ramsey’s book (Ref 12). Second, a general ...theory of the interaction of light with an atom is required. A general theory of resonance radiation pressure of light is developed from quantum

State-dependent fluorescence of neutral atoms in optical potentials

NASA Astrophysics Data System (ADS)

Martinez-Dorantes, M.; Alt, W.; Gallego, J.; Ghosh, S.; Ratschbacher, L.; Meschede, D.

2018-02-01

Recently we have demonstrated scalable, nondestructive, and high-fidelity detection of the internal state of 87Rb neutral atoms in optical dipole traps using state-dependent fluorescence imaging [M. Martinez-Dorantes, W. Alt, J. Gallego, S. Ghosh, L. Ratschbacher, Y. Völzke, and D. Meschede, Phys. Rev. Lett. 119, 180503 (2017), 10.1103/PhysRevLett.119.180503]. In this paper we provide experimental procedures and interpretations to overcome the detrimental effects of heating-induced trap losses and state leakage. We present models for the dynamics of optically trapped atoms during state-dependent fluorescence imaging and verify our results by comparing Monte Carlo simulations with experimental data. Our systematic study of dipole force fluctuations heating in optical traps during near-resonant illumination shows that off-resonant light is preferable for state detection in tightly confining optical potentials.

High efficiency direct detection of ions from resonance ionization of sputtered atoms

DOEpatents

Gruen, Dieter M.; Pellin, Michael J.; Young, Charles E.

1986-01-01

A method and apparatus are provided for trace and other quantitative analysis with high efficiency of a component in a sample, with the analysis involving the removal by ion or other bombardment of a small quantity of ion and neutral atom groups from the sample, the conversion of selected neutral atom groups to photoions by laser initiated resonance ionization spectroscopy, the selective deflection of the photoions for separation from original ion group emanating from the sample, and the detection of the photoions as a measure of the quantity of the component. In some embodiments, the original ion group is accelerated prior to the RIS step for separation purposes. Noise and other interference are reduced by shielding the detector from primary and secondary ions and deflecting the photoions sufficiently to avoid the primary and secondary ions.

High efficiency direct detection of ions from resonance ionization of sputtered atoms

DOEpatents

Gruen, D.M.; Pellin, M.J.; Young, C.E.

1985-01-16

A method and apparatus are provided for trace and other quantitative analysis with high efficiency of a component in a sample, with the analysis involving the removal by ion or other bombardment of a small quantity of ion and neutral atom groups from the sample, the conversion of selected neutral atom groups to photoions by laser initiated resonance ionization spectroscopy, the selective deflection of the photoions for separation from original ion group emanating from the sample, and the detection of the photoions as a measure of the quantity of the component. In some embodiments, the original ion group is accelerated prior to the RIS step for separation purposes. Noise and other interference are reduced by shielding the detector from primary and secondary ions and deflecting the photoions sufficiently to avoid the primary and secondary ions.

Material interactions with the Low Earth Orbital (LEO) environment: Accurate reaction rate measurements

NASA Technical Reports Server (NTRS)

Visentine, James T.; Leger, Lubert J.

1987-01-01

To resolve uncertainties in estimated LEO atomic oxygen fluence and provide reaction product composition data for comparison to data obtained in ground-based simulation laboratories, a flight experiment has been proposed for the space shuttle which utilizes an ion-neutral mass spectrometer to obtain in-situ ambient density measurements and identify reaction products from modeled polymers exposed to the atomic oxygen environment. An overview of this experiment is presented and the methodology of calibrating the flight mass spectrometer in a neutral beam facility prior to its use on the space shuttle is established. The experiment, designated EOIM-3 (Evaluation of Oxygen Interactions with Materials, third series), will provide a reliable materials interaction data base for future spacecraft design and will furnish insight into the basic chemical mechanisms leading to atomic oxygen interactions with surfaces.

Analysis of Plasma Communication Schemes for Hypersonic Vehicles: Final Report

DTIC Science & Technology

2009-02-01

repel the more mobile species. In this way quasi -neutrality can be maintained in the plasma. The potential drops near the conducting surfaces are of... potential VM cannot be determined from a quasi - neutral diffusion theory and depends on the details of sheath physics at electrode surfaces. In the...the mid potential VM, which cannot be determined by simple quasi -neutral fluid theory, is in general a function of L. This L dependence, which

The impact of exospheric neutral dynamics on ring current decay

NASA Astrophysics Data System (ADS)

Ilie, R.; Liemohn, M. W.; Skoug, R. M.; Funsten, H. O.; Gruntman, M.; Bailey, J. J.; Toth, G.

2015-12-01

The geocorona plays an important role in the energy budget of the Earth's inner magnetosphere since charge exchange of energetic ions with exospheric neutrals makes the exosphere act as an energy sink for ring current particles. Long-term ring current decay following a magnetic storm is mainly due to these electron transfer reactions, leading to the formation energetic neutral atoms (ENAs) that leave the ring current system on ballistic trajectories. The number of ENAs emitted from a given region of space depends on several factors, such as the energy and species of the energetic ion population in that region and the density of the neutral gas with which the ions undergo charge exchange. However, the density and structure of the exosphere are strongly dependent on changes in atmospheric temperature and density as well as charge exchange with the ions of plasmaspheric origin, which depletes the geocorona (by having a neutral removed from the system). Moreover, the radiation pressure exerted by solar far-ultraviolet photons pushes the geocoronal hydrogen away from the Earth in an anti-sunward direction to form a tail of neutral hydrogen. TWINS ENA images provide a direct measurement of these ENA losses and therefore insight into the dynamics of the ring current decay through interactions with the geocorona. We assess the influence of geocoronal neutrals on ring current formation and decay by analysis of the predicted ENA emissions using 6 different geocoronal models and simulations from the HEIDI ring current model during storm time. Comparison with TWINS ENA images shows that the location of the peak ENA enhancements is highly dependent on the distribution of geocoronal hydrogen density. We show that the neutral dynamics has a strong influence on the time evolution of the ring current populations as well as on the formation of energetic neutral atoms.

Atomistic models of vacancy-mediated diffusion in silicon

NASA Astrophysics Data System (ADS)

Dunham, Scott T.; Wu, Can Dong

1995-08-01

Vacancy-mediated diffusion of dopants in silicon is investigated using Monte Carlo simulations of hopping diffusion, as well as analytic approximations based on atomistic considerations. Dopant/vacancy interaction potentials are assumed to extend out to third-nearest neighbor distances, as required for pair diffusion theories. Analysis focusing on the third-nearest neighbor sites as bridging configurations for uncorrelated hops leads to an improved analytic model for vacancy-mediated dopant diffusion. The Monte Carlo simulations of vacancy motion on a doped silicon lattice verify the analytic results for moderate doping levels. For very high doping (≳2×1020 cm-3) the simulations show a very rapid increase in pair diffusivity due to interactions of vacancies with more than one dopant atom. This behavior has previously been observed experimentally for group IV and V atoms in silicon [Nylandsted Larsen et al., J. Appl. Phys. 73, 691 (1993)], and the simulations predict both the point of onset and doping dependence of the experimentally observed diffusivity enhancement.

Oxygen-induced high diffusion rate of magnesium dopants in GaN/AlGaN based UV LED heterostructures.

PubMed

Michałowski, Paweł Piotr; Złotnik, Sebastian; Sitek, Jakub; Rosiński, Krzysztof; Rudziński, Mariusz

2018-05-23

Further development of GaN/AlGaN based optoelectronic devices requires optimization of the p-type material growth process. In particular, uncontrolled diffusion of Mg dopants may decrease the performance of a device. Thus it is meaningful to study the behavior of Mg and the origins of its diffusion in detail. In this work we have employed secondary ion mass spectrometry to study the diffusion of magnesium in GaN/AlGaN structures. We show that magnesium has a strong tendency to form Mg-H complexes which immobilize Mg atoms and restrain their diffusion. However, these complexes are not present in samples post-growth annealed in an oxygen atmosphere or Al-rich AlGaN structures which naturally have a high oxygen concentration. In these samples, more Mg atoms are free to diffuse and thus the average diffusion length is considerably larger than for a sample annealed in an inert atmosphere.

Effects of a wavy neutral sheet on cosmic ray anisotropies

NASA Technical Reports Server (NTRS)

Kota, J.; Jokipii, J. R.

1985-01-01

The first results of a three-dimensional numerical code calculating cosmic ray anisotropies is presented. The code includes diffusion, convection, adiabatic cooling, and drift in an interplanetary magnetic field model containing a wavy neutral sheet. The 3-D model can reproduce all the principal observations for a reasonable set of parameters.

Modeling Neutral Densities Downstream of a Gridded Ion Thruster

NASA Technical Reports Server (NTRS)

Soulas, George C.

2010-01-01

The details of a model for determining the neutral density downstream of a gridded ion thruster are presented. An investigation of the possible sources of neutrals emanating from and surrounding a NEXT ion thruster determined that the most significant contributors to the downstream neutral density include discharge chamber neutrals escaping through the perforated grids, neutrals escaping from the neutralizer, and vacuum facility background neutrals. For the neutral flux through the grids, near- and far-field equations are presented for rigorously determining the neutral density downstream of a cylindrical aperture. These equations are integrated into a spherically-domed convex grid geometry with a hexagonal array of apertures for determining neutral densities downstream of the ion thruster grids. The neutrals escaping from an off-center neutralizer are also modeled assuming diffuse neutral emission from the neutralizer keeper orifice. Finally, the effect of the surrounding vacuum facility neutrals is included and assumed to be constant. The model is used to predict the neutral density downstream of a NEXT ion thruster with and without neutralizer flow and a vacuum facility background pressure. The impacts of past simplifying assumptions for predicting downstream neutral densities are also examined for a NEXT ion thruster.

Electrochemical mercerization, souring, and bleaching of textiles

DOEpatents

Cooper, J.F.

1995-10-10

Economical, pollution-free treatment of textiles occurs in a low voltage electrochemical cell that mercerizes (or scours), sours, and optionally bleaches without effluents and without the purchase of bulk caustic, neutralizing acids, or bleaches. The cell produces base in the cathodic chamber for mercerization and an equivalent amount of acid in the anodic chamber for neutralizing the fabric. Gas diffusion electrodes are used for one or both electrodes and may simultaneously generate hydrogen peroxide for bleaching. The preferred configuration is a stack of bipolar electrodes, in which one or both of the anode and cathode are gas diffusion electrodes, and where no hydrogen gas is evolved at the cathode. 5 figs.

A New Proof of the Expected Frequency Spectrum under the Standard Neutral Model.

PubMed

Hudson, Richard R

2015-01-01

The sample frequency spectrum is an informative and frequently employed approach for summarizing DNA variation data. Under the standard neutral model the expectation of the sample frequency spectrum has been derived by at least two distinct approaches. One relies on using results from diffusion approximations to the Wright-Fisher Model. The other is based on Pólya urn models that correspond to the standard coalescent model. A new proof of the expected frequency spectrum is presented here. It is a proof by induction and does not require diffusion results and does not require the somewhat complex sums and combinatorics of the derivations based on urn models.

Reduction of ion thermal diffusivity associated with the transition of the radial electric field in neutral-beam-heated plasmas in the large helical device.

PubMed

Ida, K; Funaba, H; Kado, S; Narihara, K; Tanaka, K; Takeiri, Y; Nakamura, Y; Ohyabu, N; Yamazaki, K; Yokoyama, M; Murakami, S; Ashikawa, N; deVries, P C; Emoto, M; Goto, M; Idei, H; Ikeda, K; Inagaki, S; Inoue, N; Isobe, M; Itoh, K; Kaneko, O; Kawahata, K; Khlopenkov, K; Komori, A; Kubo, S; Kumazawa, R; Liang, Y; Masuzaki, S; Minami, T; Miyazawa, J; Morisaki, T; Morita, S; Mutoh, T; Muto, S; Nagayama, Y; Nakanishi, H; Nishimura, K; Noda, N; Notake, T; Kobuchi, T; Ohdachi, S; Ohkubo, K; Oka, Y; Osakabe, M; Ozaki, T; Pavlichenko, R O; Peterson, B J; Sagara, A; Saito, K; Sakakibara, S; Sakamoto, R; Sanuki, H; Sasao, H; Sasao, M; Sato, K; Sato, M; Seki, T; Shimozuma, T; Shoji, M; Suzuki, H; Sudo, S; Tamura, N; Toi, K; Tokuzawa, T; Torii, Y; Tsumori, K; Yamamoto, T; Yamada, H; Yamada, I; Yamaguchi, S; Yamamoto, S; Yoshimura, Y; Watanabe, K Y; Watari, T; Hamada, Y; Motojima, O; Fujiwara, M

2001-06-04

Recent large helical device experiments revealed that the transition from ion root to electron root occurred for the first time in neutral-beam-heated discharges, where no nonthermal electrons exist. The measured values of the radial electric field were found to be in qualitative agreement with those estimated by neoclassical theory. A clear reduction of ion thermal diffusivity was observed after the mode transition from ion root to electron root as predicted by neoclassical theory when the neoclassical ion loss is more dominant than the anomalous ion loss.

Electrochemical mercerization, souring, and bleaching of textiles

DOEpatents

Cooper, John F.

1995-01-01

Economical, pollution-free treatment of textiles occurs in a low voltage electrochemical cell that mercerizes (or scours), sours, and optionally bleaches without effluents and without the purchase of bulk caustic, neutralizing acids, or bleaches. The cell produces base in the cathodic chamber for mercerization and an equivalent amount of acid in the anodic chamber for neutralizing the fabric. Gas diffusion electrodes are used for one or both electrodes and may simultaneously generate hydrogen peroxide for bleaching. The preferred configuration is a stack of bipolar electrodes, in which one or both of the anode and cathode are gas diffusion electrodes, and where no hydrogen gas is evolved at the cathode.

Sentiment Diffusion of Public Opinions about Hot Events: Based on Complex Network

PubMed Central

Hao, Xiaoqing; An, Haizhong; Zhang, Lijia; Li, Huajiao; Wei, Guannan

2015-01-01

To study the sentiment diffusion of online public opinions about hot events, we collected people’s posts through web data mining techniques. We calculated the sentiment value of each post based on a sentiment dictionary. Next, we divided those posts into five different orientations of sentiments: strongly positive (P), weakly positive (p), neutral (o), weakly negative (n), and strongly negative (N). These sentiments are combined into modes through coarse graining. We constructed sentiment mode complex network of online public opinions (SMCOP) with modes as nodes and the conversion relation in chronological order between different types of modes as edges. We calculated the strength, k-plex clique, clustering coefficient and betweenness centrality of the SMCOP. The results show that the strength distribution obeys power law. Most posts’ sentiments are weakly positive and neutral, whereas few are strongly negative. There are weakly positive subgroups and neutral subgroups with ppppp and ooooo as the core mode, respectively. Few modes have larger betweenness centrality values and most modes convert to each other with these higher betweenness centrality modes as mediums. Therefore, the relevant person or institutes can take measures to lead people’s sentiments regarding online hot events according to the sentiment diffusion mechanism. PMID:26462230

Laser excited atomic fluorescence spectrometry as a powerful tool for analytical applications and spectroscopic studies

NASA Astrophysics Data System (ADS)

Gornushkin, Igor B.

1997-12-01

Laser-excited atomic fluorescence spectrometry (LEAFS) with a novel diffusive tube electrothermal atomizer (ETA) has been used for the study of atomization and diffusion processes and for the direct trace analysis of complex matrices. A novel ETA was a graphite tube sealed by two graphite electrodes. A sample was introduced into the tube and the furnace assembly was heated. The vaporized sample diffused through the hot graphite and the atomic fraction of the vapor was excited by a tunable dye laser above the tube. Temporal behavior of atomic fluorescence of Cu, Ag, and Ni atoms, diffused through the furnace tube, was studied at different temperatures; the values for activation energies and diffusion coefficients were derived on the basis of the diffusion/vaporization kinetic model. The femtogram/nanogram concentrations of silver were determined in coastal Atlantic water and soil samples. Use of the new ETA resulted in significant reduction of matrix interferences, ultra-low limits of detection, good accuracy and precision. LEAFS coupled with laser ablation (LA) was studied in terms of its analytical and spectroscopic potential. Low concentrations of lead (0.15 ppm-750 ppm) in metallic matrices (copper, brass, steel, and zinc) were measured in a low pressure argon atmosphere. No matrix effect was observed, providing a universal calibration curve for all samples. A limit of detection of 22 ppb (0.5 fg) was achieved. Also, the lifetime of the metastable 6p21D level of lead was measured and found to be in good agreement with the literature data. A simple open-air LA-LEAFS system was used for the determination of cobalt in solid matrices (graphite, soil, and steel). The fluorescence of cobalt was excited from a level which was already populated in the ablation plasma and was monitored at the Stokes-shifted wavelength. Detection limits in the ppb to ppm range and linearity over four orders of magnitude were achieved. The resonance shadowgraph technique has been developed for time-resolved imaging of laser-produced plasmas. The shadowgraphs were obtained by igniting the plasma on the lead or tin surface and by illuminating the plasma by a laser tuned in resonance with a strong atomic transition. UV-photodecomposition of lead and tin clusters was visualized. The evolution of the plasmas was studied at different pressures of argon. A shock wave produced by the laser ablation was monitored and its speed was measured.

Neutral atom analyzers for diagnosing hot plasmas: A review of research at the ioffe physicotechnical institute

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kislyakov, A. I.; Petrov, M. P.

2009-07-15

Research on neutral particle diagnostics of thermonuclear plasmas that has been carried out in recent years at the Ioffe Physicotechnical Institute of the Russian Academy of Sciences (St. Petersburg, Russia) is reviewed. Work on the creation and improvement of neutral atom analyzers was done in two directions: for potential applications (in particular, on the International Thermonuclear Experimental Reactor, which is now under construction at Cadarache in France) and for investigation of the ion plasma component in various devices (in particular, in the largest tokamaks, such as JET, TFTR, and JT-60). Neutral atom analyzers are the main tool for studying themore » behavior of hydrogen ions and isotopes in magnetic confinement systems. They make it possible to determine energy spectra, to perform the isotope analysis of atom fluxes from the plasma, to measure the absolute intensity of the fluxes, and to record how these parameters vary with time. A comparative description of the analyzers developed in recent years at the Ioffe Institute is given. These are ACORD-12/24 analyzers for recording 0.2-100-keV hydrogen and deuterium atoms with a tunable range of simultaneously measured energies, CNPA compact analyzers for a fixed energy gain in the ranges 80-1000 eV and 0.8-100 keV, an ISEP analyzer for simultaneously recording the atoms of all the three hydrogen isotopes (H, D, and T) in the energy range 5-700 keV, and GEMMA analyzers for recording atom fluxes of hydrogen and helium isotopes in the range 0.1-4 MeV. The scintillating detectors of the ISEP and GEMMA analyzers have a lowered sensitivity to neutrons and thus can operate without additional shielding in neutron fields of up to 10{sup 9} n/(cm{sup 2} s). These two types of analyzers, intended to operate under deuterium-tritium plasma conditions, are prototypes of atom analyzers created at the Ioffe Institute for use in the International Thermonuclear Experimental Reactor. With these analyzers, a number of new results have been obtained in recent years in various devices. Some results are presented from investigation of ions in the Globus-M spherical tokamak, the W7-AS stellarator, and the JET tokamak by means of the analyzers developed at the Ioffe Institute. Challenges and opportunities for applying these diagnostics in the International Thermonuclear Experimental Reactor project are discussed.« less

Germylenes: structures, electron affinities, and singlet-triplet gaps of the conventional XGeCY(3) (X = H, F, Cl, Br, and I; Y = F and Cl) species and the unexpected cyclic XGeCY(3) (Y = Br and I) systems.

PubMed

Bundhun, Ashwini; Abdallah, Hassan H; Ramasami, Ponnadurai; Schaefer, Henry F

2010-12-23

A systematic investigation of the X-Ge-CY(3) (X = H, F, Cl, Br, and I; Y = F, Cl, Br, and I) species is carried out using density functional theory. The basis sets used for all atoms (except iodine) in this work are of double-ζ plus polarization quality with additional s- and p-type diffuse functions, and denoted DZP++. Vibrational frequency analyses are performed to evaluate zero-point energy corrections and to determine the nature of the stationary points located. Predicted are four different forms of neutral-anion separations: adiabatic electron affinity (EA(ad)), zero-point vibrational energy corrected EA(ad(ZPVE)), vertical electron affinity (EA(vert)), and vertical detachment energy (VDE). The electronegativity (χ) reactivity descriptor for the halogens (X = F, Cl, Br, and I) is used as a tool to assess the interrelated properties of these germylenes. The topological position of the halogen atom bound to the divalent germanium center is well correlated with the trend in the electron affinities and singlet-triplet gaps. For the expected XGeCY(3) structures (X = H, F, Cl, Br, and I; Y = F and Cl), the predicted trend in the electron affinities is well correlated with simpler germylene derivatives (J. Phys. Chem. A 2009, 113, 8080). The predicted EA(ad(ZPVE)) values with the BHLYP functional range from 1.66 eV (FGeCCl(3)) to 2.20 eV (IGeCF(3)), while the singlet-triplet splittings range from 1.28 eV (HGeCF(3)) to 2.22 eV (FGeCCl(3)). The XGeCY(3) (Y = Br and I) species are most often characterized by three-membered cyclic systems involving the divalent germanium atom, the carbon atom, and a halogen atom.

Midplane neutral density profiles in the National Spherical Torus Experiment

DOE PAGES

Stotler, D. P.; Scotti, F.; Bell, R. E.; ...

2015-08-13

Atomic and molecular density data in the outer midplane of NSTX [Ono et al., Nucl. Fusion 40, 557 (2000)] are inferred from tangential camera data via a forward modeling procedure using the DEGAS 2 Monte Carlo neutral transport code. The observed Balmer-β light emission data from 17 shots during the 2010 NSTX campaign display no obvious trends with discharge parameters such as the divertor Balmer-α emission level or edge deuterium ion density. Simulations of 12 time slices in 7 of these discharges produce molecular densities near the vacuum vessel wall of 2–8 × 10 17 m –3 and atomic densitiesmore » ranging from 1 to 7 ×10 16 m –3; neither has a clear correlation with other parameters. Validation of the technique, begun in an earlier publication, is continued with an assessment of the sensitivity of the simulated camera image and neutral densities to uncertainties in the data input to the model. The simulated camera image is sensitive to the plasma profiles and virtually nothing else. The neutral densities at the vessel wall depend most strongly on the spatial distribution of the source; simulations with a localized neutral source yield densities within a factor of two of the baseline, uniform source, case. Furthermore, the uncertainties in the neutral densities associated with other model inputs and assumptions are ≤ 50%.« less

Diffusion of One-Dimensional Crystals in Channels of Single-Walled Carbon Nanotubes

NASA Astrophysics Data System (ADS)

Zhigalina, V. G.; Kumskov, A. S.; Falaleev, N. S.; Vasiliev, A. L.; Kiselev, N. A.

2018-05-01

The transport of one-dimensional CuI crystals in channels of single-walled carbon nanotubes (SWCNTs) has been studied by high resolution electron microscopy. The diffusion kinetics has been investigated by counting the number of CuI atoms escaping from the nanotube channel. The diffusivity is calculated to be 6.8 × 10-21 m2/s, which corresponds to an activation-barrier height of 1 eV/atom. A comparison with the theoretically estimated height of the energy barrier for molecular transport through a graphene layer is indicative of mass transfer through vacancy defects in graphene.

Thermal diffusivity of diamond nanowires studied by laser assisted atom probe tomography

NASA Astrophysics Data System (ADS)

Arnoldi, L.; Spies, M.; Houard, J.; Blum, I.; Etienne, A.; Ismagilov, R.; Obraztsov, A.; Vella, A.

2018-04-01

The thermal properties of single-crystal diamond nanowires (NWs) have been calculated from first principles but have never been measured experimentally. Taking advantage of the sharp geometry of samples analyzed in a laser assisted atom probe, this technique is used to measure the thermal diffusivity of a single NW at low temperature (<300 K). The obtained value is in good agreement with the ab-initio calculations and confirms that thermal diffusivity in nanoscale samples is lower than in bulk samples. The results impact the design and integration of diamond NWs and nanoneedles in nanoscale devices for heat dissipation.

Diffusive Phenomena and the Austenite/Martensite Relative Stability in Cu-Based Shape-Memory Alloys

NASA Astrophysics Data System (ADS)

Pelegrina, J. L.; Yawny, A.; Sade, M.

2018-03-01

The main characteristic of martensitic phase transitions is the coordinate movement of the atoms which takes place athermally, without the contribution of diffusion during its occurrence. However, the impacts of diffusive phenomena on the relative stability between the phases involved and, consequently, on the associated transformation temperatures and functional properties can be significant. This is particularly evident in the case of Cu-based shape-memory alloys where atomic diffusion in both austenite and martensite metastable phases might occur even at room-temperature levels, giving rise to a variety of intensively studied phenomena. In the present study, the progresses made in the understanding of three selected diffusion-related effects of importance in Cu-Zn-Al and Cu-Al-Be alloys are reviewed. They are the after-quench retained disorder in the austenitic structure and its subsequent reordering, the stabilization of the martensite, and the effect of applied stress on the austenitic order. It is shown how the experimental results obtained from tests performed on single crystal material can be rationalized under the shed of a model developed to evaluate the variation of the relative stability between the phases in terms of atom pairs interchanges.

Diffusive Phenomena and the Austenite/Martensite Relative Stability in Cu-Based Shape-Memory Alloys

NASA Astrophysics Data System (ADS)

Pelegrina, J. L.; Yawny, A.; Sade, M.

2018-02-01

The main characteristic of martensitic phase transitions is the coordinate movement of the atoms which takes place athermally, without the contribution of diffusion during its occurrence. However, the impacts of diffusive phenomena on the relative stability between the phases involved and, consequently, on the associated transformation temperatures and functional properties can be significant. This is particularly evident in the case of Cu-based shape-memory alloys where atomic diffusion in both austenite and martensite metastable phases might occur even at room-temperature levels, giving rise to a variety of intensively studied phenomena. In the present study, the progresses made in the understanding of three selected diffusion-related effects of importance in Cu-Zn-Al and Cu-Al-Be alloys are reviewed. They are the after-quench retained disorder in the austenitic structure and its subsequent reordering, the stabilization of the martensite, and the effect of applied stress on the austenitic order. It is shown how the experimental results obtained from tests performed on single crystal material can be rationalized under the shed of a model developed to evaluate the variation of the relative stability between the phases in terms of atom pairs interchanges.

CROSS-DISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY: Surface diffusion of Si, Ge and C adatoms on Si (001) substrate studied by the molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Chen, Zhi-Hui; Yu, Zhong-Yuan; Lu, Peng-Fei; Liu, Yu-Min

2009-10-01

Depositions of Si, Ge and C atoms onto a preliminary Si (001) substrate at different temperatures are investigated by using the molecular dynamics method. The mechanism of atomic self-assembling occurring locally on the flat terraces between steps is suggested. Diffusion and arrangement patterns of adatoms at different temperatures are observed. At 900 K, the deposited atoms are more likely to form dimers in the perpendicular [110] direction due to the more favourable movement along the perpendicular [110] direction. C adatoms are more likely to break or reconstruct the dimers on the substrate surface and have larger diffusion distances than Ge and Si adatoms. Exchange between C adatoms and substrate atoms are obvious and the epitaxial thickness is small. Total potential energies of adatoms and substrate atoms involved in the simulation cell are computed. When a newly arrived adatom reaches the stable position, the potential energy of the system will decrease and the curves turns into a ladder-like shape. It is found that C adatoms can lead to more reduction of the system energy and the potential energy of the system will increase as temperature increases.

Modeling thermospheric neutral density

NASA Astrophysics Data System (ADS)

Qian, Liying

Satellite drag prediction requires determination of thermospheric neutral density. The NCAR Thermosphere-Ionosphere-Electrodynamics General Circulation Model (TIEGCM) and the global-mean Thermosphere-Ionosphere-Mesosphere-Electrodynamics General Circulation Model (TIMEGCM) were used to quantify thermospheric neutral density and its variations, focusing on annual/semiannual variation, the effect of using measured solar irradiance on model calculations of solar-cycle variation, and global change in the thermosphere. Satellite drag data and the MSIS00 empirical model were utilized to compare to the TIEGCM simulations. The TIEGCM simulations indicated that eddy diffusion and its annual/semiannual variation is a mechanism for annual/semiannual density variation in the thermosphere. It was found that eddy diffusion near the turbopause can effectively influence thermospheric neutral density. Eddy diffusion, together with annual insolation variation and large-scale circulation, generated global annual/semiannual density variation observed by satellite drag. Using measured solar irradiance as solar input for the TIEGCM improved the solar-cycle dependency of the density calculation shown in F10.7 -based thermospheric empirical models. It has been found that the empirical models overestimate density at low solar activity. The TIEGCM simulations did not show such solar-cycle dependency. Using historic measurements of CO2 and F 10.7, simulations of the global-mean TIMEGCM showed that thermospheric neutral density at 400 km had an average long-term decrease of 1.7% per decade from 1970 to 2000. A forecast of density decrease for solar cycle 24 suggested that thermospheric density will decrease at 400 km from present to the end of solar cycle 24 at a rate of 2.7% per decade. Reduction in thermospheric density causes less atmospheric drag on earth-orbiting space objects. The implication of this long-term decrease of thermospheric neutral density is that it will increase the lifetime of satellites, but also it will increase the amount of space junk.

Interchannel Coupling in the Photoionization of Atoms and Ions in the X-Ray Range

NASA Technical Reports Server (NTRS)

Manson, Steven T.; Chakraborty, Himadri S.; Deshmukh, Pranawa C.

2002-01-01

To understand how this interchannel coupling, so important in neutral atoms, applies to positive ions, a research program has been initiated to deal with this question, i.e., a program to quantify the effects of interchannel coupling in ionic photoionization, thereby assessing existing photoionization data bases in the x-ray region. To accomplish this task, we have employed the Relativistic Random-Phase-Approximation (RRPA) methodology which includes significant aspects of electron-electron correlation, including interchannel coupling. The RRPA methodology has been found to produce excellent agreement with experiment for neutral Ne at photon energies in the 1 keV range.

Improved Background Removal in Sounding Rocket Neutral Atom Imaging Data

NASA Astrophysics Data System (ADS)

Smith, M. R.; Rowland, D. E.

2017-12-01

The VISIONS sounding rocket, launched into a substorm on Feb 7, 2013 from Poker Flat, Alaska had a novel miniaturized energetic neutral atom (ENA) imager onboard. We present further analysis of the ENA data from this rocket flight, including improved removal of ultraviolet and electron contamination. In particular, the relative error source contributions due to geocoronal, auroral, and airglow UV, as well as energetic electrons from 10 eV to 3 keV were assessed. The resulting data provide a more clear understanding of the spatial and temporal variations of the ion populations that are energized to tens or hundreds of eV.

Massive Gas Cloud Around Jupiter

NASA Technical Reports Server (NTRS)

2003-01-01

An innovative instrument on NASA's Cassini spacecraft makes the space environment around Jupiter visible, revealing a donut-shaped gas cloud encircling the planet.

The image was taken with the energetic neutral atom imaging technique by the Magnetospheric Imaging Instrument on Cassini as the spacecraft flew past Jupiter in early 2001 at a distance of about 10 million kilometers (6 million miles). This technique provides information about a source by detecting neutral atoms emitted by the source, comparable to how a camera reveals information about an object by detecting photons coming from the object.

The central object in this image represents energetic neutral atom emissions from Jupiter itself. The outer two objects represent emissions from a donut-shaped cloud, or torus, that shares an orbit with Jupiter's moon Europa. The cloud's emissions appear dot-like because of the viewing angle. The torus is viewed edge-on, and the image is brightest at the line-of-sight angles that pass through the greatest volume of it.

Cassini is a cooperative project of NASA, the European Space Agency and the Italian Space Agency. The Jet Propulsion Laboratory, a division of the California Institute of Technology in Pasadena, Calif., manages Cassini for NASA's Office of Space Science, Washington, D.C.

Observation and Interpretation of Energetic Neutral Hydrogen Atoms from the December 5, 2006 Solar Flare

NASA Technical Reports Server (NTRS)

Barghouty, A. F.; Mewaldt, R. A.; Leske, R. A.; Shih, A. Y.; Stone, E. C.; Cohen, C. M. S.; Cummings, A. C.; Labrador, A. W.; vonRosenvinge, T. T.; Wiedenbeck, M. E.

2009-01-01

We discuss observations of energetic neutral hydrogen atoms (ENAs) from a solar flare/coronal mass ejection event reported by Mewaldt et al. (2009). The observations were made during the 5 December 2006 X9 solar flare, located at E79, by the Low Energy Telescopes (LETs) on STEREO A and B. Prior to the arrival of the main solar energetic particle (SEP) event at Earth, both LETs observed a sudden burst of 1.6 to 15 MeV particles arriving from the Sun. The derived solar emission profile, arrival directions, and energy spectrum all show that the <5 MeV particles were due to energetic neutral hydrogen atoms produced by either flare or shock-accelerated protons. RHESSI measurements of the 2.2-MeV gamma-ray line provide an estimate of the number of interacting flare-accelerated protons in this event, which leads to an improved estimate of ENA production by flare-accelerated protons. CME-driven shock acceleration is also considered. Taking into account ENA losses, we conclude that the observed ENAs must have been produced in the high corona at heliocentric distances .2 solar radii.

The Response of the Ionospheric Cusp to the Solar Through Two Perspectives: Low Energy Changed Particle In-Situ Measurements and Low- Energy Neutral Atom Imaging

NASA Technical Reports Server (NTRS)

Coffey, V. N.; Moore, T. E.; Chandler, M. O.; Craven, P. D.

2000-01-01

The IMAGE mission provides a new perspective on the study of the response of the magnetosphere/ionosphere system to changing solar wind conditions, particularly the variability of ion outflow. Learning to interpret this new type of data becomes an essential step in the process of melding these results with the wealth of in-situ charged particle observations obtained over the past 25 years. In order to understand how the in-situ data correspond to and contrast with IMAGE results we will perform a conjunctive study of event data from two instruments to shed light on the coupling of the solar wind and ionosphere from these different perspectives. We will use the Low Energy Neutral Atom instrument (LENA) which images energetic neutral atom emissions from upward flowing ionospheric ions and the Thermal Ion Dynamics Instrument (TIDE) on the Polar satellite which measures in-situ ion outflow from 0.3-300 eV. Our primary goal will be to understand how comparing the imaging and in-situ perspectives can aid in the analysis of both data sets.

The Response of the Ionospheric Cusp to the Solar Wind Through Two Perspectives: Low Energy Charged Particle In-Situ Measurements and Low-Energy Neutral Atom Imaging

NASA Technical Reports Server (NTRS)

Coffey, V. N.; Moore, T. E.; Chandler, M. O.; Giles, B. L.; Craven, P. D.; Rose, M. Franklin (Technical Monitor)

2000-01-01

The Imager for Magnetopause-to-Aurora Global Exploration (IMAGE) mission provides a new perspective on the study of the response of the magnetosphere/ionosphere system to changing solar wind conditions, particularly the variability of ion outflow. Learning to interpret this new type of data becomes an essential step in the process of melding these results with the wealth of in-situ charged particle observations obtained over the past 25 years. In order to understand how the in-situ data correspond to and contrast with IMAGE results we will perform a conjunctive study of event data from two instruments to shed light on the coupling of the solar wind and ionosphere from these different perspectives. We will use the Low Energy Neutral Atom instrument (LENA) which images energetic neutral atom emissions from upward flowing ionospheric ions and the Thermal Ion Dynamics Instrument (TIDE) on the Polar satellite which measures in-situ ion outflow from 0.3-300 eV. Our primary goal will be to understand how comparing the imaging and in-situ perspectives can aid in the analysis of both data sets.

Characterization of an Atomic Hydrogen Source for Charge Exchange Experiments

NASA Technical Reports Server (NTRS)

Leutenegger, M. A.; Beierdorfer, P.; Betancourt-Martinez, G. L.; Brown, G. V.; Hell, N; Kelley, R. L.; Kilbourne, C. A.; Magee, E. W.; Porter, F. S.

2016-01-01

We characterized the dissociation fraction of a thermal dissociation atomic hydrogen source byinjecting the mixed atomic and molecular output of the source into an electron beam ion trapcontaining highly charged ions and recording the x-ray spectrum generated by charge exchangeusing a high-resolution x-ray calorimeter spectrometer. We exploit the fact that the charge exchangestate-selective capture cross sections are very different for atomic and molecular hydrogen incidenton the same ions, enabling a clear spectroscopic diagnostic of the neutral species.

Vacancies and Vacancy-Mediated Self Diffusion in Cr 2 O 3 : A First-Principles Study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Medasani, Bharat; Sushko, Maria L.; Rosso, Kevin M.

Charged and neutral vacancies and vacancy mediated self diffusion in alpha-Cr2O3 were investigated using first principles density functional theory (DFT) and periodic supercell formalism. The vacancy formation energies of charged defects were calculated using the electrostatic finite-size corrections to account for electrostatic interactions between supercells and the corrections for the bandgap underestimation in DFT. Calculations predict that neutral oxygen (O) vacancies are predominant in chromium (Cr)-rich conditions and Cr vacancies with -2 charge state are the dominant defects in O-rich conditions. The charge transition levels of both O and Cr vacancies are deep within the bandgap indicating the stability ofmore » these defects. Transport calculations indicate that vacancy mediated diffusion along the basal plane has lower energy barriers for both O and Cr ions. The most favorable vacancy mediated self diffusion processes correspond to the diffusion of Cr ion in 3+ charge state and O ion in 2- state, respectively. Our calculations reveal that Cr triple defects comprised of Cr in octahedral interstitial sites with two adjacent Cr vacancies along the c-axis have a lower formation energy compared to that of charged Cr vacancies. The formation of such triple defects facilitate Cr self diffusion along the c-axis.« less

Single Crystal Diffuse Neutron Scattering

DOE PAGES

Welberry, Richard; Whitfield, Ross

2018-01-11

Diffuse neutron scattering has become a valuable tool for investigating local structure in materials ranging from organic molecular crystals containing only light atoms to piezo-ceramics that frequently contain heavy elements. Although neutron sources will never be able to compete with X-rays in terms of the available flux the special properties of neutrons, viz. the ability to explore inelastic scattering events, the fact that scattering lengths do not vary systematically with atomic number and their ability to scatter from magnetic moments, provides strong motivation for developing neutron diffuse scattering methods. Here, we compare three different instruments that have been used bymore » us to collect neutron diffuse scattering data. Two of these are on a spallation source and one on a reactor source.« less

Water-Mediated Proton Hopping on an Iron Oxide Surface

DOE Office of Scientific and Technical Information (OSTI.GOV)

Merte, L. R.; Peng, Guowen; Bechstein, Ralf

2012-05-18

The diffusion of hydrogen atoms across solid oxide surfaces is often assumed to be accelerated by the presence of water molecules. Here we present a high-resolution, high-speed scanning tunneling microscopy (STM) study of the diffusion of H atoms on an FeO thin film. STM movies directly reveal a water-mediated hydrogen diffusion mechanism on the oxide surface at temperatures between 100 and 300 kelvin. Density functional theory calculations and isotope-exchange experiments confirm the STM observations, and a proton-transfer mechanism that proceeds via an H3O+-like transition state is revealed. This mechanism differs from that observed previously for rutile TiO2(110), where water dissociationmore » is a key step in proton diffusion.« less

Single Crystal Diffuse Neutron Scattering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Welberry, Richard; Whitfield, Ross

Diffuse neutron scattering has become a valuable tool for investigating local structure in materials ranging from organic molecular crystals containing only light atoms to piezo-ceramics that frequently contain heavy elements. Although neutron sources will never be able to compete with X-rays in terms of the available flux the special properties of neutrons, viz. the ability to explore inelastic scattering events, the fact that scattering lengths do not vary systematically with atomic number and their ability to scatter from magnetic moments, provides strong motivation for developing neutron diffuse scattering methods. Here, we compare three different instruments that have been used bymore » us to collect neutron diffuse scattering data. Two of these are on a spallation source and one on a reactor source.« less

Low energy high angular resolution neutral atom detection by means of micro-shuttering techniques: the BepiColombo SERENA/ELENA unit development

NASA Astrophysics Data System (ADS)

Orsini, S.; di Lellis, A. M.; Milillo, A.; Selci, S.; Leoni, R.; Dandouras, I.

2009-04-01

ELENA (Emitted Low-Energy Neutral Atoms) is a Time-of-Flight (ToF) system, based on oscillating shutter (operated at frequencies up to a 100 kHz) and mechanical gratings devoted to sputtering emission from planetary surfaces, from E ~20 eV up to E ~5 keV. This new kind of low energetic neutral atoms instrument is one of the four units of the SERENA experiment for the ESA cornerstone BepiColombo mission to Mercury. The low energetic neutral particles that are likely to be detected by ELENA come primarily from ion-sputtering process, and secondarily from back-scattering and from charge exchange. ELENA will resolve intensity, velocity and direction of the incoming particle flux: the entrance of the start section (an aperture of about 1 cm2consisting of two self-standing silicon nitride (Si3N4) membranes, patterned with arrays of long and narrow openings) allows the impinging neutral particles to enter through the shuttering system with a definite timing. Particles are then flown in a ToF chamber, and finally detected by a 1-dimensional array composed by MCPs and a discrete anodes set corresponding to a Field of View (FOV) of 4.5"x76", allowing the reconstruction of both velocity and direction of the incoming events. This poster will present the new results of the ELENA development in the frame of the scientific items, instrument simulation, laboratory activity and testing. In particular, the ELENA input section and shuttering system will be reported (new deflector system, shuttering functionality test, membranes VUV optical proprieties and particle beam interactions).

An improved model of fission gas atom transport in irradiated uranium dioxide

NASA Astrophysics Data System (ADS)

Shea, J. H.

2018-04-01

The hitherto standard approach to predicting fission gas release has been a pure diffusion gas atom transport model based upon Fick's law. An additional mechanism has subsequently been identified from experimental data at high burnup and has been summarised in an empirical model that is considered to embody a so-called fuel matrix 'saturation' phenomenon whereby the fuel matrix has become saturated with fission gas so that the continued addition of extra fission gas atoms results in their expulsion from the fuel matrix into the fuel rod plenum. The present paper proposes a different approach by constructing an enhanced fission gas transport law consisting of two components: 1) Fick's law and 2) a so-called drift term. The new transport law can be shown to be effectively identical in its predictions to the 'saturation' approach and is more readily physically justifiable. The method introduces a generalisation of the standard diffusion equation which is dubbed the Drift Diffusion Equation. According to the magnitude of a dimensionless Péclet number, P, the new equation can vary from pure diffusion to pure drift, which latter represents a collective motion of the fission gas atoms through the fuel matrix at a translational velocity. Comparison is made between the saturation and enhanced transport approaches. Because of its dependence on P, the Drift Diffusion Equation is shown to be more effective at managing the transition from one type of limiting transport phenomenon to the other. Thus it can adapt appropriately according to the reactor operation.

N vacancy, self-interstitial diffusion, and Frenkel-pair formation/dissociation in TiN studied by ab-initio and classical molecular dynamics

NASA Astrophysics Data System (ADS)

Sangiovanni, Davide G.; Alling, Björn; Hultman, Lars; Abrikosov, Igor A.

2015-03-01

We use ab-initio and classical molecular dynamics (AIMD, CMD) to simulate diffusion of N vacancy and N self-interstitial point-defects in B1 TiN. The physical properties of TiN, important material system for thin film and coatings applications, are largely dictated by concentration and mobility of point defects. We determine N dilute-point-defect diffusion pathways, activation energies, attempt frequencies, and diffusion coefficients as a function of temperature. In addition, MD simulations reveal an unanticipated atomistic process, which controls the spontaneous formation of N-self-interstitial/N-vacancy pairs (Frenkel pairs) in defect-free TiN. This entails that a N lattice atom leaves its bulk position and bonds to a neighboring N lattice atom. In most cases, Frenkel-pair NI and NV recombine within a fraction of ns; 50% of these processes result in the exchange of two nitrogen lattice atoms. Occasionally, however, Frenkel-pair N-interstitial atoms permanently escape from the anion vacancy site, thus producing unpaired NI and NV point defects. The Knut and Alice Wallenberg foundation (Isotope Project, 2011.0094), the Swedish Research Council (VR) Linköping Linnaeus Initiative LiLi-NFM (Grant 2008-6572), and the Swedish Government Strategic Research (Grant MatLiU 2009-00971).

Simple and efficient LCAO basis sets for the diffuse states in carbon nanostructures.

PubMed

Papior, Nick R; Calogero, Gaetano; Brandbyge, Mads

2018-06-27

We present a simple way to describe the lowest unoccupied diffuse states in carbon nanostructures in density functional theory calculations using a minimal LCAO (linear combination of atomic orbitals) basis set. By comparing plane wave basis calculations, we show how these states can be captured by adding long-range orbitals to the standard LCAO basis sets for the extreme cases of planar sp 2 (graphene) and curved carbon (C 60 ). In particular, using Bessel functions with a long range as additional basis functions retain a minimal basis size. This provides a smaller and simpler atom-centered basis set compared to the standard pseudo-atomic orbitals (PAOs) with multiple polarization orbitals or by adding non-atom-centered states to the basis.

Simple and efficient LCAO basis sets for the diffuse states in carbon nanostructures

NASA Astrophysics Data System (ADS)

Papior, Nick R.; Calogero, Gaetano; Brandbyge, Mads

2018-06-01

We present a simple way to describe the lowest unoccupied diffuse states in carbon nanostructures in density functional theory calculations using a minimal LCAO (linear combination of atomic orbitals) basis set. By comparing plane wave basis calculations, we show how these states can be captured by adding long-range orbitals to the standard LCAO basis sets for the extreme cases of planar sp 2 (graphene) and curved carbon (C60). In particular, using Bessel functions with a long range as additional basis functions retain a minimal basis size. This provides a smaller and simpler atom-centered basis set compared to the standard pseudo-atomic orbitals (PAOs) with multiple polarization orbitals or by adding non-atom-centered states to the basis.

Competitive diffusion in online social networks with heterogeneous users

NASA Astrophysics Data System (ADS)

Li, Pei; He, Su; Wang, Hui; Zhang, Xin

2014-06-01

Online social networks have attracted increasing attention since they provide various approaches for hundreds of millions of people to stay connected with their friends. However, most research on diffusion dynamics in epidemiology cannot be applied directly to characterize online social networks, where users are heterogeneous and may act differently according to their standpoints. In this paper, we propose models to characterize the competitive diffusion in online social networks with heterogeneous users. We classify messages into two types (i.e., positive and negative) and users into three types (i.e., positive, negative and neutral). We estimate the positive (negative) influence for a user generating a given type message, which is the number of times that positive (negative) messages are processed (i.e., read) incurred by this action. We then consider the diffusion threshold, above which the corresponding influence will approach infinity, and the effect threshold, above which the unexpected influence of generating a message will exceed the expected one. We verify all these results by simulations, which show the analysis results are perfectly consistent with the simulation results. These results are of importance in understanding the diffusion dynamics in online social networks, and also critical for advertisers in viral marketing where there are fans, haters and neutrals.

New insights on the collisional escape of light neutrals from Mars

NASA Astrophysics Data System (ADS)

Gacesa, Marko; Zahnle, Kevin

2017-04-01

Photodissociative recombination (PDR) of atmospheric molecules on Mars is a major mechanism of production of hot (suprathermal) atoms with sufficient kinetic energy to either directly escape to space or to eject other atmospheric species. This collisional ejection mechanism is important for evaluating the escape rates of all light neutrals that are too heavy to escape via Jeans escape. In particular, it plays a role in estimating the total volume of escaped water constituents (i.e., O and H) from Mars, as well as influences evolution of the atmospheric [D]/[H] ratio1. We present revised estimates of total collisional escape rates of neutral light elements including H, He, and H2, based on recent (years 2015-2016) atmospheric density profiles obtained from the NASA Mars Atmosphere and Volatile Evolution (MAVEN) mission. We also estimate the contribution to the collisional escape from Energetic Neutral Atoms (ENAs) produced in charge-exchange of solar wind H+ and He+ ions with atmospheric gases2,3. Scattering of hot oxygen and atmospheric species of interest is modeled using fully-quantum reactive scattering formalism1,3. The escape rates are evaluated using a 1D model of the atmosphere supplemented with MAVEN measurements of the neutrals. Finally, new estimates of contributions of these non-thermal mechanisms to the estimated PDR escape rates from young Mars4 are presented. [1] M. Gacesa and V. Kharchenko, "Non-thermal escape of molecular hydrogen from Mars", Geophys. Res. Lett., 39, L10203 (2012). [2] N. Lewkow and V. Kharchenko, "Precipitation of Energetic Neutral Atoms and Escape Fluxes induced from the Mars Atmosphere", Astroph. J., 790, 98 (2014). [3] M. Gacesa, N. Lewkow, and V. Kharchenko, "Non-thermal production and escape of OH from the upper atmosphere of Mars", Icarus 284, 90 (2017). [4] J. Zhao, F. Tian, Y. Ni, and X. Huang, "DR-induced escape of O and C from early Mars", Icarus 284, 305 (2017).

Experiments With Trapped Neutral Atoms

DTIC Science & Technology

2010-01-05

number of condensate atoms in the trap [11]. (a) i solitons (b) £ 10 \\QT>J — \\^y Darks -WW . ’ VrV Ground state A(|>=0 <* -^ Mr...interacting condensates leading to soliton formation for a relative phase of Pi. (b) The relative phase of two split condensates was monitored for various

Photoelectron spectroscopy of heavy atoms and molecules

DOE Office of Scientific and Technical Information (OSTI.GOV)

White, M.G.

1979-07-01

The importance of relativistic interactions in the photoionization of heavy atoms and molecules has been investigated by the technique of photoelectron spectroscopy. In particular, experiments are reported which illustrate the effects of the spin-orbit interaction in the neutral ground state, final ionic states and continuum states of the photoionization target.

Precision measurement of the nuclear polarization in laser-cooled, optically pumped 37 K

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fenker, B.; Behr, J. A.; Melconian, D.

We report a measurement of the nuclear polarization of laser-cooled, optically pumped 37K atoms which will allow us to precisely measure angular correlation parameters in themore » $${\\beta }^{+}$$-decay of the same atoms. These results will be used to test the V ₋ A framework of the weak interaction at high precision. At the Triumf neutral atom trap (Trinat), a magneto-optical trap confines and cools neutral 37K atoms and optical pumping spin-polarizes them. We monitor the nuclear polarization of the same atoms that are decaying in situ by photoionizing a small fraction of the partially polarized atoms and then use the standard optical Bloch equations to model their population distribution. We obtain an average nuclear polarization of $$\\bar{P}=0.9913\\pm 0.0009$$, which is significantly more precise than previous measurements with this technique. Since our current measurement of the β-asymmetry has $$0.2 \\% $$ statistical uncertainty, the polarization measurement reported here will not limit its overall uncertainty. This result also demonstrates the capability to measure the polarization to $$\\lt 0.1 \\% $$, allowing for a measurement of angular correlation parameters to this level of precision, which would be competitive in searches for new physics.« less

Precision measurement of the nuclear polarization in laser-cooled, optically pumped 37 K

DOE PAGES

Fenker, B.; Behr, J. A.; Melconian, D.; ...

2016-07-13

We report a measurement of the nuclear polarization of laser-cooled, optically pumped 37K atoms which will allow us to precisely measure angular correlation parameters in themore » $${\\beta }^{+}$$-decay of the same atoms. These results will be used to test the V ₋ A framework of the weak interaction at high precision. At the Triumf neutral atom trap (Trinat), a magneto-optical trap confines and cools neutral 37K atoms and optical pumping spin-polarizes them. We monitor the nuclear polarization of the same atoms that are decaying in situ by photoionizing a small fraction of the partially polarized atoms and then use the standard optical Bloch equations to model their population distribution. We obtain an average nuclear polarization of $$\\bar{P}=0.9913\\pm 0.0009$$, which is significantly more precise than previous measurements with this technique. Since our current measurement of the β-asymmetry has $$0.2 \\% $$ statistical uncertainty, the polarization measurement reported here will not limit its overall uncertainty. This result also demonstrates the capability to measure the polarization to $$\\lt 0.1 \\% $$, allowing for a measurement of angular correlation parameters to this level of precision, which would be competitive in searches for new physics.« less

PAINeT: An object-oriented software package for simulations of flow-field, transport coefficients and flux terms in non-equilibrium gas mixture flows

NASA Astrophysics Data System (ADS)

Istomin, V. A.

2018-05-01

The software package Planet Atmosphere Investigator of Non-equilibrium Thermodynamics (PAINeT) has been devel-oped for studying the non-equilibrium effects associated with electronic excitation, chemical reactions and ionization. These studies are necessary for modeling process in shock tubes, in high enthalpy flows, in nozzles or jet engines, in combustion and explosion processes, in modern plasma-chemical and laser technologies. The advantages and possibilities of the package implementation are stated. Within the framework of the package implementation, based on kinetic theory approximations (one-temperature and state-to-state approaches), calculations are carried out, and the limits of applicability of a simplified description of shock-heated air flows and any other mixtures chosen by the user are given. Using kinetic theory algorithms, a numerical calculation of the heat fluxes and relaxation terms can be performed, which is necessary for further comparison of engineering simulation with experi-mental data. The influence of state-to-state distributions over electronic energy levels on the coefficients of thermal conductivity, diffusion, heat fluxes and diffusion velocities of the components of various gas mixtures behind shock waves is studied. Using the software package the accuracy of different approximations of the kinetic theory of gases is estimated. As an example state-resolved atomic ionized mixture of N/N+/O/O+/e- is considered. It is shown that state-resolved diffusion coefficients of neutral and ionized species vary from level to level. Comparing results of engineering applications with those given by PAINeT, recommendations for adequate models selection are proposed.

Theoretical modeling of the plasma-assisted catalytic growth and field emission properties of graphene sheet

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sharma, Suresh C.; Gupta, Neha

2015-12-15

A theoretical modeling for the catalyst-assisted growth of graphene sheet in the presence of plasma has been investigated. It is observed that the plasma parameters can strongly affect the growth and field emission properties of graphene sheet. The model developed accounts for the charging rate of the graphene sheet; number density of electrons, ions, and neutral atoms; various elementary processes on the surface of the catalyst nanoparticle; surface diffusion and accretion of ions; and formation of carbon-clusters and large graphene islands. In our investigation, it is found that the thickness of the graphene sheet decreases with the plasma parameters, numbermore » density of hydrogen ions and RF power, and consequently, the field emission of electrons from the graphene sheet surface increases. The time evolution of the height of graphene sheet with ion density and sticking coefficient of carbon species has also been examined. Some of our theoretical results are in compliance with the experimental observations.« less

Planetary wave-like oscillations in the ionosphere retrieved with a longitudinal chain of ionosondes at high northern latitudes

NASA Astrophysics Data System (ADS)

Stray, Nora H.; Espy, Patrick J.

2018-06-01

This paper examines the influence of neutral dynamics on the high latitude ionosphere. Using a longitudinal chain of ionosondes at high northern latitudes (52°-65° N), planetary wave-like structures were observed in the spatial structure of the peak electron density in the ionosphere. Longitudinal wavenumbers S0, S1 and S2 have been extracted from these variations of the F layer. The observed wave activity in wavenumber one and two does not show any significant correlation with indices of magnetic activity, suggesting that this is not the primary driver. In addition, the motion of the S1 ionospheric wave structures parallels that of the S1 planetary waves observed in the winds of the mesosphere-lower-thermosphere derived from a longitudinal array of SuperDARN meteor-radar wind measurements. The time delay between the motions of the wave structures would indicate a indirect coupling, commensurate with the diffusion to the ionosphere of mesospheric atomic oxygen perturbations.

The Evolution of Interstellar Gas: Massive Stars and the Dispersal of Neutral Material

NASA Technical Reports Server (NTRS)

Federman, Steven R.

2003-01-01

We studied the effects of newly formed O and B stars on their surrounding interstellar material through a combination of observations and theoretical modeling. The observational data came from measurements of absorption seen in the spectra of background, newly formed stars. Particular attention was given to stellar radiation which converts molecular to atomic material. Laboratory data on absorption cross sections relevant to the analysis and interpretation of carbon monoxide formed part of the effort. The grant supported Postdoctoral Fellows, Drs. Min Yan and Yaron Sheffer, and a laboratory technician. Though the students themselves were not supported. one M.S. Thesis and two Ph.D. dissertations from the University of Toledo were based on the research done under the grant. The research accomplished under this grant led directly to other funded programs. An observing proposal to study the chemistry of diffuse molecular clouds in the Large and Small Magellanic Clouds with ESO s Very Large Telescope was another example of a successful outcome of my LTSA program.

Theory of terahertz emission from femtosecond-laser-induced microplasmas

NASA Astrophysics Data System (ADS)

Thiele, I.; Nuter, R.; Bousquet, B.; Tikhonchuk, V.; Skupin, S.; Davoine, X.; Gremillet, L.; Bergé, L.

2016-12-01

We present a theoretical investigation of terahertz (THz) generation in laser-induced gas plasmas. The work is strongly motivated by recent experimental results on microplasmas, but our general findings are not limited to such a configuration. The electrons and ions are created by tunnel ionization of neutral atoms, and the resulting plasma is heated by collisions. Electrons are driven by electromagnetic, convective, and diffusive sources and produce a macroscopic current which is responsible for THz emission. The model naturally includes both ionization current and transition-Cherenkov mechanisms for THz emission, which are usually investigated separately in the literature. The latter mechanism is shown to dominate for single-color multicycle laser pulses, where the observed THz radiation originates from longitudinal electron currents. However, we find that the often discussed oscillations at the plasma frequency do not contribute to the THz emission spectrum. In order to predict the scaling of the conversion efficiency with pulse energy and focusing conditions, we propose a simplified description that is in excellent agreement with rigorous particle-in-cell simulations.

Atomic and molecular far-infrared lines from high redshift galaxies

NASA Astrophysics Data System (ADS)

Vallini, L.

2015-03-01

The advent of Atacama Large Millimeter-submillimeter Array (ALMA), with its unprecedented sensitivity, makes it possible the detection of far-infrared (FIR) metal cooling and molecular lines from the first galaxies that formed after the Big Bang. These lines represent a powerful tool to shed light on the physical properties of the interstellar medium (ISM) in high-redshift sources. In what follows we show the potential of a physically motivated theoretical approach that we developed to predict the ISM properties of high redshift galaxies. The model allows to infer, as a function of the metallicity, the luminosities of various FIR lines observable with ALMA. It is based on high resolution cosmological simulations of star-forming galaxies at the end of the Epoch of Reionization (z˜eq6) , further implemented with sub-grid physics describing the cooling and the heating processes that take place in the neutral diffuse ISM. Finally we show how a different approach based on semi-analytical calculations can allow to predict the CO flux function at z>6.

Mapping Diffuse HI Content in MHONGOOSE Galaxies NGC 1744 and NGC 7424

NASA Astrophysics Data System (ADS)

Sardone, Amy; Pisano, Daniel J.; Pingel, Nickolas

2017-01-01

The universe contains an abundance of neutral atomic hydrogen, or HI. This HI holds the key to knowing how stars are born, how galaxies form and develop, and how dark matter halos accrete gas from the cosmic web. One of the most crucial questions regarding galaxy formation today is how galaxies accrete their gas and how accretion processes affect subsequent star formation. We are trying to answer these questions by mapping the HI content in a four square degree region around galaxies NGC 1744 and NGC 7424, galaxies to be observed as part of the MHONGOOSE survey. NGC 1744 has already been observed extensively with the VLA, so we will be able to quantify the differences in emission. To do this our GBT maps must be sensitive to column densities on the order of ~1018 cm-2. With such low column densities, we will be able to search for features of the cosmic web in the form of tidal interactions and cosmic web filaments with its relation to star-forming galaxies.

Relative emission-line strengths for the 146 and 63 micron transitions in O I and a comparison with far-infrared observations of photodissociation regions

NASA Astrophysics Data System (ADS)

Keenan, F. P.; Conlon, E. S.; Rubin, R. H.

1994-10-01

Theoretical O I density-sensitive emission-line ratios R = I(2s2)(2p4)(3P0)-((2s2)(2p4)(3P1))/I((2s2)(2p4)(3P1)-(2s2)(2p4)(3P2)) = I(146 micrometers)/I(63 micrometers) are presented for a range of temperatures (T = 100-10,000 K), neutral hydrogen densities (NH = 10-2 to 107/cu cm) and radiation fields (G0 = 1-106) applicable to both photodissociation regions (PDRs) and H II regions and the diffuse ionized medium (DIM). The observed values of R for several PDRs, measured from far-infrared spectra obtained with the Kuiper Airborne Observatory (KAO), imply hydrogen densities which are in good agreement with those determined using other methods. This provides observational support for the validity of the theoretical O I line ratios, and hence the atomic data used in their derivation.

Diffusion on Cu surfaces

NASA Technical Reports Server (NTRS)

Karimi, Majid

1993-01-01

Understanding surface diffusion is essential in understanding surface phenomena, such as crystal growth, thin film growth, corrosion, physisorption, and chemisorption. Because of its importance, various experimental and theoretical efforts have been directed to understand this phenomena. The Field Ion Microscope (FIM) has been the major experimental tool for studying surface diffusion. FIM have been employed by various research groups to study surface diffusion of adatoms. Because of limitations of the FIM, such studies are only limited to a few surfaces: nickel, platinum, aluminum, iridium, tungsten, and rhodium. From the theoretical standpoint, various atomistic simulations are performed to study surface diffusion. In most of these calculations the Embedded Atom Method (EAM) along with the molecular static (MS) simulation are utilized. The EAM is a semi-empirical approach for modeling the interatomic interactions. The MS simulation is a technique for minimizing the total energy of a system of particles with respect to the positions of its particles. One of the objectives of this work is to develop the EAM functions for Cu and use them in conjunction with the molecular static (MS) simulation to study diffusion of a Cu atom on a perfect as well as stepped Cu(100) surfaces. This will provide a test of the validity of the EAM functions on Cu(100) surface and near the stepped environments. In particular, we construct a terrace-ledge-kink (TLK) model and calculate the migration energies of an atom on a terrace, near a ledge site, near a kink site, and going over a descending step. We have also calculated formation energies of an atom on the bare surface, a vacancy in the surface, a stepped surface, and a stepped-kink surface. Our results are compared with the available experimental and theoretical results.

The Materials Chemistry of Atomic Oxygen with Applications to Anisotropic Etching of Submicron Structures in Microelectronics and the Surface Chemistry Engineering of Porous Solids

NASA Technical Reports Server (NTRS)

Koontz, Steve L.; Leger, Lubert J.; Wu, Corina; Cross, Jon B.; Jurgensen, Charles W.

1994-01-01

Neutral atomic oxygen is the most abundant component of the ionospheric plasma in the low Earth orbit environment (LEO; 200 to 700 kilometers altitude) and can produce significant degradation of some spacecraft materials. In order to produce a more complete understanding of the materials chemistry of atomic oxygen, the chemistry and physics of O-atom interactions with materials were determined in three radically different environments: (1) The Space Shuttle cargo bay in low Earth orbit (the EOIM-3 space flight experiment), (2) a high-velocity neutral atom beam system (HVAB) at Los Alamos National Laboratory (LANL), and (3) a microwave-plasma flowing-discharge system at JSC. The Space Shuttle and the high velocity atom beam systems produce atom-surface collision energies ranging from 0.1 to 7 eV (hyperthermal atoms) under high-vacuum conditions, while the flowing discharge system produces a 0.065 eV surface collision energy at a total pressure of 2 Torr. Data obtained in the three different O-atom environments referred to above show that the rate of O-atom reaction with polymeric materials is strongly dependent on atom kinetic energy, obeying a reactive scattering law which suggests that atom kinetic energy is directly available for overcoming activation barriers in the reaction. General relationships between polymer reactivity with O atoms and polymer composition and molecular structure have been determined. In addition, vacuum ultraviolet photochemical effects have been shown to dominate the reaction of O atoms with fluorocarbon polymers. Finally, studies of the materials chemistry of O atoms have produced results which may be of interest to technologists outside the aerospace industry. Atomic oxygen 'spin-off' or 'dual use' technologies in the areas of anisotropic etching in microelectronic materials and device processing, as well as surface chemistry engineering of porous solid materials are described.

An assessment for the erosion rate of DEMO first wall

NASA Astrophysics Data System (ADS)

Tokar, M. Z.

2018-01-01

In a fusion reactor a significant fraction of plasma particles lost from the confined volume will reach the vessel wall. The recombination of these charged species, electrons and ions of hydrogen isotopes, is a source of neutral molecules and atoms, recycling back into the plasma. Here they participate, in particular, in charge-exchange (c-x) collisions with the plasma ions and, as a result, atoms of high energies with chaotically oriented velocities are generated. A significant fraction of these hot neutrals will hit the wall, leading, as well as the outflowing fuel and impurity ions, to its erosion, limiting the reactor operation time. The rate of the wall erosion in DEMO is assessed by applying a one-dimensional model which takes into account the transport of charged and neutral species across the flux surfaces in the main part of the scrape-off layer, beyond the X-point vicinity and divertor, and by considering the shift of the centers of flux surfaces, their elongation and triangularity. Atoms generated by c-x of recycling neutrals are modeled kinetically to define firmly their energy spectrum, being of particular importance for the erosion assessment. It is demonstrated the erosion rate of the DEMO wall armor of tungsten will have a pronounced ballooning character with a significant maximum of 0.3 mm per full power year at the low field side, decreasing with an increase in the anomalous perpendicular transport in the ‘far’ SOL or the plasma density at the separatrix.

Long-term variations of the upper atmosphere parameters on Rome ionosonde observations and their interpretation

NASA Astrophysics Data System (ADS)

Perrone, Loredana; Mikhailov, Andrey; Cesaroni, Claudio; Alfonsi, Lucilla; Santis, Angelo De; Pezzopane, Michael; Scotto, Carlo

2017-09-01

A recently proposed self-consistent approach to the analysis of thermospheric and ionospheric long-term trends has been applied to Rome ionosonde summer noontime observations for the (1957-2015) period. This approach includes: (i) a method to extract ionospheric parameter long-term variations; (ii) a method to retrieve from observed foF1 neutral composition (O, O2, N2), exospheric temperature, Tex and the total solar EUV flux with λ < 1050 Å; and (iii) a combined analysis of the ionospheric and thermospheric parameter long-term variations using the theory of ionospheric F-layer formation. Atomic oxygen, [O] and [O]/[N2] ratio control foF1 and foF2 while neutral temperature, Tex controls hmF2 long-term variations. Noontime foF2 and foF1 long-term variations demonstrate a negative linear trend estimated over the (1962-2010) period which is mainly due to atomic oxygen decrease after ˜1990. A linear trend in (δhmF2)11y estimated over the (1962-2010) period is very small and insignificant reflecting the absence of any significant trend in neutral temperature. The retrieved neutral gas density, ρ atomic oxygen, [O] and exospheric temperature, Tex long-term variations are controlled by solar and geomagnetic activity, i.e. they have a natural origin. The residual trends estimated over the period of ˜5 solar cycles (1957-2015) are very small (<0.5% per decade) and statistically insignificant.

The BepiColombo SERENA/ELENA sensor. Approaching final delivery: sensor description and recent results

NASA Astrophysics Data System (ADS)

Orsini, S.; Selci, S.; Di Lellis, A. M.; Mura, A.; De Angelis, E.; Milillo, A.; Leoni, R.; Dandouras, I.; Scheer, J.; Wurz, P.

2012-04-01

The neutral sensor ELENA (Emitted Low-Energy Neutral Atoms) for the ESA cornerstone BepiColombo mission to Mercury (in the SERENA instrument package) is a new kind of low energetic neutral atoms instrument, mostly devoted to sputtering emission from planetary surfaces, from E ~20 eV up to E~5 keV, within 1-D (4.5°x76°). ELENA is a Time-of-Flight (TOF) system, based on oscillating shutter (operated at frequencies up to 50 kHz) and mechanical gratings: the incoming neutral particles directly impinge upon the entrance with a definite timing (START) and arrive to a STOP detector after a flight path. In this way the low-energy neutral particles are directly detected, without using elements of interaction. The new results of the development of the BepiColombo SERENA/ELENA instrument are presented in the frame of the scientific items (instrument simulations, laboratory testing, etc.). In particular, the actual status of the ELENA TOF sections (shuttering system and MCPs) are reported in the light of recent testing results. The sensor performances are investigated, as well as their capability to accomplish the scientific requirements (new deflector system, shuttering functionality test, MCP efficiency, piezo driver and proximity boards, etc.).

Preliminary studies for a beam-generated plasma neutralizer test in NIO1

NASA Astrophysics Data System (ADS)

Sartori, E.; Veltri, P.; Balbinot, L.; Cavenago, M.; Veranda, M.; Antoni, V.; Serianni, G.

2017-08-01

The deployment of neutral beam injectors in future fusion plants is beset by the particularly poor efficiency of the neutralization process. Beam-generated plasma neutralizers were proposed as a passive and intrinsically safe scheme of efficient plasma neutralizers. The concept is based on the natural ionization of the gas target by the beam, and on a suitable confinement of the secondary plasma. The technological challenge of such a concept is the magnetic confinement of the secondary plasma: a proof-of-principle for the concept is needed. The possibility to test of such a system in the small negative ion beam system NIO1 is discussed in this paper. The constraints given by the facility are first discussed. A model of beam-gas interaction is developed to provide the charge-state of beam particles along the neutralizer, and to provide the source terms of plasma generation. By using a cylindrical model of plasma diffusion in magnetic fields, the ionization degree of the target is estimated. In the absence of magnetic fields the diffusion model is validated against experimental measurements of the space-charge compensation plasma in the drift region of NIO1. Finally, the feasibility study for a beam-generated plasma neutralizer in NIO is presented. The neutralizer length, required gas target thickness, and a very simple magnetic setup were considered, taking into account the integration in NIO1. For the basic design a low ionization degree (1%) is obtained, however a promising plasma density up to hundred times the beam density was calculated. The proposed test in NIO1 can be the starting point for studying advanced schemes of magnetic confinement aiming at ionization degrees in the order of 10%.

Charge transfer in single and multiple scattering events at metal surfaces: a wavepacket study of the Na(+)/Cu(100) system.

PubMed

Sindona, A; Pisarra, M; Maletta, S; Riccardi, P; Falcone, G

2010-12-01

Resonant neutralization of hyperthermal energy Na(+) ions impinging on Cu(100) surfaces is studied, focusing on two specific collision events: one in which the projectile is reflected off the surface, the other in which the incident atom penetrates the outer surface layers initiating a series of scattering processes, within the target, and coming out together with a single surface atom. A semi-empirical model potential is adopted that embeds: (i) the electronic structure of the sample, (ii) the central field of the projectile, and (iii) the contribution of the Cu atom ejected in multiple scattering events. The evolution of the ionization orbital of the scattered atom is simulated, backwards in time, using a wavepacket propagation algorithm. The output of the approach is the neutralization probability, obtained by projecting the time-reversed valence wavefunction of the projectile onto the initially filled conduction band states. The results are in agreement with available data from the literature (Keller et al 1995 Phys. Rev. Lett. 75 1654) indicating that the motion of surface atoms, exiting the targets with kinetic energies of the order of a few electronvolts, plays a significant role in the final charge state of projectiles.