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Sample records for additional electron density

  1. Visualization of electronic density

    DOE PAGES

    Grosso, Bastien; Cooper, Valentino R.; Pine, Polina; ...

    2015-04-22

    An atom’s volume depends on its electronic density. Although this density can only be evaluated exactly for hydrogen-like atoms, there are many excellent numerical algorithms and packages to calculate it for other materials. 3D visualization of charge density is challenging, especially when several molecular/atomic levels are intertwined in space. We explore several approaches to 3D charge density visualization, including the extension of an anaglyphic stereo visualization application based on the AViz package to larger structures such as nanotubes. We will describe motivations and potential applications of these tools for answering interesting questions about nanotube properties.

  2. Visualization of electronic density

    SciTech Connect

    Grosso, Bastien; Cooper, Valentino R.; Pine, Polina; Hashibon, Adham; Yaish, Yuval; Adler, Joan

    2015-04-22

    An atom’s volume depends on its electronic density. Although this density can only be evaluated exactly for hydrogen-like atoms, there are many excellent numerical algorithms and packages to calculate it for other materials. 3D visualization of charge density is challenging, especially when several molecular/atomic levels are intertwined in space. We explore several approaches to 3D charge density visualization, including the extension of an anaglyphic stereo visualization application based on the AViz package to larger structures such as nanotubes. We will describe motivations and potential applications of these tools for answering interesting questions about nanotube properties.

  3. Pseudopotentials from electron density

    NASA Astrophysics Data System (ADS)

    Nagy, Á.; Andrejkovics, I.

    1996-05-01

    A method is introduced that allows the construction of pseudopotentials in the density-functional theory. This method is based on a procedure worked out by one of the authors [J. Phys. B 26, 43 (1993); Philos. Mag. B 69, 779 (1994)] for determining Kohn-Sham potentials, one-electron orbitals, and energies from the electron density. The Hartree-Fock densities of Bunge, Barrientos, and Bunge [At. Data Nucl. Data Tables 53, 114 (1993)] are used to obtain the Kohn-Sham potentials of the Li, Na, and K atoms, and then Phillips-Kleinman-type [Phys. Rev. 116, 287 (1959); 118, 1153 (1960)] pseudopotentials are calculated. The arbitrariness of the pseudo-orbital is removed by minimization of the kinetic energy.

  4. Saturn's ionosphere - Inferred electron densities

    NASA Astrophysics Data System (ADS)

    Kaiser, M. L.; Desch, M. D.; Connerney, J. E. P.

    1984-04-01

    During the two Voyager encounters with Saturn, radio bursts were detected which appear to have originated from atmospheric lightning storms. Although these bursts generally extended over frequencies from as low as 100 kHz to the upper detection limit of the instrument, 40 MHz, they often exhibited a sharp but variable low frequency cutoff below which bursts were not detected. We interpret the variable low-frequency extent of these bursts to be due to the reflection of the radio waves as they propagate through an ionosphere which varies with local time. We obtain estimates of electron densities at a variety of latitude and local time locations. These compare well with the dawn and dusk densities measured by the Pioneer 11 Voyager Radio Science investigations, and with model predictions for dayside densities. However, we infer a two-order-of-magnitude diurnal variation of electron density, which had not been anticipated by theoretical models of Saturn's ionosphere, and an equally dramatic extinction of ionospheric electron density by Saturn's rings. Previously announced in STAR as N84-17102

  5. Saturn's ionosphere - Inferred electron densities

    NASA Technical Reports Server (NTRS)

    Kaiser, M. L.; Desch, M. D.; Connerney, J. E. P.

    1984-01-01

    During the two Voyager encounters with Saturn, radio bursts were detected which appear to have originated from atmospheric lightning storms. Although these bursts generally extended over frequencies from as low as 100 kHz to the upper detection limit of the instrument, 40 MHz, they often exhibited a sharp but variable low frequency cutoff below which bursts were not detected. We interpret the variable low-frequency extent of these bursts to be due to the reflection of the radio waves as they propagate through an ionosphere which varies with local time. We obtain estimates of electron densities at a variety of latitude and local time locations. These compare well with the dawn and dusk densities measured by the Pioneer 11 Voyager Radio Science investigations, and with model predictions for dayside densities. However, we infer a two-order-of-magnitude diurnal variation of electron density, which had not been anticipated by theoretical models of Saturn's ionosphere, and an equally dramatic extinction of ionospheric electron density by Saturn's rings. Previously announced in STAR as N84-17102

  6. Saturn's ionosphere: Inferred electron densities

    NASA Technical Reports Server (NTRS)

    Kaiser, M. L.; Desch, M. D.; Connerney, J. E. P.

    1983-01-01

    During the two Voyager encounters with Saturn, radio bursts were detected which appear to have originated from atmospheric lightning storms. Although these bursts generally extended over frequencies from as low as 100 kHz to the upper detection limit of the instrument, 40 MHz, they often exhibited a sharp but variable low frequency cutoff below which bursts were not detected. We interpret the variable low-frequency extent of these bursts to be due to the reflection of the radio waves as they propagate through an ionosphere which varies with local time. We obtain estimates of electron densities at a variety of latitude and local time locations. These compare well with the dawn and dusk densitis measured by the Pioneer 11 Voyager Radio Science investigations, and with model predictions for dayside densities. However, we infer a two-order-of-magnitude diurnal variation of electron density, which had not been anticipated by theoretical models of Saturn's ionosphere, and an equally dramatic extinction of ionospheric electron density by Saturn's rings.

  7. Effect of Ni and Pd Addition on Mechanical, Thermodynamic, and Electronic Properties of AuSn4-Based Intermetallics: A Density Functional Investigation

    NASA Astrophysics Data System (ADS)

    Tian, Yali; Zhou, Wei; Wu, Ping

    2016-08-01

    The effects of Ni and Pd addition on the mechanical, thermodynamic, and electronic properties of AuSn4-based intermetallic compounds (IMCs) have been investigated by first-principles calculations to reveal the essence of Au embrittlement. Three kinds of doped (namely Ni-doped, Pd-doped, and Ni/Pd-codoped) IMCs are considered in this work. The polycrystalline elastic properties are deduced from single-crystal elastic constants. It is found that the doped systems together with nondoped AuSn4 are all ductile phases. For Ni-doped AuSn4, the modulus, hardness, brittleness, Debye temperature, and minimum thermal conductivity increase with the Ni fraction, but this is not the case for the Pd-doped material, since Au0.75Pd0.25Sn4 is the more brittle phase. For Au0.5Pd0.25Ni0.25Sn4, the mechanical, thermodynamic, and electronic properties are similar to those of Au0.5Pd0.5Sn4.

  8. Nuclear cusps in the HSF electron density

    NASA Astrophysics Data System (ADS)

    Cioslowski, Jerzy; Challacombe, Matt

    1994-07-01

    The Hiller-Sucher-Feinberg (HSF) identity provides an alternative definition for the electron density. The behavior of the HSF electron density in the vicinity of nuclei is analyzed. It is shown that the HSF density possesses nuclear cusps at which its gradient is discontinuous. The discontinuities in the HSF density gradient satisfy a simple equation analogous to Kato's electron-nuclear cusp condition. However, in contrast to Kato's condition, the electron-nuclear cusp condition is satisfied by HSF densities originating from both exact and approximate electronic wavefunctions. Several numerical examples are presented to illustrate this property of the HSF electron density.

  9. Teaching Chemistry with Electron Density Models

    NASA Astrophysics Data System (ADS)

    Shusterman, Gwendolyn P.; Shusterman, Alan J.

    1997-07-01

    Linus Pauling once said that a topic must satisfy two criteria before it can be taught to students. First, students must be able to assimilate the topic within a reasonable amount of time. Second, the topic must be relevant to the educational needs and interests of the students. Unfortunately, the standard general chemistry textbook presentation of "electronic structure theory", set as it is in the language of molecular orbitals, has a difficult time satisfying either criterion. Many of the quantum mechanical aspects of molecular orbitals are too difficult for most beginning students to appreciate, much less master, and the few applications that are presented in the typical textbook are too limited in scope to excite much student interest. This article describes a powerful new method for teaching students about electronic structure and its relevance to chemical phenomena. This method, which we have developed and used for several years in general chemistry (G.P.S.) and organic chemistry (A.J.S.) courses, relies on computer-generated three-dimensional models of electron density distributions, and largely satisfies Pauling's two criteria. Students find electron density models easy to understand and use, and because these models are easily applied to a broad range of topics, they successfully convey to students the importance of electronic structure. In addition, when students finally learn about orbital concepts they are better prepared because they already have a well-developed three-dimensional picture of electronic structure to fall back on. We note in this regard that the types of models we use have found widespread, rigorous application in chemical research (1, 2), so students who understand and use electron density models do not need to "unlearn" anything before progressing to more advanced theories.

  10. Electron (charge) density studies of cellulose models

    USDA-ARS?s Scientific Manuscript database

    Introductory material first describes electron density approaches and demonstrates visualization of electron lone pairs and bonding as concentrations of electron density. Then it focuses on the application of Bader’s Quantum Theory of Atoms-in-Molecules (AIM) to cellulose models. The purpose of the ...

  11. Teaching Chemistry with Electron Density Models.

    ERIC Educational Resources Information Center

    Shusterman, Gwendolyn P.; Shusterman, Alan J.

    1997-01-01

    Describes a method for teaching electronic structure and its relevance to chemical phenomena that relies on computer-generated three-dimensional models of electron density distributions. Discusses the quantum mechanical background needed and presents ways of using models of electronic ground states to teach electronic structure, bonding concepts,…

  12. Electron density studies of methyl cellobioside

    USDA-ARS?s Scientific Manuscript database

    Experimental X-ray diffraction crystallography determines the variations in electron density that result from the periodic array of atoms in a crystal. Normally, the positions and type of atom are determined from the electron density based on an approximation that the atoms are spherical. However, t...

  13. Absolute Measurement of Electron Cloud Density

    SciTech Connect

    Covo, M K; Molvik, A W; Cohen, R H; Friedman, A; Seidl, P A; Logan, G; Bieniosek, F; Baca, D; Vay, J; Orlando, E; Vujic, J L

    2007-06-21

    Beam interaction with background gas and walls produces ubiquitous clouds of stray electrons that frequently limit the performance of particle accelerator and storage rings. Counterintuitively we obtained the electron cloud accumulation by measuring the expelled ions that are originated from the beam-background gas interaction, rather than by measuring electrons that reach the walls. The kinetic ion energy measured with a retarding field analyzer (RFA) maps the depressed beam space-charge potential and provides the dynamic electron cloud density. Clearing electrode current measurements give the static electron cloud background that complements and corroborates with the RFA measurements, providing an absolute measurement of electron cloud density during a 5 {micro}s duration beam pulse in a drift region of the magnetic transport section of the High-Current Experiment (HCX) at LBNL.

  14. Ionospheric density enhancement during relativistic electron precipitation

    NASA Technical Reports Server (NTRS)

    Foster, J. C.; Doupnik, J. R.; Stiles, G. S.

    1980-01-01

    The temporal evolution of the ionospheric density enhancement produced by a widespread relativistic electron precipitation (REP) has been observed with the Chatanika Radar. The REP was associated with a substorm particle energization event, and both the ionospheric absorption and density perturbation exhibited an approximately 90 min periodicity associated with the particles' longitudinal drift. A 80-keV characteristic energy for the precipitating electrons is deduced from ground-based and satellite data. At the maximum of the event, electrons deposited approximately 50 ergs/sq cm per sec in the ionosphere, producing a peak density of 500,000/cu cm at 89 km altitude. At that time the radar observed densities greater than 100,000/cu cm between 70 km and 110 km altitude and riometer absorption at 30 MHz was approximately 12 db.

  15. A Robust High Current Density Electron Gun

    NASA Astrophysics Data System (ADS)

    Mako, F.; Peter, W.; Shiloh, J.; Len, L. K.

    1996-11-01

    Proof-of-principle experiments are proposed to validate a new concept for a robust, high-current density Pierce electron gun (RPG) for use in klystrons and high brightness electron sources for accelerators. This rugged, long-life electron gun avoids the difficulties associated with plasma cathodes, thermionic emitters, and field emission cathodes. The RPG concept employs the emission of secondary electrons in a transmission mode as opposed to the conventional mode of reflection, i.e., electrons exit from the back face of a thin negative electron affinity (NEA) material, and in the same direction as the incident beam. Current amplification through one stage of a NEA material could be over 50 times. The amplification is accomplished in one or more stages consisting of one primary emitter and one or more secondary emitters. The primary emitter is a low current density robust emitter (e.g., thoriated tungsten). The secondary emitters are thin NEA electrodes which emit secondary electrons in the same direction as the incident beam. Specific application is targeted for a klystron gun to be used by SLAC with a cold cathode at 30-40 amps/cm^2 output from the secondary emission stage, a ~2 μs pulse length, and ~200 pulses/second.

  16. Electron correlation by polarization of interacting densities

    NASA Astrophysics Data System (ADS)

    Whitten, Jerry L.

    2017-02-01

    Coulomb interactions that occur in electronic structure calculations are correlated by allowing basis function components of the interacting densities to polarize dynamically, thereby reducing the magnitude of the interaction. Exchange integrals of molecular orbitals are not correlated. The modified Coulomb interactions are used in single-determinant or configuration interaction calculations. The objective is to account for dynamical correlation effects without explicitly introducing higher spherical harmonic functions into the molecular orbital basis. Molecular orbital densities are decomposed into a distribution of spherical components that conserve the charge and each of the interacting components is considered as a two-electron wavefunction embedded in the system acted on by an average field Hamiltonian plus r12-1. A method of avoiding redundancy is described. Applications to atoms, negative ions, and molecules representing different types of bonding and spin states are discussed.

  17. Electron Density Profiles of the Topside Ionosphere

    NASA Technical Reports Server (NTRS)

    Huang, Xue-Qin; Reinsch, Bodo W.; Bilitza, Dieter; Benson, Robert F.

    2002-01-01

    The existing uncertainties about the electron density profiles in the topside ionosphere, i.e., in the height region from h,F2 to - 2000 km, require the search for new data sources. The ISIS and Alouette topside sounder satellites from the sixties to the eighties recorded millions of ionograms but most were not analyzed in terms of electron density profiles. In recent years an effort started to digitize the analog recordings to prepare the ionograms for computerized analysis. As of November 2001 about 350000 ionograms have been digitized from the original 7-track analog tapes. These data are available in binary and CDF format from the anonymous ftp site of the National Space Science Data Center. A search site and browse capabilities on CDAWeb assist the scientific usage of these data. All information and access links can be found at http://nssdc.gsfc.nasa.gov/space/isis/isis- status.htm1. This paper describes the ISIS data restoration effort and shows how the digital ionograms are automatically processed into electron density profiles from satellite orbit altitude (1400 km for ISIS-2) down to the F peak. Because of the large volume of data an automated processing algorithm is imperative. The TOPside Ionogram Scaler with True height algorithm TOPIST software developed for this task is successfully scaling - 70% of the ionograms. An <> is available to manually scale the more difficult ionograms. The automated processing of the digitized ISIS ionograms is now underway, producing a much-needed database of topside electron density profiles for ionospheric modeling covering more than one solar cycle.

  18. Electron Density Profiles of the Topside Ionosphere

    NASA Technical Reports Server (NTRS)

    Huang, Xue-Qin; Reinsch, Bodo W.; Bilitza, Dieter; Benson, Robert F.

    2002-01-01

    The existing uncertainties about the electron density profiles in the topside ionosphere, i.e., in the height region from h,F2 to - 2000 km, require the search for new data sources. The ISIS and Alouette topside sounder satellites from the sixties to the eighties recorded millions of ionograms but most were not analyzed in terms of electron density profiles. In recent years an effort started to digitize the analog recordings to prepare the ionograms for computerized analysis. As of November 2001 about 350000 ionograms have been digitized from the original 7-track analog tapes. These data are available in binary and CDF format from the anonymous ftp site of the National Space Science Data Center. A search site and browse capabilities on CDAWeb assist the scientific usage of these data. All information and access links can be found at http://nssdc.gsfc.nasa.gov/space/isis/isis- status.htm1. This paper describes the ISIS data restoration effort and shows how the digital ionograms are automatically processed into electron density profiles from satellite orbit altitude (1400 km for ISIS-2) down to the F peak. Because of the large volume of data an automated processing algorithm is imperative. The TOPside Ionogram Scaler with True height algorithm TOPIST software developed for this task is successfully scaling - 70% of the ionograms. An <> is available to manually scale the more difficult ionograms. The automated processing of the digitized ISIS ionograms is now underway, producing a much-needed database of topside electron density profiles for ionospheric modeling covering more than one solar cycle.

  19. Estimation of topside electron density profile using on-orbit measured GPS and electron density data.

    NASA Astrophysics Data System (ADS)

    Lee, J.

    2015-12-01

    The topside ionophere have lacks of information about plasma, but it is important for human beings and scientific applicaiton. We establish an estimation method for electron density profile using Langmuir Probe and GPS data of CHAMP satellite and have comparision the method results with other satellites measurements. In order to develop the model, hydrostatic mapping function, vertical scale height, and vertical TEC(Total Electron Contents) are used for calculations. The electron density and GPS data with hydrostatic mapping function give the vertical TEC and after some algebra using exponential model of density profile give the vertical scale height of ionosphere. The scale height have about 10^2~10^3 km order of magnitude so it can be used exponential model again since the altitude of CHAMP. Therefore, apply the scale height to exponoential model we can get the topside electron density profile. The result of the density profile model can be compared with other satellite data as STSAT-1, ROCSAT, DMSP which is measured the electron density in similar Local Time, Latitude, Longitude but above the CHAMP. This comparison shows the method is accecptable and it can be applied to other reseach for topside ionosphere.

  20. Density functional for ternary non-additive hard sphere mixtures.

    PubMed

    Schmidt, Matthias

    2011-10-19

    Based on fundamental measure theory, a Helmholtz free energy density functional for three-component mixtures of hard spheres with general, non-additive interaction distances is constructed. The functional constitutes a generalization of the previously given theory for binary non-additive mixtures. The diagrammatic structure of the spatial integrals in both functionals is of star-like (or tree-like) topology. The ternary diagrams possess a higher degree of complexity than the binary diagrams. Results for partial pair correlation functions, obtained via the Ornstein-Zernike route from the second functional derivatives of the excess free energy functional, agree well with Monte Carlo simulation data. © 2011 IOP Publishing Ltd

  1. Single electron densities: a new tool to analyze molecular wavefunctions.

    PubMed

    Lüchow, Arne; Petz, René

    2011-09-01

    A new partitioning scheme for the electron density of a many-electron wavefunction into single electron densities is proposed. These densities are based on the most probable arrangement of the electrons in an atom or molecule. Therefore, they contain information about the electron-electron interaction and, most notably, the Fermi hole due to the antisymmetry of the many-electron wavefunction. The single electron densities overlap and can be combined to electron pair distributions close to the qualitative electron pairs that represent, for instance, the basis of the valence shell electron pair repulsion model. Single electron analyses are presented for the water, ethane, and ethene molecules. The effect of electron correlation on the single electron and pair densities is investigated for the water molecule.

  2. Electron densities of three B12 vitamins.

    PubMed

    Mebs, Stefan; Henn, Julian; Dittrich, Birger; Paulmann, Carsten; Luger, Peter

    2009-07-23

    The electron densities of the three natural B(12)-vitamins, two of them being essential cofactors for animal life, were determined in a procedure combining high-order X-ray data collection at low to very low temperatures with high-level density functional calculations. In a series of extensive experimental attempts, a high-order data set of adenosylcobalamin (AdoCbl) could be collected to a resolution of sin theta/lambda = 1.00 A(-1) at 25 K. This modification contains only minor disorder at the solvent bulk. For methylcobalamin (MeCbl), only a severely disordered modification was found (sin theta/lambda = 1.00 A(-1), 100 K, measured with synchrotron radiation). The already published data set of cyanocobalamin (CNCbl) (sin theta/lambda = 1.25 A(-1), 100 K) was reintegrated to guarantee similar treatment of the three compounds and cut to sin theta/lambda = 1.11 A(-1) to obtain a higher degree of completeness and redundancy. On the basis of these accurate experimental geometries of AdoCbl, MeCbl, and CNCbl, state-of-the-art density functional calculations, single-point calculations, and geometry optimizations were performed on model compounds at the BP86/TZVP level of theory to evaluate the electronic differences of the three compounds. AdoCbl and MeCbl are known to undergo different reaction paths in the body. Thus, the focus was directed toward the characterization of the dative Co-C(ax) and Co-N(ax) bonds, which were quantifed by topological parameters, including energy densities; the source function including local source; and the electron localizability indicator (ELI-D), respectively. The source function reveals the existence of delocalized interactions between the corrin macrocycle and the axial ligands. The ELI-D indicates unsaturated Co-C(ax) bonding basins for the two biochemically active cofactors, but not for CNCbl, where a population of 2.2e is found. This may be related to significant pi-backbonding, which is supported by the delocalization index, delta

  3. High Density Mastering Using Electron Beam

    NASA Astrophysics Data System (ADS)

    Kojima, Yoshiaki; Kitahara, Hiroaki; Kasono, Osamu; Katsumura, Masahiro; Wada, Yasumitsu

    1998-04-01

    A mastering system for the next-generation digital versatile disk (DVD) is required to have a higher resolution compared with the conventional mastering systems. We have developed an electron beam mastering machine which features a thermal field emitter and a vacuum sealed air spindle motor. Beam displacement caused by magnetic fluctuation with spindle rotation was about 60 nm(p-p) in both the radial and tangential directions. Considering the servo gain of a read-out system, it has little influence on the read-out signal in terms of tracking errors and jitters. The disk performance was evaluated by recording either the 8/16 modulation signal or a groove on the disk. The electron beam recording showed better jitter values from the disk playback than those from a laser beam recorder. The deviation of track pitch was 44 nm(p-p). We also confirmed the high density recording with a capacity reaching 30 GB.

  4. Modeling Ionosphere Environments: Creating an ISS Electron Density Tool

    NASA Technical Reports Server (NTRS)

    Gurgew, Danielle N.; Minow, Joseph I.

    2011-01-01

    The International Space Station (ISS) maintains an altitude typically between 300 km and 400 km in low Earth orbit (LEO) which itself is situated in the Earth's ionosphere. The ionosphere is a region of partially ionized gas (plasma) formed by the photoionization of neutral atoms and molecules in the upper atmosphere of Earth. It is important to understand what electron density the spacecraft is/will be operating in because the ionized gas along the ISS orbit interacts with the electrical power system resulting in charging of the vehicle. One instrument that is already operational onboard the ISS with a goal of monitoring electron density, electron temperature, and ISS floating potential is the Floating Potential Measurement Unit (FPMU). Although this tool is a valuable addition to the ISS, there are limitations concerning the data collection periods. The FPMU uses the Ku band communication frequency to transmit data from orbit. Use of this band for FPMU data runs is often terminated due to necessary observation of higher priority Extravehicular Activities (EVAs) and other operations on ISS. Thus, large gaps are present in FPMU data. The purpose of this study is to solve the issue of missing environmental data by implementing a secondary electron density data source, derived from the COSMIC satellite constellation, to create a model of ISS orbital environments. Extrapolating data specific to ISS orbital altitudes, we model the ionospheric electron density along the ISS orbit track to supply a set of data when the FPMU is unavailable. This computer model also provides an additional new source of electron density data that is used to confirm FPMU is operating correctly and supplements the original environmental data taken by FPMU.

  5. Interconnections between atomic-electron density and electron-momentum density: Leading and tail corrections

    NASA Astrophysics Data System (ADS)

    Gadre, Shridhar R.; Chakravorty, Subhas J.

    1986-02-01

    The Burkhardt-Konya-Coulson-March (BKCM) procedure developed by Gadre and Pathak for direct and reverse transformations between atomic-electron density and electron-momentum density has been modified. The modification is based on a work by Allan and March suggesting the use of a square of the Fourier transform of √ρ(r) for obtaining electron-momentum density at small as well as large p values. The new procedure [grafted-BKCM (G-BKCM)] involves an amalgamation of these procedures: the Allan-March procedure being grafted onto the BKCM method for low and high p values. The G-BKCM method has been tested out in direct as well as reverse directions and is seen to lead to extremely good estimates of atomic properties in the conjugate space.

  6. Experimental charge density from electron microscopic maps.

    PubMed

    Wang, Jimin

    2017-08-01

    The charge density (CD) distribution of an atom is the difference per unit volume between the positive charge of its nucleus and the distribution of the negative charges carried by the electrons that are associated with it. The CDs of the atoms in macromolecules are responsible for their electrostatic potential (ESP) distributions, which can now be visualized using cryo-electron microscopy at high resolution. CD maps can be recovered from experimental ESP density maps using the negative Laplacian operation. CD maps are easier to interpret than ESP maps because they are less sensitive to long-range electrostatic effects. An ESP-to-CD conversion involves multiplication of amplitudes of structure factors as Fourier transforms of these maps in reciprocal space by 1/d(2) , where d is the resolution of reflections. In principle, it should be possible to determine the charges carried by the individual atoms in macromolecules by comparing experimental CD maps with experimental ESP maps. © 2017 The Protein Society.

  7. Electron density measurements for plasma adaptive optics

    NASA Astrophysics Data System (ADS)

    Neiswander, Brian W.

    Over the past 40 years, there has been growing interest in both laser communications and directed energy weapons that operate from moving aircraft. As a laser beam propagates from an aircraft in flight, it passes through boundary layers, turbulence, and shear layers in the near-region of the aircraft. These fluid instabilities cause strong density gradients which adversely affect the transmission of laser energy to a target. Adaptive optics provides corrective measures for this problem but current technology cannot respond quickly enough to be useful for high speed flight conditions. This research investigated the use of plasma as a medium for adaptive optics for aero-optics applications. When a laser beam passes through plasma, its phase is shifted proportionally to the electron density and gas heating within the plasma. As a result, plasma can be utilized as a dynamically controllable optical medium. Experiments were carried out using a cylindrical dielectric barrier discharge plasma chamber which generated a sub-atmospheric pressure, low-temperature plasma. An electrostatic model of this design was developed and revealed an important design constraint relating to the geometry of the chamber. Optical diagnostic techniques were used to characterize the plasma discharge. Single-wavelength interferometric experiments were performed and demonstrated up to 1.5 microns of optical path difference (OPD) in a 633 nm laser beam. Dual-wavelength interferometry was used to obtain time-resolved profiles of the plasma electron density and gas heating inside the plasma chamber. Furthermore, a new multi-wavelength infrared diagnostic technique was developed and proof-of-concept simulations were conducted to demonstrate the system's capabilities.

  8. Analysis of the IMAGE RPI electron density data and CHAMP plasmasphere electron density reconstructions with focus on plasmasphere modelling

    NASA Astrophysics Data System (ADS)

    Gerzen, T.; Feltens, J.; Jakowski, N.; Galkin, I.; Reinisch, B.; Zandbergen, R.

    2016-09-01

    The electron density of the topside ionosphere and the plasmasphere contributes essentially to the overall Total Electron Content (TEC) budget affecting Global Navigation Satellite Systems (GNSS) signals. The plasmasphere can cause half or even more of the GNSS range error budget due to ionospheric propagation errors. This paper presents a comparative study of different plasmasphere and topside ionosphere data aiming at establishing an appropriate database for plasmasphere modelling. We analyze electron density profiles along the geomagnetic field lines derived from the Imager for Magnetopause-to-Aurora Global Exploration (IMAGE) satellite/Radio Plasma Imager (RPI) records of remote plasma sounding with radio waves. We compare these RPI profiles with 2D reconstructions of the topside ionosphere and plasmasphere electron density derived from GNSS based TEC measurements onboard the Challenging Minisatellite Payload (CHAMP) satellite. Most of the coincidences between IMAGE profiles and CHAMP reconstructions are detected in the region with L-shell between 2 and 5. In general the CHAMP reconstructed electron densities are below the IMAGE profile densities, with median of the CHAMP minus IMAGE residuals around -588 cm-3. Additionally, a comparison is made with electron densities derived from passive radio wave RPI measurements onboard the IMAGE satellite. Over the available 2001-2005 period of IMAGE measurements, the considered combined data from the active and passive RPI operations cover the region within a latitude range of ±60°N, all longitudes, and an L-shell ranging from 1.2 to 15. In the coincidence regions (mainly 2 ⩽ L ⩽ 4), we check the agreement between available active and passive RPI data. The comparison shows that the measurements are well correlated, with a median residual of ∼52 cm-3. The RMS and STD values of the relative residuals are around 22% and 21% respectively. In summary, the results encourage the application of IMAGE RPI data for

  9. Extreme atmospheric electron densities created by extensive air showers

    NASA Astrophysics Data System (ADS)

    Rutjes, Casper; Camporeale, Enrico; Ebert, Ute; Buitink, Stijn; Scholten, Olaf; Trinh, Gia

    2016-04-01

    A sufficient density of free electrons and strong electric fields are the basic requirements to start any electrical discharge. In the context of thunderstorm discharges it has become clear that in addition droplets and or ice particles are required to enhance the electric field to values above breakdown. In our recent study [1] we have shown that these three ingredients have to interplay to allow for lightning inception, triggered by an extensive air shower event. The extensive air showers are a very stochastic natural phenomenon, creating highly coherent bursts of extreme electron density in our atmosphere. Predicting these electron density bursts accurately one has to take the uncertainty of the input variables into account. To this end we use uncertainty quantification methods, like in [2], to post-process our detailed Monte Carlo extensive air shower simulations, done with the CORSIKA [3] software package, which provides an efficient and elegant way to determine the distribution of the atmospheric electron density enhancements. We will present the latest results. [1] Dubinova, A., Rutjes, C., Ebert, E., Buitink, S., Scholten, O., and Trinh, G. T. N. "Prediction of Lightning Inception by Large Ice Particles and Extensive Air Showers." PRL 115 015002 (2015) [2] G.J.A. Loeven, J.A.S. Witteveen, H. Bijl, Probabilistic collocation: an efficient nonintrusive approach for arbitrarily distributed parametric uncertainties, 45th AIAA Aerospace Sciences Meeting, Reno, Nevada, 2007, AIAA-2007-317 [3] Heck, Dieter, et al. CORSIKA: A Monte Carlo code to simulate extensive air showers. No. FZKA-6019. 1998.

  10. Electron density irregularities observed on DE-2

    NASA Technical Reports Server (NTRS)

    Hoegy, W. R.; Curtis, S. A.; Brace, L. H.

    1986-01-01

    Observations of electron density irregularities have been made with the Langmuir probe (LANG) on DE-2. The DE-2 LANG data were examined for irregularities with scale sizes of 30 to 170 km. Such irregularities were found at all longitudes in the polar cap and auroral oval with stronger fluctuations in the oval. Night time equatorial passes having local times near 1900 or 2400 LT and occurring in an 80 day wide band about equinox were examined for irregularity occurrence. A definite longitude pattern was found in the data from several hundred orbits which showed an eastward shift at later local times. The equatorial irregularity occurrence pattern found in the LANG data is consistent with earlier in situ and remote observations of irregularities and spread F. In fact, the combined data set was found to closely follow the season-longitude pattern determined by the condition of solar terminator alignment with magnetic field lines. Tsunoda (1985) first showed this correlation with scintillation data.

  11. Effect of argon additive on H- density and temperature in volume negative ion source

    NASA Astrophysics Data System (ADS)

    Ivanov, A. A.; Bacal, M.; Rouillé, C.; Nishiura, M.; Sasao, M.

    2004-05-01

    Various plasma parameters were measured for several hydrogen-argon mixtures in the multicusp H- ion source Camembert III, equipped with tantalum filaments. The density and the temperature of electrons were measured with the Langmuir probe situated in the center of the source and associated with the photodetachment diagnostics. The two-laser photodetachment diagnostics was used to obtain the temperatures of the two negative ion populations. At low hydrogen pressure (0.8 mTorr) a small concentration of argon additive enhances the hydrogen negative ion density (by approximately 60%), it also increases the electron density. The negative ion population fractions having the high- and low-temperature values behave differently when varying the total pressure in pure hydrogen and in hydrogen with argon additive. Several possible explanations of the drastic change of the relative ratio of negative ion populations when the argon fraction is increased, are proposed. Another interesting phenomenon observed during the experiments is the decrease with time of the H- density in the presence of argon. After adding the argon during the time interval of ˜1 h the H- density goes down and finally establishes at a minimum value. The final H- density is lower than the H- density in pure hydrogen plasma before adding argon. This "poisoning" is discussed in terms of wall production of vibrationally excited H2 molecules.

  12. Electron Density Determination, Bonding and Properties of Tetragonal Ferromagnetic Intermetallics

    SciTech Connect

    Wiezorek, Jorg

    2016-09-01

    The project developed quantitative convergent-beam electron diffraction (QCBED) methods by energy-filtered transmission electron microscopy (EFTEM) and used them in combination with density functional theory (DFT) calculations to study the electron density distribution in metallic and intermetallic phases with different cubic and non-cubic crystal structures that comprise elements with d-electron shells. The experimental methods developed here focus on the bonding charge distribution as one of the quantum mechanical characteristics central for understanding of intrinsic properties and validation of DFT calculations. Multiple structure and temperature factors have been measured simultaneously from nano-scale volumes of high-quality crystal with sufficient accuracy and precision for comparison with electron density distribution calculations by DFT. The often anisotropic temperature factors for the different atoms and atom sites in chemically ordered phases can differ significantly from those known for relevant pure element crystals due to bonding effects. Thus they have been measured from the same crystal volumes from which the structure factors have been determined. The ferromagnetic ordered intermetallic phases FePd and FePt are selected as model systems for 3d-4d and 3d-5d electron interactions, while the intermetallic phases NiAl and TiAl are used to probe 3d-3p electron interactions. Additionally, pure transition metal elements with d-electrons have been studied. FCC metals exhibit well defined delocalized bonding charge in tetrahedral sites, while less directional, more distributed bonding charge attains in BCC metals. Agreement between DFT calculated and QCBED results degrades as d-electron levels fill in the elements, and for intermetallics as d-d interactions become prominent over p-d interactions. Utilizing the LDA+U approach enabled inclusion of onsite Coulomb-repulsion effects in DFT calculations, which can afford improved agreements with QCBED results

  13. FUSION++: A New Data Assimilative Model for Electron Density Forecasting

    NASA Astrophysics Data System (ADS)

    Bust, G. S.; Comberiate, J.; Paxton, L. J.; Kelly, M.; Datta-Barua, S.

    2014-12-01

    There is a continuing need within the operational space weather community, both civilian and military, for accurate, robust data assimilative specifications and forecasts of the global electron density field, as well as derived RF application product specifications and forecasts obtained from the electron density field. The spatial scales of interest range from a hundred to a few thousand kilometers horizontally (synoptic large scale structuring) and meters to kilometers (small scale structuring that cause scintillations). RF space weather applications affected by electron density variability on these scales include navigation, communication and geo-location of RF frequencies ranging from 100's of Hz to GHz. For many of these applications, the necessary forecast time periods range from nowcasts to 1-3 hours. For more "mission planning" applications, necessary forecast times can range from hours to days. In this paper we present a new ionosphere-thermosphere (IT) specification and forecast model being developed at JHU/APL based upon the well-known data assimilation algorithms Ionospheric Data Assimilation Four Dimensional (IDA4D) and Estimating Model Parameters from Ionospheric Reverse Engineering (EMPIRE). This new forecast model, "Forward Update Simple IONosphere model Plus IDA4D Plus EMPIRE (FUSION++), ingests data from observations related to electron density, winds, electric fields and neutral composition and provides improved specification and forecast of electron density. In addition, the new model provides improved specification of winds, electric fields and composition. We will present a short overview and derivation of the methodology behind FUSION++, some preliminary results using real observational sources, example derived RF application products such as HF bi-static propagation, and initial comparisons with independent data sources for validation.

  14. Rocket-borne measurements of electron temperature and density with the Electron Retarding Potential Analyzer instrument

    NASA Astrophysics Data System (ADS)

    Cohen, I. J.; Widholm, M.; Lessard, M. R.; Riley, P.; Heavisides, J.; Moen, J. I.; Clausen, L. B. N.; Bekkeng, T. A.

    2016-07-01

    Determining electron temperature in the ionosphere is a fundamentally important measurement for space science. Obtaining measurements of electron temperatures at high altitudes (>700 km) is difficult because of limitations on ground-based radar and classic spacecraft instrumentation. In light of these limitations, the rocket-borne Electron Retarding Potential Analyzer (ERPA) was developed to allow for accurate in situ measurement of ionospheric electron temperature with a simple and low-resource instrument. The compact ERPA, a traditional retarding potential analyzer with multiple baffle collimators, allows for a straightforward calculation of electron temperature. Since its first mission in 2004, it has amassed significant flight heritage and obtained data used in multiple studies investigating a myriad of phenomena related to magnetosphere-ionosphere coupling. In addition to highlighting the scientific contributions of the ERPA instrument, this paper outlines its theory and operation, the methodology used to obtain electron temperature measurements, and a comparative study suggesting that the ERPA can also provide electron density measurements.

  15. Imaginary time density-density correlations for two-dimensional electron gases at high density

    SciTech Connect

    Motta, M.; Galli, D. E.; Moroni, S.; Vitali, E.

    2015-10-28

    We evaluate imaginary time density-density correlation functions for two-dimensional homogeneous electron gases of up to 42 particles in the continuum using the phaseless auxiliary field quantum Monte Carlo method. We use periodic boundary conditions and up to 300 plane waves as basis set elements. We show that such methodology, once equipped with suitable numerical stabilization techniques necessary to deal with exponentials, products, and inversions of large matrices, gives access to the calculation of imaginary time correlation functions for medium-sized systems. We discuss the numerical stabilization techniques and the computational complexity of the methodology and we present the limitations related to the size of the systems on a quantitative basis. We perform the inverse Laplace transform of the obtained density-density correlation functions, assessing the ability of the phaseless auxiliary field quantum Monte Carlo method to evaluate dynamical properties of medium-sized homogeneous fermion systems.

  16. Existence of time-dependent density-functional theory for open electronic systems: time-dependent holographic electron density theorem.

    PubMed

    Zheng, Xiao; Yam, ChiYung; Wang, Fan; Chen, GuanHua

    2011-08-28

    We present the time-dependent holographic electron density theorem (TD-HEDT), which lays the foundation of time-dependent density-functional theory (TDDFT) for open electronic systems. For any finite electronic system, the TD-HEDT formally establishes a one-to-one correspondence between the electron density inside any finite subsystem and the time-dependent external potential. As a result, any electronic property of an open system in principle can be determined uniquely by the electron density function inside the open region. Implications of the TD-HEDT on the practicality of TDDFT are also discussed.

  17. Relativistic Electron Beam Transport and Characteristics in Solid Density Plasmas

    SciTech Connect

    Snavely, R A; King, J; Freeman, R R; Hatchett, S; Key, M H; Koch, J; Langdon, A B; Lasinsky, B; MacKinnon, A; Wilks, S; Stephens, R

    2003-08-13

    The transport of intense relativistic beams in solid density plasma presently is actively being studied in laser laboratories around the world. The correct understanding of the transport enables further application of fast laser driven electrons to a host of interesting uses. Advanced x-ray sources, proton and ion beam generation and plasma heating in fast ignitor fusion all are owed their eventual utility to this transport. We report on measurements of relativistic transport over the whole of the transport region, via analysis of x-ray emission. Our experiments cover laser powers from Terawatt to Petawatt. Advances in transverse imaging of fluorescent k-alpha x-rays generated along the electron beam path are used to diagnose the electron emission. Additionally the spatial pattern of Bremsstrahlung x-rays provides clues into the physics of electron transport in above Alfven current limit beams. Issues regarding the electron distribution function will be discussed in light of possible electron transport anomalies. The initial experiments performed on the Nova Petawatt Laser System were those associated with determining the nature of the electrons and x-rays in this relativistic regime especially those useful for advanced radiography sources suitable for diagnostic use in dense high-Z dynamic processes or as the driver of a relativistic electron source in the Fast-Ignitor Inertial Confinement fusion concept. The development of very large arrays of thermoluminescent detectors is detailed along with their response. The characteristic pattern of x-rays and their intensity is found from detailed analysis of the TLD detector array data. Peak intensities as high as 2 Rads at 1 meter were measured with these shielded TLD arrays. An average energy yield of x-rays of 11 Joules indicates a very large fraction of 45-55% of the laser energy is absorbed into relativistic electrons. The pattern of x-ray distribution lends insight to the initial relativistic electron distribution

  18. The behavior of electron density and temperature during ionospheric heating near the fifth electron gyrofrequency

    NASA Astrophysics Data System (ADS)

    Wu, Jun; Wu, Jian; Rietveld, M. T.; Haggstrom, I.; Zhao, Haisheng; Xu, Zhengwen

    2017-01-01

    The experimental phenomena involving the changes in electron temperature and electron density as a function of pump frequency during an ionospheric heating campaign at European Incoherent Scatter near Tromsø, Norway, are reported. When the pump frequency is slightly above the fifth electron gyrofrequency, the UHF radar observation shows some apparent enhancements over a wide altitude range in radar echo, ion line, and electron density respectively, which are apparently altitude independent and consistent temporally with the upshifting and spread of plasma line around the reflection altitude. However, they do not, in fact, correspond to true increase in electron density. Based on some existing theories, some discussions are presented to try to explain the above enhancements and the upshifting and spread of plasma line. Even so, the mechanism remains to be determined. In addition, the observation also shows some enhancements in electron temperature as a function of pump frequency around the reflection altitude of the pump, which are dependent on the behavior of dispersion of the upper hybrid wave near the fifth electron gyrofrequency.

  19. A real-space stochastic density matrix approach for density functional electronic structure.

    PubMed

    Beck, Thomas L

    2015-12-21

    The recent development of real-space grid methods has led to more efficient, accurate, and adaptable approaches for large-scale electrostatics and density functional electronic structure modeling. With the incorporation of multiscale techniques, linear-scaling real-space solvers are possible for density functional problems if localized orbitals are used to represent the Kohn-Sham energy functional. These methods still suffer from high computational and storage overheads, however, due to extensive matrix operations related to the underlying wave function grid representation. In this paper, an alternative stochastic method is outlined that aims to solve directly for the one-electron density matrix in real space. In order to illustrate aspects of the method, model calculations are performed for simple one-dimensional problems that display some features of the more general problem, such as spatial nodes in the density matrix. This orbital-free approach may prove helpful considering a future involving increasingly parallel computing architectures. Its primary advantage is the near-locality of the random walks, allowing for simultaneous updates of the density matrix in different regions of space partitioned across the processors. In addition, it allows for testing and enforcement of the particle number and idempotency constraints through stabilization of a Feynman-Kac functional integral as opposed to the extensive matrix operations in traditional approaches.

  20. An Overview of Ionospheric Electron Density Variations over Istanbul

    NASA Astrophysics Data System (ADS)

    Kaymaz, Zerefsan; Türk Katircioglu, Filiz; Ceren Moral, Aysegul; Emine Ceren Kalafatoglu Eyiguler, R. A..; Zabotin, Nikolai

    2016-07-01

    This study will present the temporal variations in electron density measured in Istanbul (42, 29) using Dynasonde observations. Dynasonde is a type of ionosonde that can measure the dynamics of the ionosphere. Istanbul Dynasonde was established in October 2012 and collecting data since then. The NeXtYZ software have been used to convert ionospheric signals into ionospheric data. In this study, among 72 outputs of ionospheric parameters, electron density, and critical frequency for F2 layer, and TEC have been studied to reveal the ionospheric variations over Istanbul. Statistics for seasonal, monthly and daily variations were obtained by scanning thorough about two years of ionograms. Four types of temporal variability were determined depending on the season and the time of the day. Gravity waves were detected very clearly in the ionograms at this mid-latitude station. In addition, magnetic substorm signatures on the electron density are clearly noticeable and are seen both positive and negative phases. In this talk we will give an overview of the results based on the first two years of the Dynasonde operation in Istanbul.

  1. Electron density measurements in a photoinitiated, impulse-enhanced, electrically excited laser gas discharge

    NASA Astrophysics Data System (ADS)

    Seguin, V. A.; Seguin, H. J. J.; Capjack, C. E.; Nikumb, S. K.

    1986-11-01

    Measurements of the electron density within a photo-initiated, impulse-enhanced, electrically excited (PIE) laser gas discharge are presented. Ion current measurements were made using a single Langmuir electrostatic probe positioned within the laser discharge volume. Calculations of the electron density were made utilizing a thick-sheath analysis. The results indicate that the electron density increases by two orders of magnitude as the pulser power level is increased. In addition, the electron density was observed to decrease markedly as the dc discharge current was increased.

  2. Seismo-ionospheric coupling appearing as equatorial electron density enhancements observed via DEMETER electron density measurements

    NASA Astrophysics Data System (ADS)

    Ryu, K.; Lee, E.; Chae, J. S.; Parrot, M.; Pulinets, S.

    2014-10-01

    We report the processes and results of statistical analysis on the ionospheric electron density data measured by the Detection of Electro-Magnetic Emissions Transmitted from Earthquake Regions (DEMETER) satellite over a period of 6 years (2005-2010), in order to investigate the correlation between seismic activity and equatorial plasma density variations. To simplify the analysis, three equatorial regions with frequent earthquakes were selected and then one-dimensional time series analysis between the daily seismic activity indices and the equatorial ionization anomaly (EIA) intensity indices, which represent relative equatorial electron density increase, were performed for each region. The statistically significant values of the lagged cross-correlation function, particularly in the region with minimal effects of longitudinal asymmetry, indicate that some of the very large earthquakes with M > 5.0 in the low-latitude region can accompany observable precursory and concurrent EIA enhancements, even though the seismic activity is not the most significant driver of the equatorial ionospheric evolution. The physical mechanisms of the seismo-ionospheric coupling is consistent with our observation, and the possibility of earthquake prediction using the EIA intensity variation is discussed.

  3. Simultaneous viscosity and density measurement of small volumes of liquids using a vibrating microcantilever† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c6an02674e Click here for additional data file.

    PubMed Central

    Payam, A. F.; Trewby, W.

    2017-01-01

    Many industrial and technological applications require precise determination of the viscosity and density of liquids. Such measurements can be time consuming and often require sampling substantial amounts of the liquid. These problems can partly be overcome with the use of microcantilevers but most existing methods depend on the specific geometry and properties of the cantilever, which renders simple, accurate measurement difficult. Here we present a new approach able to simultaneously quantify both the density and the viscosity of microliters of liquids. The method, based solely on the measurement of two characteristic frequencies of an immersed microcantilever, is completely independent of the choice of a cantilever. We derive analytical expressions for the liquid's density and viscosity and validate our approach with several simple liquids and different cantilevers. Application of our model to non-Newtonian fluids shows that the calculated viscosities are remarkably robust when compared to measurements obtained from a standard rheometer. However, the results become increasingly dependent on the cantilever geometry as the frequency-dependent nature of the liquid's viscosity becomes more significant. PMID:28352874

  4. Ionospheric E-region electron density and neutral atmosphere variations

    NASA Technical Reports Server (NTRS)

    Stick, T. L.

    1976-01-01

    Electron density deviations from a basic variation with the solar zenith angle were investigated. A model study was conducted in which the effects of changes in neutral and relative densities of atomic and molecular oxygen on calculated electron densities were compared with incoherent scatter measurements in the height range 100-117 km at Arecibo, Puerto Rico. The feasibility of determining tides in the neutral atmosphere from electron density profiles was studied. It was determined that variations in phase between the density and temperature variation and the comparable magnitudes of their components make it appear improbable that the useful information on tidal modes can be obtained in this way.

  5. Probing Electron Dynamics with the Laplacian of the Momentum Density

    SciTech Connect

    Sukumar, N.; MacDougall, Preston J.; Levit, M. Creon

    2012-09-24

    This chapter in the above-titled monograph presents topological analysis of the Laplacian of the electron momentum density in organic molecules. It relates topological features in this distribution to chemical and physical properties, particularly aromaticity and electron transport.

  6. Momentum-space properties from coordinate-space electron density

    SciTech Connect

    Harbola, Manoj K.; Zope, Rajendra R.; Kshirsagar, Anjali; Pathak, Rajeev K.

    2005-05-22

    Electron density and electron momentum density, while independently tractable experimentally, bear no direct connection without going through the many-electron wave function. However, invoking a variant of the constrained-search formulation of density-functional theory, we develop a general scheme (valid for arbitrary external potentials) yielding decent momentum-space properties, starting exclusively from the coordinate-space electron density. A numerical illustration of the scheme is provided for the closed-shell atomic systems He, Be, and Ne in their ground state and for 1s{sup 1} 2s{sup 1} singlet electronic excited state for helium by calculating the Compton profiles and the expectation values derived from given coordinate-space electron densities.

  7. Electronic and nuclear flux densities in the H2 molecule

    NASA Astrophysics Data System (ADS)

    Hermann, G.; Paulus, B.; Pérez-Torres, J. F.; Pohl, V.

    2014-05-01

    We present a theoretical study of the electronic and nuclear flux densities of a vibrating H2 molecule after an electronic excitation by a short femtosecond laser pulse. The final state, a coherent superposition of the electronic ground state X1Σg+ and the electronic excited state B1Σu+, evolves freely and permits the partition of the electronic flux density into two competing fluxes: the adiabatic and the transition flux density. The nature of the two fluxes allows us to identify two alternating dynamics of the electronic motion, occurring on the attosecond and the femtosecond time scales. In contradistinction to the adiabatic electronic flux density, the transition electronic flux density shows a dependence on the carrier-envelope phase of the laser field, encoding information of the interaction of the electrons with the electric field. Furthermore, the nuclear flux density displays multiple reversals, a quantum effect recently discovered by Manz et al. [J. Manz, J. F. Pérez-Torres, and Y. Yang, Phys. Rev. Lett. 111, 153004 (2013), 10.1103/PhysRevLett.111.153004], calling for investigation of the electronic flux density.

  8. Charge density waves in strongly correlated electron systems

    NASA Astrophysics Data System (ADS)

    Chen, Chih-Wei; Choe, Jesse; Morosan, E.

    2016-08-01

    Strong electron correlations are at the heart of many physical phenomena of current interest to the condensed matter community. Here we present a survey of the mechanisms underlying such correlations in charge density wave (CDW) systems, including the current theoretical understanding and experimental evidence for CDW transitions. The focus is on emergent phenomena that result as CDWs interact with other charge or spin states, such as magnetism and superconductivity. In addition to reviewing the CDW mechanisms in 1D, 2D, and 3D systems, we pay particular attention to the prevalence of this state in two particular classes of compounds, the high temperature superconductors (cuprates) and the layered transition metal dichalcogenides. The possibilities for quantum criticality resulting from the competition between magnetic fluctuations and electronic instabilities (CDW, unconventional superconductivity) are also discussed.

  9. Polar cap electron densities from DE 1 plasma wave observations

    NASA Technical Reports Server (NTRS)

    Persoon, A. M.; Gurnett, D. A.; Shawhan, S. D.

    1983-01-01

    Electric-field-spectum measurements from the plasma-wave instrument on the Dynamics Explorer 1 spacecraft are used to study the local electron density at high altitudes in the northern polar-cap region. The electron density is determined from the upper cutoff of whistler-mode radiation at the electron plasma frequency. Median density values over the polar cap at L greater than 10 are found to vary from 35.2 + or - 8.5 cu cm at 2.1 earth radii to 0.99 + or - 0.51 cu cm at 4.66 earth radii. The steady-state radial-outflow model is examined for consistency with the observed density profile. A power-law fit to the radial variation of the electron density yields an exponent of - 3.85 + or - 0.32, which for the radial-outflow model implies a flow velocity increasing nearly linearly with incresing radial distance. Comparison of the observed electron densities with theoretical polar-wind densities yields consistent results up to 2.8 earth radii. A comparison of the observed electron densities with low-altitude density profiles from the Alouette II and ISIS 1 spacecraft illustrates transitions in the slope of the profile at 1.16 earth radii and between 1.55 and 2.0 earth radii. The changes in the density profile suggest that changes occur in the basic radial-transport processes at these altitudes.

  10. Ligand identification using electron-density mapcorrelations

    SciTech Connect

    Terwilliger, Thomas C.; Adams, Paul D.; Moriarty, Nigel W.; Cohn,Judith D.

    2006-12-01

    A procedure for the identification of ligands bound incrystal structuresof macromolecules is described. Two characteristics ofthe density corresponding to a ligand are used in the identificationprocedure. One is the correlation of the ligand density with each of aset of test ligands after optimization of the fit of that ligand to thedensity. The other is the correlation of a fingerprint of the densitywith the fingerprint of model density for each possible ligand. Thefingerprints consist of an ordered list of correlations of each the testligands with the density. The two characteristics are scored using aZ-score approach in which the correlations are normalized to the mean andstandard deviation of correlations found for a variety of mismatchedligand-density pairs, so that the Z scores are related to the probabilityof observing a particular value of the correlation by chance. Theprocedure was tested with a set of 200 of the most commonly found ligandsin the Protein Data Bank, collectively representing 57 percent of allligands in the Protein Data Bank. Using a combination of these twocharacteristics of ligand density, ranked lists of ligand identificationswere made for representative (F-o-F-c) exp(i phi(c)) difference densityfrom entries in the Protein Data Bank. In 48 percent of the 200 cases,the correct ligand was at the top of the ranked list of ligands. Thisapproach may be useful in identification of unknown ligands in newmacromolecular structures as well as in the identification of whichligands in a mixture have bound to a macromolecule.

  11. MAVEN observations of dayside peak electron densities in the ionosphere of Mars

    NASA Astrophysics Data System (ADS)

    Vogt, Marissa F.; Withers, Paul; Fallows, Kathryn; Andersson, Laila; Girazian, Zachary; Mahaffy, Paul R.; Benna, Mehdi; Elrod, Meredith K.; Connerney, John E. P.; Espley, Jared R.; Eparvier, Frank G.; Jakosky, Bruce M.

    2017-01-01

    The peak electron density in the dayside Martian ionosphere is a valuable diagnostic of the state of the ionosphere. Its dependence on factors like the solar zenith angle, ionizing solar irradiance, neutral scale height, and electron temperature has been well studied. The Mars Atmosphere and Volatile EvolutioN spacecraft's September 2015 "deep dip" orbits, in which the orbital periapsis was lowered to 125 km, provided the first opportunity since Viking to sample in situ a complete dayside electron density profile including the main peak. Here we present peak electron density measurements from 37 deep dip orbits and describe conditions at the altitude of the main peak, including the electron temperature and composition of the ionosphere and neutral atmosphere. We find that the dependence of the peak electron density and the altitude of the main peak on solar zenith angle are well described by analytical photochemical theory. Additionally, we find that the electron temperatures at the main peak display a dependence on solar zenith angle that is consistent with the observed variability in the peak electron density. Several peak density measurements were made in regions of large crustal magnetic field, but there is no clear evidence that the crustal magnetic field strength influences the peak electron density, peak altitude, or electron temperature. Finally, we find that the fractional abundance of O2+ and CO2+ at the peak altitude is variable but that the two species together consistently represent 95% of the total ion density.

  12. The experimental electron density in polymorphs A and B of the anti-ulcer drug famotidine

    NASA Astrophysics Data System (ADS)

    Overgaard, J.; Hibbs, D. E.

    2004-09-01

    A multipole description of the electron-density distribution in the two polymorphs of famotidine is given. The electrostatic potential shown on the molecular surfaces provides additional information on molecular reactivity.

  13. Slip-additive migration, surface morphology, and performance on injection moulded high-density polyethylene closures.

    PubMed

    Dulal, Nabeen; Shanks, Robert; Gengenbach, Thomas; Gill, Harsharn; Chalmers, David; Adhikari, Benu; Pardo Martinez, Isaac

    2017-11-01

    The amount and distribution of slip agents, erucamide, and behenamide, on the surface of high-density polyethene, is determined by integral characteristics of slip agent structure and polymer morphology. A suite of surface analysis techniques was applied to correlate physicochemical properties with slip-additive migration behaviour and their surface morphology. The migration, surface morphology and physicochemical properties of the slip additives, crystallinity and orientation of polyethene spherulites and interaction between slip additives and high-density polyethene influence the surface characteristics. The high-density polyethene closures were produced with erucamide and behenamide separately and stored until they produced required torque. Surface composition was determined employing spectroscopy and gas chromatography. The distribution of additives was observed under optical, scanning electron and atomic force microscopes. The surface energy, crystallinity and application torque were measured using contact angle, differential scanning calorimeter and a torque force tester respectively. Each slip additive produced a characteristic amide peak at 1645cm(-1) in infrared spectroscopy and peaks of oxygen and nitrogen in X-ray photoelectron spectroscopy, suggesting their presence on the surface. The erucamide produced placoid scale-like structures and behenamide formed denticulate structures. The surface erucamide and behenamide responsible for reducing the torque was found to be 15.7µg/cm(2) and 1.7µg/cm(2). Copyright © 2017 Elsevier Inc. All rights reserved.

  14. The topology of the Coulomb potential density. A comparison with the electron density, the virial energy density, and the Ehrenfest force density.

    PubMed

    Ferreira, Lizé-Mari; Eaby, Alan; Dillen, Jan

    2017-09-30

    The topology of the Coulomb potential density has been studied within the context of the theory of Atoms in Molecules and has been compared with the topologies of the electron density, the virial energy density and the Ehrenfest force density. The Coulomb potential density is found to be mainly structurally homeomorphic with the electron density. The Coulomb potential density reproduces the non-nuclear attractor which is observed experimentally in the molecular graph of the electron density of a Mg dimer, thus, for the first time ever providing an alternative and energetic foundation for the existence of this critical point. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  15. Gutzwiller density functional theory for correlated electron systems

    SciTech Connect

    Ho, K. M.; Schmalian, J.; Wang, C. Z.

    2008-02-04

    We develop a density functional theory (DFT) and formalism for correlated electron systems by taking as reference an interacting electron system that has a ground state wave function which exactly obeys the Gutzwiller approximation for all one-particle operators. The solution of the many-electron problem is mapped onto the self-consistent solution of a set of single-particle Schroedinger equations, analogously to standard DFT-local density approximation calculations.

  16. Electron and ion densities in interstellar clouds

    NASA Technical Reports Server (NTRS)

    Glassgold, A. E.; Langer, W. D.

    1974-01-01

    A quantitative theory of ionization in diffuse clouds is developed which includes H(+) charge exchange with O. Dissociative charge exchange of He(+) with H2 plays an important role in the densities of H(+) and He(+). The abundance of HD is also discussed.

  17. Prediction of crystal densities of organic explosives by group additivity

    SciTech Connect

    Stine, J R

    1981-08-01

    The molar volume of crystalline organic compound is assumed to be a linear combination of its constituent volumes. Compounds consisting only of the elements hydrogen, carbon, nitrogen, oxygen, and fluorine are considered. The constituent volumes are taken to be the volumes of atoms in particular bonding environments and are evaluated from a large set of crystallographic data. The predicted density has an expected error of about 3%. These results are applied to a large number of explosives compounds.

  18. Additivity, density fluctuations, and nonequilibrium thermodynamics for active Brownian particles

    NASA Astrophysics Data System (ADS)

    Chakraborti, Subhadip; Mishra, Shradha; Pradhan, Punyabrata

    2016-05-01

    Using an additivity property, we study particle-number fluctuations in a system of interacting self-propelled particles, called active Brownian particles (ABPs), which consists of repulsive disks with random self-propulsion velocities. From a fluctuation-response relation, a direct consequence of additivity, we formulate a thermodynamic theory which captures the previously observed features of nonequilibrium phase transition in the ABPs from a homogeneous fluid phase to an inhomogeneous phase of coexisting gas and liquid. We substantiate the predictions of additivity by analytically calculating the subsystem particle-number distributions in the homogeneous fluid phase away from criticality where analytically obtained distributions are compatible with simulations in the ABPs.

  19. Measurement of electron density using reactance cutoff probe

    NASA Astrophysics Data System (ADS)

    You, K. H.; You, S. J.; Kim, D. W.; Na, B. K.; Seo, B. H.; Kim, J. H.; Seong, D. J.; Chang, H. Y.

    2016-05-01

    This paper proposes a new measurement method of electron density using the reactance spectrum of the plasma in the cutoff probe system instead of the transmission spectrum. The highly accurate reactance spectrum of the plasma-cutoff probe system, as expected from previous circuit simulations [Kim et al., Appl. Phys. Lett. 99, 131502 (2011)], was measured using the full two-port error correction and automatic port extension methods of the network analyzer. The electron density can be obtained from the analysis of the measured reactance spectrum, based on circuit modeling. According to the circuit simulation results, the reactance cutoff probe can measure the electron density more precisely than the previous cutoff probe at low densities or at higher pressure. The obtained results for the electron density are presented and discussed for a wide range of experimental conditions, and this method is compared with previous methods (a cutoff probe using the transmission spectrum and a single Langmuir probe).

  20. Measurement of electron density using reactance cutoff probe

    SciTech Connect

    You, K. H.; Seo, B. H.; Kim, J. H.; Seong, D. J.; You, S. J.; Kim, D. W.; Na, B. K.; Chang, H. Y.

    2016-05-15

    This paper proposes a new measurement method of electron density using the reactance spectrum of the plasma in the cutoff probe system instead of the transmission spectrum. The highly accurate reactance spectrum of the plasma-cutoff probe system, as expected from previous circuit simulations [Kim et al., Appl. Phys. Lett. 99, 131502 (2011)], was measured using the full two-port error correction and automatic port extension methods of the network analyzer. The electron density can be obtained from the analysis of the measured reactance spectrum, based on circuit modeling. According to the circuit simulation results, the reactance cutoff probe can measure the electron density more precisely than the previous cutoff probe at low densities or at higher pressure. The obtained results for the electron density are presented and discussed for a wide range of experimental conditions, and this method is compared with previous methods (a cutoff probe using the transmission spectrum and a single Langmuir probe).

  1. Van der Waals Interactions Between Subsystems with Overlapping Electron Density

    NASA Astrophysics Data System (ADS)

    Pavanello, Michele

    2015-03-01

    The subsystem formulation of DFT known as Frozen Density Embedding (FDE) provides a divide-and-conquer approach to Kohn-Sham DFT for weakly bound systems. We claim that a subsystem formulation of DFT can simplify both the theoretical framework and the computational effort for calculating the electronic structure of condensed phase systems. In addition, the naturally subsystem-like form of molecular aggregates makes subsystem DFT a better descriptor of the underlying physics than regular DFT of the supersystem. As an example, we present a novel van der Waals theory based on subsystem DFT which can treat seamlessly non-overlapping as well as overlapping subsystem electron densities. The theory is amenable to sensible approximations, such as RPA, and offers natural algorithms to fold in post-RPA corrections. Application of the theory to the computation of binding energies of dimers in the S22 set, as well as computation of selected potential energy surfaces is presented. M.P. acknowledges funding by NSF IIA-1404739 and CBET-1438493.

  2. Topological analysis of electron densities from Kohn-Sham and subsystem density functional theory.

    PubMed

    Kiewisch, Karin; Eickerling, Georg; Reiher, Markus; Neugebauer, Johannes

    2008-01-28

    In this study, we compare the electron densities for a set of hydrogen-bonded complexes obtained with either conventional Kohn-Sham density functional theory (DFT) calculations or with the frozen-density embedding (FDE) method, which is a subsystem approach to DFT. For a detailed analysis of the differences between these two methods, we compare the topology of the electron densities obtained from Kohn-Sham DFT and FDE in terms of deformation densities, bond critical points, and the negative Laplacian of the electron density. Different kinetic-energy functionals as needed for the frozen-density embedding method are tested and compared to a purely electrostatic embedding. It is shown that FDE is able to reproduce the characteristics of the density in the bonding region even in systems such as the F-H-F(-) molecule, which contains one of the strongest hydrogen bonds. Basis functions on the frozen system are usually required to accurately reproduce the electron densities of supermolecular calculations. However, it is shown here that it is in general sufficient to provide just a few basis functions in the boundary region between the two subsystems so that the use of the full supermolecular basis set can be avoided. It also turns out that electron-density deformations upon bonding predicted by FDE lack directionality with currently available functionals for the nonadditive kinetic-energy contribution.

  3. Picosecond imaging of low-density plasmas by electron deflectometry.

    PubMed

    Centurion, M; Reckenthaeler, P; Krausz, F; Fill, E E

    2009-02-15

    We have imaged optical-field ionized plasmas with electron densities as low as 10(13) cm(-3) on a picosecond timescale using ultrashort electron pulses. Electric fields generated by the separation of charges are imprinted on a 20 keV probe electron pulse and reveal a cloud of electrons expanding away from a positively charged plasma core. Our method allows for a direct measurement of the electron energy required to escape the plasma and the total charge. Simulations reproduce the main features of the experiment and allow determination of the energy of the electrons.

  4. Electron density errors and density-driven exchange-correlation energy errors in approximate density functional calculations.

    PubMed

    Mezei, Pal Daniel; Csonka, Gabor I; Kallay, Mihaly

    2017-09-11

    Since its formal introduction, density functional theory has achieved many successes on the fields of molecular and solid-state chemistry. According to its central theorems, the ground state of a many-electron system is fully described by its electron density, and the exact functional minimizes the energy at the exact electron density. For many years of density functional development, it was assumed that the improvements in the energy are accompanied by the improvements in the density, and the approximations approach the exact functional. In a recent analysis (Medvedev et al. Science 2017, 355, 49-52.), it has been pointed out for fourteen first row (Be-Ne) atoms and cations with 2, 4, or 10 electrons that the nowadays popular flexible but physically less rigorous approximate density functionals may provide large errors in the calculated electron densities despite the accurate energies. Although far-reaching conclusions have been drawn in this work, the methodology used by the authors may need improvements. Most importantly, their benchmark set was biased towards small atomic cations with compressed, high electron densities. In our paper, we construct a molecular test set with chemically relevant densities and analyze the performance of several density functional approximations including the less-investigated double hybrids. We apply an intensive error measure for the density, its gradient, and its Laplacian and examine how the errors in the density propagate into the semi-local exchange-correlation energy. While we have confirmed the broad conclusions of Medvedev et al., our different way of analyzing the data has led to conclusions that differ in detail. Finally, seeking for a rationale behind the global hybrid or double hybrid methods from the density's point of view, we also analyze the role of the exact exchange and second-order perturbative correlation mixing in PBE-based global hybrid and double hybrid functional forms.

  5. A study of density in electron-cyclotron-resonance plasma

    SciTech Connect

    Uhm, H.S.; Lee, P.H.; Kim, Y.I.; Kim, J.H.; Chang, H.Y.

    1995-08-01

    A theory is developed for the density profile of low-temperature plasmas confined by applied magnetic field and an experiment of the electron-cyclotron-resonance (ECR) plasma is conducted to compare the theoretical prediction and experimental measurements. Due to a large electron mobility along the magnetic field, electrons move quickly out of the system, leaving ions behind and building a space charge potential, which leads to the ambipolar diffusion of ions. In a steady-state condition, the plasma generation by ionization of neutral molecules is in balance with plasma loss due to the diffusion, leading to the electron temperature equation, which is expressed in terms of the plasma size, chamber pressure, and the ionization energy and cross section of neutrals. The power balance condition leads to the plasma density equation, which is also expressed in terms of the electron temperature, the input microwave power and the chamber pressure. It is shown that the plasma density increases, reaches its peak and decreases, as the chamber pressure increases from a small value (0.1 mTorr). These simple expressions of electron temperature and density provide a scaling law of ECR plasma in terms of system parameters. After carrying out an experimental observation, it is concluded that the theoretical predictions of the electron temperature and plasma density agree remarkably well with experimental data. A large-volume plasma generated by the electron-cyclotron-resonance (ECR) mechanism plays a pivotal role in the plasma processing, including thin-film depositions and plasma etching technologies.

  6. Measurement of electron density and temperature in plasmas

    NASA Technical Reports Server (NTRS)

    Billman, K. W.; Rowley, P. D.; Presley, L. L.; Stallcop, J.

    1972-01-01

    Application of two laser wavelengths passing through plasma measures electron density and temperature. Function depends on determining absorption of light at two wavelengths. Nature of reaction is explained and schematic diagram of equipment is included.

  7. Determination of Electronic Temperature and Density in Narrow Line Regions

    NASA Astrophysics Data System (ADS)

    Quintero, S.; Higuera-G., Mario A.

    2017-07-01

    We use observations of forbidden emission lines: [SII], [OII], N[II] and [OIII] from a sample of objects located in the Sloan Digital Sky Survey (SDSS) and determined the electronic temperature and densities.

  8. Electron response in van der Waals density functionals

    NASA Astrophysics Data System (ADS)

    Hyldgaard, Per

    2013-03-01

    There is significant interest in density functional theory (DFT) of dispersive or van der Waals (vdW) interactions and in DFT studies of sparse systems where vdW forces contribute to the cohesion and behavior. The Rutgers-Chalmers van der Waals density functional (vdW-DF) method [PRL 92, 246401 (2004); PRB 76, 125112 (2007)] is a nonempirical approach to calculate vdW bonding and for DFT characterizations of sparse matter. The vdW-DF framework is defined by a single exchange-correlation density functional that rests on a plasmon-type description for both semilocal components and for a parameter-free evaluation of nonlocal correlation. My talk summarizes a set of vdW-DF studies that seeks to map and analyze details in the vdW-DF electron-response nature. The purpose is in part to extract consequences that can facilitate an experiment-theory comparison that goes beyond binding geometries and energies. The aim is also to seek implications that can help develop the vdW-DF framework. I present an analysis of the relative importance of morphology, screening (image-plane formation), and collective effects in the vdW-DF description of molecular systems. In addition, I compare vdW-DF results with Cu(111) experiments that tests the electron-response behavior in terms of adsorption-induced band shifts, the form of the overall light-molecule physisorption potential, and the corrugation in the kinetic-energy repulsion of molecules at surfaces. Overall, the vdW-DF studies suggest the importance of benchmarking vdW methods across different length scales and by exploring the variation that arise when related structures have a different balance between exchange repulsion and vdW attraction.

  9. Exact high-density limit of correlation potential for two-electron density

    NASA Astrophysics Data System (ADS)

    Ivanov, Stanislav; Burke, Kieron; Levy, Mel

    1999-06-01

    Present approximations to the correlation energy, Ec[n], in density functional theory yield poor results for the corresponding correlation potential, vc([n];r)=δEc[n]δ/n(r). Improvements in vc([n];r), are especially needed for high-quality Kohn-Sham calculations. For a two-electron density, the exact form of vc([n];r) in its high-density limit is derived in terms of the density of the system and the first-order wave function from the adiabatic perturbation theory. Our expression leads to a formula for the difference 2Ec[n]-∫vc([n];r)n(r)dr, valid for any two-electron density in the high-density limit, thus generalizes previous results. Numerical results (both exact and approximate) are presented for both Ec[n] and ∫vc([n];r)n(r)dr in this limit for two electrons in a harmonic oscillator external potential (Hooke's atom).

  10. Waves in relativistic electron beam in low-density plasma

    NASA Astrophysics Data System (ADS)

    Sheinman, I.; Sheinman (Chernenco, J.

    2016-11-01

    Waves in electron beam in low-density plasma are analyzed. The analysis is based on complete electrodynamics consideration. Dependencies of dispersion laws from system parameters are investigated. It is shown that when relativistic electron beam is passed through low-density plasma surface waves of two types may exist. The first type is a high frequency wave on a boundary between the beam and neutralization area and the second type wave is on the boundary between neutralization area and stationary plasma.

  11. New link between conceptual density functional theory and electron delocalization.

    PubMed

    Matito, Eduard; Putz, Mihai V

    2011-11-17

    In this paper we give a new definition of the softness kernel based on the exchange-correlation density. This new kernel is shown to correspond to the change of electron fluctuation upon external perturbation, thus helping to bridge the gap between conceptual density functional theory and some tools describing electron localization in molecules. With the aid of a few computational calculations on diatomics we illustrate the performance of this new computational tool.

  12. High Current Density Scandate Cathodes for Future Vacuum Electronics Applications

    DTIC Science & Technology

    2008-05-30

    braze alloy . The structure was fired in a furnace at 16500 C for 15 minutes. The resultant structure was sectioned to determine if the scandium flowed...Density Cathodes for Future Vacuum Electronics Applications FA9550-07-C-0063 7. PERFORMING ORGANIZATION NAME(S) AND ADDRESS(ES) 8. PERFORMING ORGANIZATION...Current Density Scandate Cathodes for Future Vacuum Electronics Applications USAF/AFRL Contract Number FA9550-07-C-0063 Final Report Calabazas Creek

  13. Electron Density Measurements on Radiographic Diodes

    DTIC Science & Technology

    2007-06-01

    cosine of the phase shift measured by the interferometer leave the circular Lissajous figure as the scene beam is likely refracted during the SMP...from the interferometer unusable. Additional insight into this behavior is gained by looking at the Lissajous figure obtained by plotting the raw...photodiode voltages against each other. Figure 4 shows the Lissajous figure plotted in blue on a long time scale, before, during, and after the SMP

  14. Electron density diagnostics in the 10-100 A interval for a solar flare

    NASA Technical Reports Server (NTRS)

    Brown, W. A.; Bruner, M. E.; Acton, L. W.; Mason, H. E.

    1986-01-01

    Electron density measurements from spectral-line diagnostics are reported for a solar flare on July 13, 1982, 1627 UT. The spectrogram, covering the 10-95 A interval, contained usable lines of helium-like ions C V, N VI, O VII, and Ne IX which are formed over the temperature interval 0.7-3.5 x 10 to the 6th K. In addition, spectral-line ratios of Si IX, Fe XIV, and Ca XV were compared with new theoretical estimates of their electron density sensitivity to obtain additional electron density diagnostics. An electron density of 3 x 10 to the 10th/cu cm was obtained. The comparison of these results from helium-like and other ions gives confidence in the utility of these tools for solar coronal analysis and will lead to a fuller understanding of the phenomena observed in this flare.

  15. Electron density fingerprints (EDprints): virtual screening using assembled information of electron density.

    PubMed

    Kooistra, Albert J; Binsl, Thomas W; van Beek, Johannes H G M; de Graaf, Chris; Heringa, Jaap

    2010-10-25

    We have designed a method to encode properties related to the electron densities of molecules (calculated (1)H and (13)C NMR shifts and atomic partial charges) in molecular fingerprints (EDprints). EDprints was evaluated in terms of their retrospective virtual screening accuracy against the Directory of Useful Decoys (DUD) and compared to the established ligand-based similarity search methods MOLPRINT 2D and FCFP-4. Although there are no significant differences in the overall virtual screening accuracies of the three methods, specific examples highlight interesting differences between the new EDprints fingerprint method and the atom-centered circular fingerprint methods of MOLPRINT 2D and FCFP-4. On one hand, EDprints similarity searches can be biased by the molecular protonation state, especially when reference ligands contain multiple ionizable groups. On the other hand, EDprints models are more robust toward subtle rearrangements of chemical groups and more suitable for screening against reference molecules with fused ring systems than MOLPRINT 2D and FCFP-4. EDprints is furthermore the fastest method under investigation in comparing fingerprints (average 56-233-fold increase in speed), which makes it highly suitable for all-against-all similarity searches and for repetitive virtual screening against large chemical databases of millions of compounds.

  16. Powder bed charging during electron-beam additive manufacturing

    SciTech Connect

    Cordero, Zachary C.; Meyer, Harry M.; Nandwana, Peeyush; Dehoff, Ryan R.

    2016-11-18

    Electrons injected into the build envelope during powder-bed electron-beam additive manufacturing can accumulate on the irradiated particles and cause them to repel each other. Furthermore, these electrostatic forces can grow so large that they drive the particles out of the build envelope in a process known as smoking. Here, a model of powder bed charging is formulated and used to develop criteria that predict the conditions under which the powder bed will smoke. These criteria suggest dependences on particle size, pre-heat temperature, and process parameters that align closely with those observed in practice.

  17. A tale of two electrons: Correlation at high density

    NASA Astrophysics Data System (ADS)

    Loos, Pierre-François; Gill, Peter M. W.

    2010-11-01

    We review our recent progress in the determination of the high-density correlation energy E in two-electron systems. Several two-electron systems are considered, such as the well known helium-like ions (helium), and the Hooke's law atom (hookium). We also present results regarding two electrons on the surface of a sphere (spherium), and two electrons trapped in a spherical box (ballium). We also show that, in the large-dimension limit, the high-density correlation energy of two opposite-spin electrons interacting via a Coulomb potential is given by E˜-1/(8D2) for any radial external potential V(r), where D is the dimensionality of the space. This result explains the similarity of E in the previous two-electron systems for D=3.

  18. One-electron density matrices and energy gradients in second-order electron propagator theory

    NASA Astrophysics Data System (ADS)

    Cioslowski, Jerzy; Ortiz, J. V.

    1992-06-01

    A formalism for evaluation of the effective first-order density matrices associated with second-order electron propagator theory is described. Computer implementation of this formalism affords first-order density properties, such as dipole moments, and energy gradients. Given an initial state with N electrons, this approach enables geometry optimization of the ground and excited electronic states of species with N-1 and N+1 electrons. The performance of the present method is assessed with test calculations on the formyl radical.

  19. Electron cyclotron emission as a density fluctuation diagnostic

    SciTech Connect

    Lynn, A.G.; Phillips, P.E.; Hubbard, A.

    2004-10-01

    A new technique for measuring density fluctuations using a high-resolution heterodyne electron cyclotron emission (ECE) radiometer has been developed. Although ECE radiometry is typically used for electron temperature measurements, the unique viewing geometry of this system's quasioptical antenna has been found to make the detected emission extremely sensitive to refractive effects under certain conditions. This sensitivity gives the diagnostic the ability to measure very low levels of density fluctuations in the core of Alcator C-Mod tokamak. The refractive effects have been modeled using ray-tracing methods, allowing estimates of the density fluctuation magnitude and spatial localization.

  20. Effect of trapped electrons on soliton propagation in a plasma having a density gradient

    SciTech Connect

    Aziz, Farah; Stroth, Ulrich

    2009-03-15

    A Korteweg-deVries equation with an additional term due to the density gradient is obtained using reductive perturbation technique in an unmagnetized plasma having a density gradient, finite temperature ions, and two-temperature nonisothermal (trapped) electrons. This equation is solved to get the solitary wave solution using sine-cosine method. The phase velocity, soliton amplitude, and width are examined under the effect of electron and ion temperatures and their concentrations. The effect of ion (electron) temperature is found to be more significant in the presence of larger (smaller) number of trapped electrons in the plasma.

  1. Entangled electron and nuclear spin states in 15N@C60: Density matrix tomography

    NASA Astrophysics Data System (ADS)

    Scherer, Werner; Mehring, Michael

    2008-02-01

    Procedures of the preparation and detection of entangled electron-nuclear spin states in N15@C60 by combining electron spin resonance and electron nuclear double resonance pulse techniques are presented. A quantitative evaluation of the complete density matrix is obtained by a special density matrix tomography. All four Bell states of a two qubit subsystem were analyzed and experimental decoherence times are presented. In addition, we estimate a quantum critical temperature of Tq=7.76K for this system at an electron spin resonance frequency of 95GHz.

  2. Quasi-equilibrium electron density along a magnetic field line

    SciTech Connect

    Mao, Hann-Shin; Wirz, Richard

    2012-11-26

    A methodology is developed to determine the density of high-energy electrons along a magnetic field line for a low-{beta} plasma. This method avoids the expense and statistical noise of traditional particle tracking techniques commonly used for high-energy electrons in bombardment plasma generators. By preserving the magnetic mirror and assuming a mixing timescale, typically the elastic collision frequency with neutrals, a quasi-equilibrium electron distribution can be calculated. Following the transient decay, the analysis shows that both the normalized density and the reduction fraction due to collision converge to a single quasi-equilibrium solution.

  3. Evidence of Electron Density Enhancements at Enceladus' Apoapsis

    NASA Astrophysics Data System (ADS)

    Persoon, A. M.; Gurnett, D. A.; Kurth, W. S.; Hospodarsky, G. B.; Groene, J. B.

    2015-12-01

    Enceladus' plumes are the dominant source of plasma in Saturn's magnetosphere. Icy particles and water vapor are vented into the inner magnetosphere through fissures in Enceladus' southern polar region. These fissures are subjected to tidal stresses that vary as Enceladus moves in a slightly eccentric orbit around Saturn. Plume activity is greatest when tidal stress is minimal. This occurs when Enceladus is farthest away from Saturn in its orbit (the Enceladus apoapsis). This study will show temporal variations in the electron density distribution that correlate with the position of Enceladus in its orbit around Saturn, with strong density enhancements in the vicinity of Enceladus when the moon is near apoapsis. Equatorial electron density measurements derived from the upper hybrid resonance frequency from the Cassini Radio and Plasma Wave Science (RPWS) experiment are used to illustrate these electron density enhancements.

  4. Stabilization of electron-scale turbulence by electron density gradient in national spherical torus experiment

    SciTech Connect

    Ruiz Ruiz, J.; White, A. E.; Ren, Y.; Guttenfelder, W.; Kaye, S. M.; Leblanc, B. P.; Mazzucato, E.; Lee, K. C.; Domier, C. W.; Smith, D. R.; Yuh, H.

    2015-12-15

    Theory and experiments have shown that electron temperature gradient (ETG) turbulence on the electron gyro-scale, k{sub ⊥}ρ{sub e} ≲ 1, can be responsible for anomalous electron thermal transport in NSTX. Electron scale (high-k) turbulence is diagnosed in NSTX with a high-k microwave scattering system [D. R. Smith et al., Rev. Sci. Instrum. 79, 123501 (2008)]. Here we report on stabilization effects of the electron density gradient on electron-scale density fluctuations in a set of neutral beam injection heated H-mode plasmas. We found that the absence of high-k density fluctuations from measurements is correlated with large equilibrium density gradient, which is shown to be consistent with linear stabilization of ETG modes due to the density gradient using the analytical ETG linear threshold in F. Jenko et al. [Phys. Plasmas 8, 4096 (2001)] and linear gyrokinetic simulations with GS2 [M. Kotschenreuther et al., Comput. Phys. Commun. 88, 128 (1995)]. We also found that the observed power of electron-scale turbulence (when it exists) is anti-correlated with the equilibrium density gradient, suggesting density gradient as a nonlinear stabilizing mechanism. Higher density gradients give rise to lower values of the plasma frame frequency, calculated based on the Doppler shift of the measured density fluctuations. Linear gyrokinetic simulations show that higher values of the electron density gradient reduce the value of the real frequency, in agreement with experimental observation. Nonlinear electron-scale gyrokinetic simulations show that high electron density gradient reduces electron heat flux and stiffness, and increases the ETG nonlinear threshold, consistent with experimental observations.

  5. Electron correlation in solids via density embedding theory

    SciTech Connect

    Bulik, Ireneusz W.; Chen, Weibing; Scuseria, Gustavo E.

    2014-08-07

    Density matrix embedding theory [G. Knizia and G. K.-L. Chan, Phys. Rev. Lett. 109, 186404 (2012)] and density embedding theory [I. W. Bulik, G. E. Scuseria, and J. Dukelsky, Phys. Rev. B 89, 035140 (2014)] have recently been introduced for model lattice Hamiltonians and molecular systems. In the present work, the formalism is extended to the ab initio description of infinite systems. An appropriate definition of the impurity Hamiltonian for such systems is presented and demonstrated in cases of 1, 2, and 3 dimensions, using coupled cluster theory as the impurity solver. Additionally, we discuss the challenges related to disentanglement of fragment and bath states. The current approach yields results comparable to coupled cluster calculations of infinite systems even when using a single unit cell as the fragment. The theory is formulated in the basis of Wannier functions but it does not require separate localization of unoccupied bands. The embedding scheme presented here is a promising way of employing highly accurate electronic structure methods for extended systems at a fraction of their original computational cost.

  6. Electron correlation in solids via density embedding theory.

    PubMed

    Bulik, Ireneusz W; Chen, Weibing; Scuseria, Gustavo E

    2014-08-07

    Density matrix embedding theory [G. Knizia and G. K.-L. Chan, Phys. Rev. Lett. 109, 186404 (2012)] and density embedding theory [I. W. Bulik, G. E. Scuseria, and J. Dukelsky, Phys. Rev. B 89, 035140 (2014)] have recently been introduced for model lattice Hamiltonians and molecular systems. In the present work, the formalism is extended to the ab initio description of infinite systems. An appropriate definition of the impurity Hamiltonian for such systems is presented and demonstrated in cases of 1, 2, and 3 dimensions, using coupled cluster theory as the impurity solver. Additionally, we discuss the challenges related to disentanglement of fragment and bath states. The current approach yields results comparable to coupled cluster calculations of infinite systems even when using a single unit cell as the fragment. The theory is formulated in the basis of Wannier functions but it does not require separate localization of unoccupied bands. The embedding scheme presented here is a promising way of employing highly accurate electronic structure methods for extended systems at a fraction of their original computational cost.

  7. Electron density and gas density measurements in a millimeter-wave discharge

    SciTech Connect

    Schaub, S. C. Hummelt, J. S.; Guss, W. C.; Shapiro, M. A.; Temkin, R. J.

    2016-08-15

    Electron density and neutral gas density have been measured in a non-equilibrium air breakdown plasma using optical emission spectroscopy and two-dimensional laser interferometry, respectively. A plasma was created with a focused high frequency microwave beam in air. Experiments were run with 110 GHz and 124.5 GHz microwaves at powers up to 1.2 MW. Microwave pulses were 3 μs long at 110 GHz and 2.2 μs long at 124.5 GHz. Electron density was measured over a pressure range of 25 to 700 Torr as the input microwave power was varied. Electron density was found to be close to the critical density, where the collisional plasma frequency is equal to the microwave frequency, over the pressure range studied and to vary weakly with input power. Neutral gas density was measured over a pressure range from 150 to 750 Torr at power levels high above the threshold for initiating breakdown. The two-dimensional structure of the neutral gas density was resolved. Intense, localized heating was found to occur hundreds of nanoseconds after visible plasma formed. This heating led to neutral gas density reductions of greater than 80% where peak plasma densities occurred. Spatial structure and temporal dynamics of gas heating at atmospheric pressure were found to agree well with published numerical simulations.

  8. Density-shear instability in electron magneto-hydrodynamics

    SciTech Connect

    Wood, T. S. Hollerbach, R.; Lyutikov, M.

    2014-05-15

    We discuss a novel instability in inertia-less electron magneto-hydrodynamics (EMHD), which arises from a combination of electron velocity shear and electron density gradients. The unstable modes have a lengthscale longer than the transverse density scale, and a growth-rate of the order of the inverse Hall timescale. We suggest that this density-shear instability may be of importance in magnetic reconnection regions on scales smaller than the ion skin depth, and in neutron star crusts. We demonstrate that the so-called Hall drift instability, previously argued to be relevant in neutron star crusts, is a resistive tearing instability rather than an instability of the Hall term itself. We argue that the density-shear instability is of greater significance in neutron stars than the tearing instability, because it generally has a faster growth-rate and is less sensitive to geometry and boundary conditions. We prove that, for uniform electron density, EMHD is “at least as stable” as regular, incompressible MHD, in the sense that any field configuration that is stable in MHD is also stable in EMHD. We present a connection between the density-shear instability in EMHD and the magneto-buoyancy instability in anelastic MHD.

  9. Measuring ionospheric electron density using the plasma frequency probe

    SciTech Connect

    Jensen, M.D.; Baker, K.D. )

    1992-02-01

    During the past decade, the plasma frequency probe (PFP) has evolved into an accurate, proven method of measuring electron density in the ionosphere above about 90 km. The instrument uses an electrically short antenna mounted on a sounding rocket that is immersed in the plasma and notes the frequency where the antenna impedance is large and nonreactive. This frequency is closely related to the plasma frequency, which is a direct function of free electron concentration. The probe uses phase-locked loop technology to follow a changing electron density. Several sections of the plasma frequency probe circuitry are unique, especially the voltage-controlled oscillator that uses both an electronically tuned capacitor and inductor to give the wide tuning range needed for electron density measurements. The results from two recent sounding rocket flights (Thunderstorm II and CRIT II) under vastly different plasma conditions demonstrate the capabilities of the PFP and show the importance of in situ electron density measurements of understanding plasma processes. 9 refs.

  10. Long-term observations of D-region electron densities at high and middle northern latitudes

    NASA Astrophysics Data System (ADS)

    Singer, Werner; Keuer, Dieter; Friedrich, Martin; Strelnikova, Irina; Latteck, Ralph

    D-region electron densities are estimated using Doppler radars at frequencies around 3 MHz in Andenes, Norway (69.3°N, 16.0°E) since summer 2003 and in Juliusruh, Germany (54.6°N, 13.4°E) since summer 2006. Both experiments utilize partial reflections of ordinary and extraordinary component waves from scatterers in the altitude range 50-90 km to estimate electron number densities from differential absorption (DAE) and differential phase (DPE) measurements. Height profiles of electron density are obtained between about 55 km and 90 km with sampling times of 2-3 minutes and height resolution of 1.5 km at Andenes and 3 km at Juliusruh. The electron density profiles independently derived from DAE and DPE measurements agree remarkably well. The radar results are compared with co-located simultaneously measured electron densities by rocket-borne radio wave propagation experiments (differential absorption, Faraday rotation, and impedance probe) in Andenes with good agreement between insitu and ground-based measurements. The diurnal and seasonal variability of electron densities as observed at high and mid-latitudes under quiet ionospheric conditions is presented and compared to the corresponding electron density profiles of the International Reference Ionosphere. The response of D-region ionization to regular solar activity variation as well as to solar activity storms and geomagnetic disturbances has been studied at polar latitudes. Characteristic electron density variations are found during downwelling events of nitric oxide due to strong vertical coupling during stratospheric warming events. In addition, we discuss the inter-relation between D-region electron densities from radar observations, riometer absorption, and the empirical model IMAZ at different levels of solar activity and during particle precipitation events.

  11. Electron density and parallel electric field distribution of the auroral density cavity

    NASA Astrophysics Data System (ADS)

    Alm, L.; Marklund, G. T.; Karlsson, T.

    2015-11-01

    We present an event study in which Cluster satellites C1 and C3 encounters the flux tube of a stable auroral arc in the premidnight sector. C1 observes the midcavity, while C3 enters the flux tube of the auroral arc at an altitude which is below the acceleration region, before crossing into the top half of the acceleration region. This allows us to study the boundary between the ionosphere and the density cavity, as well as large portion of the upper density cavity. The position of the two satellites, in relation to the acceleration region, is described using a pseudo altitude derived from the distribution of the parallel potential drop above and below the satellites. The electron density exhibits an anticorrelation with the pseudo altitude, indicating that the lowest electron densities are found near the top of the density cavity. Over the entire pseudo altitude range, the electron density distribution is similar to a planar sheath, formed out of a plasma sheet dominated electron distribution, in response to the parallel electric field of the acceleration region. This indicates that the parallel electric fields on the ionosphere-cavity boundary, as well as the midcavity parallel electric fields, are part of one unified structure rather than two discrete entities. The results highlight the strong connection between the auroral density cavity and auroral acceleration as well as the necessity of studying them in a unified fashion.

  12. Electron temperature and density relationships in coronal mass ejections

    NASA Technical Reports Server (NTRS)

    Hammond, C. M.; Phillips, J. L.; Balogh, A.

    1995-01-01

    We examine 10 coronal mass ejections from the in-ecliptic portion of the Ulysses mission. Five of these CMEs are magnetic clouds. In each case we observe an inverse relationship between electron temperature and density. For protons this relationship is less clear. Earlier work has shown a similar inverse relationship for electrons inside magnetic clouds and interpreted it to mean that the polytropic index governing the expansion of electrons is less than unity. This requires electrons to be heated as the CME expands. We offer an alternative view that the inverse relationship between electron temperature and density is caused by more rapid cooling of the denser plasma through collisions. More rapid cooling of denser plasma has been shown for 1 AU measurements in the solar wind. As evidence for this hypothesis we show that the denser plasma inside the CMEs tends to be more isotropic indicating a different history of collisions for the dense plasma. Thus, although the electron temperature inside CMEs consistently shows an inverse correlation with the density, this is not an indication of the polytropic index of the plasma but instead supports the idea of collisional modification of the electrons during their transit from the sun.

  13. Electron density in the cusp ionosphere: increase or depletion?

    NASA Astrophysics Data System (ADS)

    Pitout, Frédéric; Blelly, Pierre-Louis

    2003-07-01

    Radar observations indicate that the electron density may decrease significantly in the cusp ionosphere, despite the intense precipitation of low-energy electrons originating from the magnetosheath. We have modeled the ionospheric footprints of the cusp and mantle regions, and we focus on the two rival processes acting pro and con the electron density build-up in those regions of intense precipitation, which also happened to be regions of strong electric field. On one hand, the precipitation provides the ionosphere with electrons; on the other hand, the strong electric field heats up the ion population, stimulating the production of NO+. A fraction of the NO+ produced then feeds the electron-consuming chemical reaction NO+ + e- -> NO in the F1-region, although this reaction is not favored in presence of a high electron temperature. We investigate various combinations of E-field and initial electron densities. Our simulations clearly show that the overall result depends on the origin of the flux tube, which eventually opens in the cusp region. We interpret our results in terms of seasonal effects, IMF-By and MLT dependence.

  14. Electron temperature and density relationships in coronal mass ejections

    NASA Technical Reports Server (NTRS)

    Hammond, C. M.; Phillips, J. L.; Balogh, A.

    1995-01-01

    We examine 10 coronal mass ejections from the in-ecliptic portion of the Ulysses mission. Five of these CMEs are magnetic clouds. In each case we observe an inverse relationship between electron temperature and density. For protons this relationship is less clear. Earlier work has shown a similar inverse relationship for electrons inside magnetic clouds and interpreted it to mean that the polytropic index governing the expansion of electrons is less than unity. This requires electrons to be heated as the CME expands. We offer an alternative view that the inverse relationship between electron temperature and density is caused by more rapid cooling of the denser plasma through collisions. More rapid cooling of denser plasma has been shown for 1 AU measurements in the solar wind. As evidence for this hypothesis we show that the denser plasma inside the CMEs tends to be more isotropic indicating a different history of collisions for the dense plasma. Thus, although the electron temperature inside CMEs consistently shows an inverse correlation with the density, this is not an indication of the polytropic index of the plasma but instead supports the idea of collisional modification of the electrons during their transit from the sun.

  15. Rocket radio measurement of electron density in the nighttime ionosphere

    NASA Technical Reports Server (NTRS)

    Gilchrist, B. E.; Smith, L. G.

    1979-01-01

    One experimental technique based on the Faraday rotation effect of radio waves is presented for measuring electron density in the nighttime ionosphere at midlatitudes. High frequency linearly-polarized radio signals were transmitted to a linearly-polarized receiving system located in a spinning rocket moving through the ionosphere. Faraday rotation was observed in the reference plane of the rocket as a change in frequency of the detected receiver output. The frequency change was measured and the information was used to obtain electron density data. System performance was evaluated and some sources of error were identified. The data obtained was useful in calibrating a Langmuir probe experiment for electron density values of 100/cu cm and greater. Data from two rocket flights are presented to illustrate the experiment.

  16. Rocket measurements of electron density irregularities during MAC/SINE

    NASA Technical Reports Server (NTRS)

    Ulwick, J. C.

    1989-01-01

    Four Super Arcas rockets were launched at the Andoya Rocket Range, Norway, as part of the MAC/SINE campaign to measure electron density irregularities with high spatial resolution in the cold summer polar mesosphere. They were launched as part of two salvos: the turbulent/gravity wave salvo (3 rockets) and the EISCAT/SOUSY radar salvo (one rocket). In both salvos meteorological rockets, measuring temperature and winds, were also launched and the SOUSY radar, located near the launch site, measured mesospheric turbulence. Electron density irregularities and strong gradients were measured by the rocket probes in the region of most intense backscatter observed by the radar. The electron density profiles (8 to 4 on ascent and 4 on descent) show very different characteristics in the peak scattering region and show marked spatial and temporal variability. These data are intercompared and discussed.

  17. Electron density measurements in the ITER fusion plasma

    NASA Astrophysics Data System (ADS)

    Watts, Christopher; Udintsev, Victor; Andrew, Philip; Vayakis, George; Van Zeeland, Michael; Brower, David; Feder, Russell; Mukhin, Eugene; Tolstyakov, Sergey

    2013-08-01

    The operation of ITER requires high-quality estimates of the plasma electron density over multiple regions in the plasma for plasma evaluation, plasma control and machine protection purposes. Although the density regimes of ITER are not very different from those of existing tokamaks (1018-1021 m-3), the severe conditions of the fusion plasma environment present particular challenges to implementing these density diagnostics. In this paper we present an overview of the array of ITER electron density diagnostics designed to measure over the entire ITER domain: plasma core, pedestal, edge, scrape-off layer and divertor. It will focus on the challenges faced in making these measurements, and the technical solutions of the current designs.

  18. Electroweak charge density distributions with parity-violating electron scattering

    NASA Astrophysics Data System (ADS)

    Liu, Jian; Ren, Zhongzhou; Xu, Chang; Xu, Renli

    2013-11-01

    Parity-violating electron scattering (PVS) is an accurate and model-independent way to investigate the weak-charge density distributions of nuclei. In this paper, we study parity-violating electron scattering with the Helm model where the effects of spin-orbit currents on nuclear weak skins are taken into account. The conditions of two PVS measurements to constrain the surface thickness σW of Helm weak-charge densities are investigated. According to the plane wave Born approximation, Apv is expressed in terms of parameters of the corresponding Helm charge and weak-charge densities. After fitting the results of Apv calculated from the phase-shift analysis method where the Coulomb distortion effects are incorporated, an empirical formula in terms of Helm model parameters for calculating Apv is obtained. If two PVS measurements with different scattering angles are carried out, the modeled weak-charge density distributions with two parameters could be extracted from this empirical formula.

  19. Electron densities and the excitation of CN in molecular clouds

    NASA Technical Reports Server (NTRS)

    Black, John H.; Van Dishoeck, Ewine F.

    1991-01-01

    In molecular clouds of modest density and relatively high fractional ionization, the rotational excitation of CN is controlled by a competition among electron impact, neutral impact and the interaction with the cosmic background radiation. The degree of excitation can be measured through optical absorption lines and millimeter-wave emission lines. The available, accurate data on CN in diffuse and translucent molecular clouds are assembled and used to determine electron densities. The derived values, n(e) = roughly 0.02 - 0.5/cu cm, imply modest neutral densities, which generally agree well with determinations by other techniques. The absorption- and emission-line measurements of CN both exclude densities higher than n(H2) = roughly 10 exp 3.5/cu cm on scales varying from 0.001 to 60 arcsec in these clouds.

  20. A novel three-dimensional variant of the watershed transform for segmentation of electron density maps.

    PubMed

    Volkmann, Niels

    2002-01-01

    Electron density maps at moderate resolution are often difficult to interpret due to the lack of recognizable features. This is especially true for electron tomograms that suffer in addition to the resolution limitation from low signal-to-noise ratios. Reliable segmentation of such maps into smaller, manageable units can greatly facilitate interpretation. Here, we present a segmentation approach targeting three-dimensional electron density maps derived by electron microscopy. The approach consists of a novel three-dimensional variant of the immersion-based watershed algorithm. We tested the algorithm on calculated data and applied it to a wide variety of electron density maps ranging from reconstructions of single macromolecules to tomograms of subcellular structures. The results indicate that the algorithm is reliable, efficient, accurate, and applicable to a wide variety of biological problems.

  1. Electron density and plasma dynamics of a colliding plasma experiment

    SciTech Connect

    Wiechula, J. Schönlein, A.; Iberler, M.; Hock, C.; Manegold, T.; Bohlender, B.; Jacoby, J.

    2016-07-15

    We present experimental results of two head-on colliding plasma sheaths accelerated by pulsed-power-driven coaxial plasma accelerators. The measurements have been performed in a small vacuum chamber with a neutral-gas prefill of ArH{sub 2} at gas pressures between 17 Pa and 400 Pa and load voltages between 4 kV and 9 kV. As the plasma sheaths collide, the electron density is significantly increased. The electron density reaches maximum values of ≈8 ⋅ 10{sup 15} cm{sup −3} for a single accelerated plasma and a maximum value of ≈2.6 ⋅ 10{sup 16} cm{sup −3} for the plasma collision. Overall a raise of the plasma density by a factor of 1.3 to 3.8 has been achieved. A scaling behavior has been derived from the values of the electron density which shows a disproportionately high increase of the electron density of the collisional case for higher applied voltages in comparison to a single accelerated plasma. Sequences of the plasma collision have been taken, using a fast framing camera to study the plasma dynamics. These sequences indicate a maximum collision velocity of 34 km/s.

  2. Topology of molecular electron density and electrostatic potential with DAMQT

    NASA Astrophysics Data System (ADS)

    López, Rafael; Rico, Jaime Fernández; Ramírez, Guillermo; Ema, Ignacio; Zorrilla, David; Kumar, Anmol; Yeole, Sachin D.; Gadre, Shridhar R.

    2017-05-01

    A new version of the DAMQT package incorporating topological analysis of the molecular electron density and electrostatic potential is reported. Evaluation of electron density, electrostatic potential and their first and second derivatives within DAM partition-expansion is discussed, and the pertaining equations are reported. An efficient algorithm for the search of critical points, gradient paths, atomic basins and Hessian analysis is implemented using these equations. 3D viewer built in DAMQT incorporates new facilities for visualization of these properties, as well as for distance and angle measurements. Full control of projection mode is also added to the viewer in DAMQT. Some examples are provided showing the excellent performance for large molecular systems.

  3. Optical Emission Spectroscopic Techniques for Low Electron Density Diagnostics

    SciTech Connect

    Ivkovic, M.

    2006-12-01

    This paper comprises an analysis of optical emission spectroscopy (OES) techniques and results of their application for diagnostics of middle and low electron densities in low temperature plasmas. The following OES diagnostic techniques based on: 1) line merging along spectral line series, 2) use of line shapes and Stark halfwidths of hydrogen Balmer lines, 3) line shape of helium lines with forbidden components and 4) use of molecular nitrogen bandhead intensities are studied, discussed, tested and applied and in some cases ugraded for electron density measurements. The overall comparative analysis is performed also.

  4. Electron temperature and density measurements of laser induced germanium plasma

    SciTech Connect

    Shakeel, Hira; Arshad, Saboohi; Haq, S. U. Nadeem, Ali

    2016-05-15

    The germanium plasma produced by the fundamental harmonics (1064 nm) of Nd:YAG laser in single and double pulse configurations have been studied spectroscopically. The plasma is characterized by measuring the electron temperature using the Boltzmann plot method for neutral and ionized species and electron number density as a function of laser irradiance, ambient pressure, and distance from the target surface. It is observed that the plasma parameters have an increasing trend with laser irradiance (9–33 GW/cm{sup 2}) and with ambient pressure (8–250 mbar). However, a decreasing trend is observed along the plume length up to 4.5 mm. The electron temperature and electron number density are also determined using a double pulse configuration, and their behavior at fixed energy ratio and different interpulse delays is discussed.

  5. Mobility of electrons in supercritical krypton: Role of density fluctuations

    SciTech Connect

    Nishikawa, Masaru; Holroyd, Richard A.; Preses, Jack M.

    2007-07-07

    Excess electrons were generated in supercritical krypton by means of pulsed x-ray irradiation, and the electron transport phenomena were studied. Electron signals immediately after a 30 ps pulse showed a distinctive feature characteristic of the presence of the Ramsauer-Townsend minimum in the momentum transfer cross section. The dependence of the drift velocity v{sub D} on field strength was found to be concave upward in the low field region and then to go through a maximum with increasing field strength, which is also typical of the presence of a minimum in the scattering cross section at an intermediate field strength. A minimum in the electron mobility was observed at about one-half the critical density. The acoustical phonon scattering model, which successfully explained the mobility change in this density region in supercritical xenon, was again found to account for the mobility in supercritical krypton.

  6. Ionospheric topside models compared with experimental electron density profiles

    NASA Astrophysics Data System (ADS)

    Coisson, P.; Radicella, S. M.

    2003-04-01

    In the last couple of years an increasing number of topside electron density profiles has been made available through the Internet to the scientific community. This kind of data is particularly important for ionospheric modeling purposes, since the experimental information on the electron density above the ionosphere maximum of ionization is very scarce. The present work analyses the behavior of the NeQuick and IRI models, adopted by the ITU-R recommendation P.531-5, with respect to the topside electron density profiles available in the databases of ISIS2, IK19 and Cosmos-1809 satellites. Experimental total electron content (TEC) from the F2 peak up to satellite height and electron densities at fixed heights above that peak have been compared with values computed with the models. A wide range of different conditions (solar activity, local time, geographical and geomagnetic position has been considered). The analysis done allows to point out the behavior of the models and the improvement needed to allow a better reproduction of the experimental results.

  7. Statistical quality indicators for electron-density maps

    SciTech Connect

    Tickle, Ian J.

    2012-04-01

    A likelihood-based metric for scoring the local agreement of a structure model with the observed electron density is described. The commonly used validation metrics for the local agreement of a structure model with the observed electron density, namely the real-space R (RSR) and the real-space correlation coefficient (RSCC), are reviewed. It is argued that the primary goal of all validation techniques is to verify the accuracy of the model, since precision is an inherent property of the crystal and the data. It is demonstrated that the principal weakness of both of the above metrics is their inability to distinguish the accuracy of the model from its precision. Furthermore, neither of these metrics in their usual implementation indicate the statistical significance of the result. The statistical properties of electron-density maps are reviewed and an improved alternative likelihood-based metric is suggested. This leads naturally to a χ{sup 2} significance test of the difference density using the real-space difference density Z score (RSZD). This is a metric purely of the local model accuracy, as required for effective model validation and structure optimization by practising crystallographers prior to submission of a structure model to the PDB. A new real-space observed density Z score (RSZO) is also proposed; this is a metric purely of the model precision, as a substitute for other precision metrics such as the B factor.

  8. Electron beam control using shock-induced density downramp injection

    NASA Astrophysics Data System (ADS)

    Swanson, K.; Tsai, H.-E.; Barber, S.; Lehe, R.; Mao, H.-S.; Steinke, S.; van Tilborg, J.; Geddes, C. G. R.; Leemans, W. P.

    2017-03-01

    In these experiments, we improve the quality of electrons injected along a shock-induced density downramp. We demonstrate that beam ellipticity and steering are influenced by the shock front tilt, and we present simple models to explain these effects. By adjusting the shock front angle, we minimize the beam's off-axis steering and ellipticity, producing high-quality electron beams over a tunable energy range.

  9. EISCAT (European Incoherent Scatter Radar) Electron Density Studies.

    DTIC Science & Technology

    1987-09-08

    lists the corresponding measurements of electron content made by HILAT and calculated from SPI03 measurements for each of the 7 coincident runs. The...TEC measured by HILAT and TEC calculated from EISCAT measurements, the HILAT values being always larger than those from EISCAT. The measurements...HILAT results could be due to several factors. The EISCAT value was calculated by integrating electron density over the range gates 184 km to 746.5

  10. Non-additive model for specific heat of electrons

    NASA Astrophysics Data System (ADS)

    Anselmo, D. H. A. L.; Vasconcelos, M. S.; Silva, R.; Mello, V. D.

    2016-10-01

    By using non-additive Tsallis entropy we demonstrate numerically that one-dimensional quasicrystals, whose energy spectra are multifractal Cantor sets, are characterized by an entropic parameter, and calculate the electronic specific heat, where we consider a non-additive entropy Sq. In our method we consider an energy spectra calculated using the one-dimensional tight binding Schrödinger equation, and their bands (or levels) are scaled onto the [ 0 , 1 ] interval. The Tsallis' formalism is applied to the energy spectra of Fibonacci and double-period one-dimensional quasiperiodic lattices. We analytically obtain an expression for the specific heat that we consider to be more appropriate to calculate this quantity in those quasiperiodic structures.

  11. Spatial electron density and electric field strength measurements in microwave cavity experiments

    NASA Technical Reports Server (NTRS)

    Peters, M.; Rogers, J.; Whitehair, S.; Asmussen, J.; Kerber, R.

    1984-01-01

    Measurements of electron density and electric field strength have been made in an argon plasma contained in a resonant microwave cavity at 2.45 GHz. Spatial measurements of electron density, n sub e, are correlated with fluorescence observations of the discharge. Measurements of n sub e were made with Stark broadening and compared with n sub 3 calculated from measured plasma conductivity. Additional measurements of n sub 3 as a function of pressure and in mixtures of argon and oxygen are presented for pressures from 10 Torr to 1 atm. Measurements in flowing gases and in static systems are presented. In addition, limitations of these measurements are identified.

  12. Assessing the effect of electron density in photon dose calculations

    SciTech Connect

    Seco, J.; Evans, P. M.

    2006-02-15

    Photon dose calculation algorithms (such as the pencil beam and collapsed cone, CC) model the attenuation of a primary photon beam in media other than water, by using pathlength scaling based on the relative mass density of the media to water. In this study, we assess if differences in the electron density between the water and media, with different atomic composition, can influence the accuracy of conventional photon dose calculations algorithms. A comparison is performed between an electron-density scaling method and the standard mass-density scaling method for (i) tissues present in the human body (such as bone, muscle, etc.), and for (ii) water-equivalent plastics, used in radiotherapy dosimetry and quality assurance. We demonstrate that the important material property that should be taken into account by photon dose algorithms is the electron density, and not the mass density. The mass-density scaling method is shown to overestimate, relative to electron-density predictions, the primary photon fluence for tissues in the human body and water-equivalent plastics, where 6%-7% and 10% differences were observed respectively for bone and air. However, in the case of patients, differences are expected to be smaller due to the large complexity of a treatment plan and of the patient anatomy and atomic composition and of the smaller thickness of bone/air that incident photon beams of a treatment plan may have to traverse. Differences have also been observed for conventional dose algorithms, such as CC, where an overestimate of the lung dose occurs, when irradiating lung tumors. The incorrect lung dose can be attributed to the incorrect modeling of the photon beam attenuation through the rib cage (thickness of 2-3 cm in bone upstream of the lung tumor) and through the lung and the oversimplified modeling of electron transport in convolution algorithms. In the present study, the overestimation of the primary photon fluence, using the mass-density scaling method, was shown

  13. A high current density plasma cathode electron gun

    SciTech Connect

    Fu Wenjie; Yan Yang; Li Wenxu; Li Xiaoyun; Wu Jianqiang

    2010-02-15

    The design, performance, and characteristics of a plasma cathode electron gun are presented. The plasma cathode is based on a hollow cathode direct current discharge, and the electron beam is accelerated by pulse voltage. By discharging at high gas pressure and operating at low gas pressure, both the maximum accelerating voltage and maximum emitting current could be increased. Utilizing argon, with the accelerating voltage up to 9 kV and gas pressure down to 52 mPa, the gun is able to generate an electron beam of about 4.7 A, and the corresponding emitting current density is about 600 A/cm{sup 2}.

  14. Electron-beam guiding by a reduced-density channel

    NASA Astrophysics Data System (ADS)

    Welch, D. R.; Bieniosek, F. M.; Godfrey, B. B.

    1990-12-01

    A new regime of density-channel guiding of a relativistic electron beam in air has been found using a three-dimensional charged-particle simulation code, and confirmed in a double-pulse electron-beam experiment. The guiding results from the temperature dependence of the electron-neutral momentum-transfer frequency nu(m). The mechanism does not require a deep channel to obtain a significant guiding force. For the 13-kA MEDEA II (and beams of similar parameters), guiding persists 10 nsec into the beam pulse, with the force per channel displacement as high as 4 G/cm.

  15. Bottomside Ionospheric Electron Density Specification using Passive High Frequency Signals

    NASA Astrophysics Data System (ADS)

    Kaeppler, S. R.; Cosgrove, R. B.; Mackay, C.; Varney, R. H.; Kendall, E. A.; Nicolls, M. J.

    2016-12-01

    The vertical bottomside electron density profile is influenced by a variety of natural sources, most especially traveling ionospheric disturbances (TIDs). These disturbances cause plasma to be moved up or down along the local geomagnetic field and can strongly impact the propagation of high frequency radio waves. While the basic physics of these perturbations has been well studied, practical bottomside models are not well developed. We present initial results from an assimilative bottomside ionosphere model. This model uses empirical orthogonal functions based on the International Reference Ionosphere (IRI) to develop a vertical electron density profile, and features a builtin HF ray tracing function. This parameterized model is then perturbed to model electron density perturbations associated with TIDs or ionospheric gradients. Using the ray tracing feature, the model assimilates angle of arrival measurements from passive HF transmitters. We demonstrate the effectiveness of the model using angle of arrival data. Modeling results of bottomside electron density specification are compared against suitable ancillary observations to quantify accuracy of our model.

  16. Plasma Focusing of High Energy Density Electron and Positron Beams

    SciTech Connect

    Ng, Johnny S.T.

    2000-10-09

    We present results from the SLAC E-150 experiment on plasma focusing of high energy density electron and, for the first time, positron beams. We also present results on plasma lens-induced synchrotron radiation, longitudinal dynamics of plasma focusing, and laser- and beam-plasma interactions.

  17. Probabilistic Fatigue Life Analysis of High Density Electronics Packaging

    NASA Technical Reports Server (NTRS)

    Moore, N. R.; Kolawa, E. A.; Sutharshana, S.; Newlin, L. E.; Creager, M.

    1996-01-01

    The fatigue of thin film metal interconnections in high density electronics packaging subjected to thermal cycling has been evaluated using a probabilistic fracture mechanics methodology. This probabilistic methodology includes characterization of thin film stress using an experimentally calibrated finite element model and simulation of flaw growth in the thin films using a stochastic crack growth model.

  18. Covariance and correlation estimation in electron-density maps.

    PubMed

    Altomare, Angela; Cuocci, Corrado; Giacovazzo, Carmelo; Moliterni, Anna; Rizzi, Rosanna

    2012-03-01

    Quite recently two papers have been published [Giacovazzo & Mazzone (2011). Acta Cryst. A67, 210-218; Giacovazzo et al. (2011). Acta Cryst. A67, 368-382] which calculate the variance in any point of an electron-density map at any stage of the phasing process. The main aim of the papers was to associate a standard deviation to each pixel of the map, in order to obtain a better estimate of the map reliability. This paper deals with the covariance estimate between points of an electron-density map in any space group, centrosymmetric or non-centrosymmetric, no matter the correlation between the model and target structures. The aim is as follows: to verify if the electron density in one point of the map is amplified or depressed as an effect of the electron density in one or more other points of the map. High values of the covariances are usually connected with undesired features of the map. The phases are the primitive random variables of our probabilistic model; the covariance changes with the quality of the model and therefore with the quality of the phases. The conclusive formulas show that the covariance is also influenced by the Patterson map. Uncertainty on measurements may influence the covariance, particularly in the final stages of the structure refinement; a general formula is obtained taking into account both phase and measurement uncertainty, valid at any stage of the crystal structure solution.

  19. Edge chlorination of hexa-peri-hexabenzocoronene investigated by density functional theory and vibrational spectroscopy† †Electronic supplementary information (ESI) available: Description and animations of the vibrational normal modes of HBC and HBC-Cl discussed in the text. See DOI: 10.1039/c5cp07755a Click here for additional data file. Click here for additional data file.

    PubMed Central

    Maghsoumi, Ali; Narita, Akimitsu; Dong, Renhao; Feng, Xinliang; Castiglioni, Chiara

    2016-01-01

    We investigate the molecular structure and vibrational properties of perchlorinated hexa-peri-hexabenzocoronene (HBC-Cl) by density functional theory (DFT) calculations and IR and Raman spectroscopy, in comparison to the parent HBC. The theoretical and experimental IR and Raman spectra demonstrated very good agreement, elucidating a number of vibrational modes corresponding to the observed peaks. Compared with the parent HBC, the edge chlorination significantly alters the planarity of the molecule. Nevertheless, the results indicated that such structural distortion does not significantly impair the π-conjugation of such polycyclic aromatic hydrocarbons. PMID:26912311

  20. Pseudoconvexity of the atomic electron density: A numerical study

    NASA Astrophysics Data System (ADS)

    Esquivel, Rodolfo O.; Sagar, Robin P.; Smith, Vedene H., Jr.; Chen, Jiqiang; Stott, M. J.

    1993-06-01

    The curvature, ρ''(r), of the atomic electron density ρ(r) is studied using results from a bare-Coulomb-field (BCF) model, Hartree-Fock (HF), and configuration-interaction (CI) calculations. A region of nonconvexity in ρ(r), previously reported by Angulo, Dehesa, and Gálvez [Phys. Rev. A 42, 641 (1990)] for light atoms in a Hartree-Fock framework, is investigated for all atoms up to Z=92 and is found not to be an artifact of the basis set or the HF model. Numerical results for the BCF model show that the total electron density of an arbitrary number of closed shells is convex. However, for the same model with electrons filling orbitals according to Stoner's restriction we find that nonconvexity of the density is a periodic property appearing around closed-shell ground-state hydrogenic configurations. Cusp conditions, reported earlier by Esquivel et al. [Phys. Rev. A 47, 936 (1993)] for the second derivative of the BCF density are verified for model atoms with s and p subshells. Using wave functions of near-HF accuracy we have found a region of nonconvexity in ρ(r) for atoms with Z=3-6, 16-32, and 45-92. Highly correlated densities of CI and Hylleraas-type quality for atoms of Li and Be isoelectronic sequences show that the nonconvex region of ρ(r) is largely unaffected by the inclusion of electron correlation. These results, coupled with those from the BCF model, lead us to suggest that it is the bare Coulomb field of the nucleus that is mainly responsible for the appearance of nonconvex regions in atoms. Furthermore, the degree of nonconvexity is shown to decrease as Z increases along the isoelectronic series. The contributions of different spin densities to the nonconvex electron densities is also studied. Finally, the behavior of the curvature of the electron density far from the nucleus is investigated. The ratio ρ''(r)/ρ(r) is found to approach an asymptotic value from above or below, according to the magnitude of the ionization potential.

  1. Relations among several nuclear and electronic density functional reactivity indexes

    NASA Astrophysics Data System (ADS)

    Torrent-Sucarrat, Miquel; Luis, Josep M.; Duran, Miquel; Toro-Labbé, Alejandro; Solà, Miquel

    2003-11-01

    An expansion of the energy functional in terms of the total number of electrons and the normal coordinates within the canonical ensemble is presented. A comparison of this expansion with the expansion of the energy in terms of the total number of electrons and the external potential leads to new relations among common density functional reactivity descriptors. The formulas obtained provide explicit links between important quantities related to the chemical reactivity of a system. In particular, the relation between the nuclear and the electronic Fukui functions is recovered. The connection between the derivatives of the electronic energy and the nuclear repulsion energy with respect to the external potential offers a proof for the "Quantum Chemical le Chatelier Principle." Finally, the nuclear linear response function is defined and the relation of this function with the electronic linear response function is given.

  2. Ligand Electron Density Shape Recognition Using 3D Zernike Descriptors

    NASA Astrophysics Data System (ADS)

    Gunasekaran, Prasad; Grandison, Scott; Cowtan, Kevin; Mak, Lora; Lawson, David M.; Morris, Richard J.

    We present a novel approach to crystallographic ligand density interpretation based on Zernike shape descriptors. Electron density for a bound ligand is expanded in an orthogonal polynomial series (3D Zernike polynomials) and the coefficients from this expansion are employed to construct rotation-invariant descriptors. These descriptors can be compared highly efficiently against large databases of descriptors computed from other molecules. In this manuscript we describe this process and show initial results from an electron density interpretation study on a dataset containing over a hundred OMIT maps. We could identify the correct ligand as the first hit in about 30 % of the cases, within the top five in a further 30 % of the cases, and giving rise to an 80 % probability of getting the correct ligand within the top ten matches. In all but a few examples, the top hit was highly similar to the correct ligand in both shape and chemistry. Further extensions and intrinsic limitations of the method are discussed.

  3. Fast electronic resistance switching involving hidden charge density wave states

    NASA Astrophysics Data System (ADS)

    Vaskivskyi, I.; Mihailovic, I. A.; Brazovskii, S.; Gospodaric, J.; Mertelj, T.; Svetin, D.; Sutar, P.; Mihailovic, D.

    2016-05-01

    The functionality of computer memory elements is currently based on multi-stability, driven either by locally manipulating the density of electrons in transistors or by switching magnetic or ferroelectric order. Another possibility is switching between metallic and insulating phases by the motion of ions, but their speed is limited by slow nucleation and inhomogeneous percolative growth. Here we demonstrate fast resistance switching in a charge density wave system caused by pulsed current injection. As a charge pulse travels through the material, it converts a commensurately ordered polaronic Mott insulating state in 1T-TaS2 to a metastable electronic state with textured domain walls, accompanied with a conversion of polarons to band states, and concurrent rapid switching from an insulator to a metal. The large resistance change, high switching speed (30 ps) and ultralow energy per bit opens the way to new concepts in non-volatile memory devices manipulating all-electronic states.

  4. Sorting carbon nanotubes by electronic structure using density differentiation.

    PubMed

    Arnold, Michael S; Green, Alexander A; Hulvat, James F; Stupp, Samuel I; Hersam, Mark C

    2006-10-01

    The heterogeneity of as-synthesized single-walled carbon nanotubes (SWNTs) precludes their widespread application in electronics, optics and sensing. We report on the sorting of carbon nanotubes by diameter, bandgap and electronic type using structure-discriminating surfactants to engineer subtle differences in their buoyant densities. Using the scalable technique of density-gradient ultracentrifugation, we have isolated narrow distributions of SWNTs in which >97% are within a 0.02-nm-diameter range. Furthermore, using competing mixtures of surfactants, we have produced bulk quantities of SWNTs of predominantly a single electronic type. These materials were used to fabricate thin-film electrical devices of networked SWNTs characterized by either metallic or semiconducting behaviour.

  5. Fast electronic resistance switching involving hidden charge density wave states.

    PubMed

    Vaskivskyi, I; Mihailovic, I A; Brazovskii, S; Gospodaric, J; Mertelj, T; Svetin, D; Sutar, P; Mihailovic, D

    2016-05-16

    The functionality of computer memory elements is currently based on multi-stability, driven either by locally manipulating the density of electrons in transistors or by switching magnetic or ferroelectric order. Another possibility is switching between metallic and insulating phases by the motion of ions, but their speed is limited by slow nucleation and inhomogeneous percolative growth. Here we demonstrate fast resistance switching in a charge density wave system caused by pulsed current injection. As a charge pulse travels through the material, it converts a commensurately ordered polaronic Mott insulating state in 1T-TaS2 to a metastable electronic state with textured domain walls, accompanied with a conversion of polarons to band states, and concurrent rapid switching from an insulator to a metal. The large resistance change, high switching speed (30 ps) and ultralow energy per bit opens the way to new concepts in non-volatile memory devices manipulating all-electronic states.

  6. Fast electronic resistance switching involving hidden charge density wave states

    PubMed Central

    Vaskivskyi, I.; Mihailovic, I. A.; Brazovskii, S.; Gospodaric, J.; Mertelj, T.; Svetin, D.; Sutar, P.; Mihailovic, D.

    2016-01-01

    The functionality of computer memory elements is currently based on multi-stability, driven either by locally manipulating the density of electrons in transistors or by switching magnetic or ferroelectric order. Another possibility is switching between metallic and insulating phases by the motion of ions, but their speed is limited by slow nucleation and inhomogeneous percolative growth. Here we demonstrate fast resistance switching in a charge density wave system caused by pulsed current injection. As a charge pulse travels through the material, it converts a commensurately ordered polaronic Mott insulating state in 1T–TaS2 to a metastable electronic state with textured domain walls, accompanied with a conversion of polarons to band states, and concurrent rapid switching from an insulator to a metal. The large resistance change, high switching speed (30 ps) and ultralow energy per bit opens the way to new concepts in non-volatile memory devices manipulating all-electronic states. PMID:27181483

  7. Study of transverse density waves in an electron beam experiment

    NASA Astrophysics Data System (ADS)

    Bernal, Santiago

    1999-10-01

    The physics of the transport of intense charged-particle beams is characterized by the evolution of the beam particle distribution in phase space. The internal structure of an intense beam, which comprises both density and temperature profiles, changes in response to the combined action of external focusing and the self- electric field. The present work explores beam evolution in experiments conducted in a number of focusing channels over a distance of about one meter. The initial experiments with one short solenoid and five printed- circuit (PC) magnetostatic quadrupole lenses constitute prototype matching experiments for the University of Maryland Electron Ring, or UMER. The latter will be a machine designed to explore beam physics issues associated with circular machines, over an entirely new regime of beam intensities with potential applications for future accelerators. In all experiments, the beam profiles along the channel are obtained from phosphor screen pictures. A linear beam envelope code is used for section design, while particle- in-cell simulations provide important clues for beam evolution. During the course of the initial matching experiments, a wavelike phenomenon was discovered that led to additional experiments in three-solenoid and six- PC quadrupole channels. It was found that the waves are induced by an aperture located a few centimeters from the electron gun cathode. Simulations suggest that the beam phase-space particle distribution relaxes to an equilibrium distribution after a few plasma periods. Furthermore, a simple particle-tracking model reproduces well the onset of the perturbation in all experiments. Simulations also show a small decrease of beam root-mean- square emittance, a beam quality factor, over a few plasma periods. Furthermore, the irreversible character and associated entropy increase of the beam relaxation are reconciled with the reduction in emittance. Several questions remain concerning the stability and scaling of the

  8. Additions and Improvements to the FLASH Code for Simulating High Energy Density Physics Experiments

    NASA Astrophysics Data System (ADS)

    Lamb, D. Q.; Daley, C.; Dubey, A.; Fatenejad, M.; Flocke, N.; Graziani, C.; Lee, D.; Tzeferacos, P.; Weide, K.

    2015-11-01

    FLASH is an open source, finite-volume Eulerian, spatially adaptive radiation hydrodynamics and magnetohydrodynamics code that incorporates capabilities for a broad range of physical processes, performs well on a wide range of computer architectures, and has a broad user base. Extensive capabilities have been added to FLASH to make it an open toolset for the academic high energy density physics (HEDP) community. We summarize these capabilities, with particular emphasis on recent additions and improvements. These include advancements in the optical ray tracing laser package, with methods such as bi-cubic 2D and tri-cubic 3D interpolation of electron number density, adaptive stepping and 2nd-, 3rd-, and 4th-order Runge-Kutta integration methods. Moreover, we showcase the simulated magnetic field diagnostic capabilities of the code, including induction coils, Faraday rotation, and proton radiography. We also describe several collaborations with the National Laboratories and the academic community in which FLASH has been used to simulate HEDP experiments. This work was supported in part at the University of Chicago by the DOE NNSA ASC through the Argonne Institute for Computing in Science under field work proposal 57789; and the NSF under grant PHY-0903997.

  9. Atomic and electronic structure of polar oxide interfaces: Electron microscopy and density functional theory study

    NASA Astrophysics Data System (ADS)

    Lazarov, Vlado

    Polar oxide interfaces are formed when two polar oxide surfaces join. The apparent presence of an electric dipole moment in the repeat unit parallel to the surface/interface closely relate the polar oxide interfaces instability to that of the of polar oxide surfaces. In this thesis, we combined Electron Microscopy and Density Functional Theory to study how the interface polarity affects the atomic and electronic structure of polar oxide interfaces, by using Fe3O4(111)/MgO(111) as a model system. The formation of Fe nanoinclusions found at the interface and within the polar Fe3 O4(111) film is proposed to be new stabilization mechanism for the magnetite film. High-resolution electron microscopy imaging of the interface together with first principle calculations suggest an atomically abrupt substrate-film interface determined with Fe monolayer in octahedral position (FeB). This interface stacking (O/Mg/O/3FeB/O) provides lowest total interface (system) energy and the most effectively screening of the MgO(111) substrate surface polarity. The results of our study suggest that surface polarity could be used as an additional growth parameter in creating novel material structures, such as metals in oxide matrices.

  10. Non-additive response of larval ringed salamanders to intraspecific density.

    PubMed

    Ousterhout, Brittany H; Semlitsch, Raymond D

    2016-04-01

    Conditions experienced in early developmental stages can have long-term consequences for individual fitness. High intraspecific density during the natal period can affect juvenile and eventually adult growth rates, metabolism, immune function, survival, and fecundity. Despite the important ecological and evolutionary effects of early developmental density, the form of the relationship between natal density and resulting juvenile phenotype is poorly understood. To test competing hypotheses explaining responses to intraspecific density, we experimentally manipulated the initial larval density of ringed salamanders (Ambystoma annulatum), a pond-breeding amphibian, over 11 densities. We modeled the functional form of the relationship between natal density and juvenile traits, and compared the relative support for the various hypotheses based on their goodness of fit. These functional form models were then used to parameterize a simple simulation model of population growth. Our data support non-additive density dependence and presents an alternate hypothesis to additive density dependence, self-thinning and Allee effects in larval amphibians. We posit that ringed salamander larvae may be under selective pressure for tolerance to high density and increased efficiency in resource utilization. Additionally, we demonstrate that models of population dynamics are sensitive to assumptions of the functional form of density dependence.

  11. Predictions of electron temperatures in the Mars ionosphere and their effects on electron densities

    NASA Astrophysics Data System (ADS)

    Withers, Paul; Fallows, Kathryn; Matta, Majd

    2014-04-01

    Observations of peak electron densities in the Mars ionosphere are well fit by a simplistic theory that assumes the electron temperature, Te, at the peak remains constant as solar zenith angle, χ, changes. However, Te ought to vary with both altitude and χ. Here we use an existing numerical model of ionospheric energetics, which includes both vertical and diurnal variations in temperatures, to predict that Te at the ionospheric peak is relatively independent of χ. This model accurately predicts the observed dependence of peak electron density on χ, whereas predictions using Viking-based electron temperatures that are held constant with time do not. A simplified analytic model is developed to interpret these results further. It predicts that the difference between electron and neutral temperatures is proportional to the ratio of electron heating rate to electron production rate and proportional to the square root of solar irradiance.

  12. Collimated fast electron beam generation in critical density plasma

    SciTech Connect

    Iwawaki, T. Habara, H.; Morita, K.; Tanaka, K. A.; Baton, S.; Fuchs, J.; Chen, S.; Nakatsutsumi, M.; Rousseaux, C.; Filippi, F.; Nazarov, W.

    2014-11-15

    Significantly collimated fast electron beam with a divergence angle 10° (FWHM) is observed when an ultra-intense laser pulse (I = 10{sup 14 }W/cm{sup 2}, 300 fs) irradiates a uniform critical density plasma. The uniform plasma is created through the ionization of an ultra-low density (5 mg/c.c.) plastic foam by X-ray burst from the interaction of intense laser (I = 10{sup 14 }W/cm{sup 2}, 600 ps) with a thin Cu foil. 2D Particle-In-Cell (PIC) simulation well reproduces the collimated electron beam with a strong magnetic field in the region of the laser pulse propagation. To understand the physical mechanism of the collimation, we calculate energetic electron motion in the magnetic field obtained from the 2D PIC simulation. As the results, the strong magnetic field (300 MG) collimates electrons with energy over a few MeV. This collimation mechanism may attract attention in many applications such as electron acceleration, electron microscope and fast ignition of laser fusion.

  13. Electron charge densities at conduction-band edges of semiconductors

    SciTech Connect

    Richardson, S.L.; Cohen, M.L.; Louie, S.G.; Chelikowsky, J.R.

    1986-01-15

    We demonstrate that both the empirical pseudopotential method (EPM) and the linear combination of atomiclike orbitals (LCAO) approach are capable of producing consistent electronic charge distributions in a compound semiconductor. Since the EPM approach is known to produce total valence electron charge densities which compare well with experimental x-ray data (e.g., Si), this work serves as a further test for the LCAO method. In particular, the EPM scheme, which uses an extended plane-wave basis, and the LCAO scheme, which employs a localized Gaussian basis, are used, with the same empirical potential as input, to analyze both the total valence electron charge density and the charge density of the first conduction band at the GAMMA, L, and X k points of the Brillouin zone. These charge densities are decomposed into their s-, p-, and d-orbital contributions, and this information is used to interpret the differences in the topologies of the conduction bands at GAMMA, L, and X. Such differences are crucial for a comprehensive understanding of interstitial impurities and the response of specific band states to perturbations in compound semiconductors.

  14. Absolute electron density measurements in the equatorial ionosphere

    NASA Technical Reports Server (NTRS)

    Baker, K. D.; Howlett, L. C.; Rao, N. B.; Ulwick, J. C.; Labelle, J.

    1985-01-01

    Accurate measurement of the electron density profile and its variations is crucial to further progress in understanding the physics of the disturbed equatorial ionosphere. To accomplish this, a plasma frequency probe was included in the payload complement of two rockets flown during the Condor rocket campaign conducted from Peru in March 1983. This paper presents density profiles of the disturbed equatorial ionosphere from a night-time flight in which spread-F conditions were present and from a day-time flight during strong electrojet conditions. Results from both flights are in excellent agreement with simultaneous radar data in that the regions of highly disturbed plasma coincide with the radar signatures. The spread-F rocket penetrated a topside depletion during both the upleg and downleg. The electrojet measurements showed a profile peaking at 1.3 x 10 to the 5th per cu cm at 106 km, with large scale fluctuations having amplitudes of roughly 10 percent seen only in the upward gradient in electron density. This is in agreement with plasma instability theory. It is further shown that simultaneous measurements by fixed-bias Langmuir probes, when normalized at a single point to the altitude profile of electron density, are inadequate to correctly parameterize the observed enhancements and depletions.

  15. Absolute electron density measurements in the equatorial ionosphere

    NASA Technical Reports Server (NTRS)

    Baker, K. D.; Howlett, L. C.; Rao, N. B.; Ulwick, J. C.; Labelle, J.

    1985-01-01

    Accurate measurement of the electron density profile and its variations is crucial to further progress in understanding the physics of the disturbed equatorial ionosphere. To accomplish this, a plasma frequency probe was included in the payload complement of two rockets flown during the Condor rocket campaign conducted from Peru in March 1983. This paper presents density profiles of the disturbed equatorial ionosphere from a night-time flight in which spread-F conditions were present and from a day-time flight during strong electrojet conditions. Results from both flights are in excellent agreement with simultaneous radar data in that the regions of highly disturbed plasma coincide with the radar signatures. The spread-F rocket penetrated a topside depletion during both the upleg and downleg. The electrojet measurements showed a profile peaking at 1.3 x 10 to the 5th per cu cm at 106 km, with large scale fluctuations having amplitudes of roughly 10 percent seen only in the upward gradient in electron density. This is in agreement with plasma instability theory. It is further shown that simultaneous measurements by fixed-bias Langmuir probes, when normalized at a single point to the altitude profile of electron density, are inadequate to correctly parameterize the observed enhancements and depletions.

  16. Nearly degenerate electron distributions and superluminal radiation densities

    NASA Astrophysics Data System (ADS)

    Tomaschitz, Roman

    2010-02-01

    Polylogarithmic fugacity expansions of the partition function, the caloric and thermal equations of state, and the specific heat of fermionic power-law distributions are derived in the nearly degenerate low-temperature/high-density quantum regime. The spectral functions of an ultra-relativistic electron plasma are obtained by averaging the tachyonic radiation densities of inertial electrons with Fermi power-laws, whose entropy is shown to be extensive and stable. The averaged radiation densities are put to test by performing tachyonic cascade fits to the γ-ray spectrum of the TeV blazar Markarian 421 in a low and high emission state. Estimates of the thermal electron plasma in this active galactic nucleus are extracted from the spectral fits, such as temperature, number count, and internal energy. The tachyonic cascades reproduce the quiescent as well as a burst spectrum of the blazar obtained with imaging atmospheric Cherenkov detectors. Double-logarithmic plots of the differential tachyon flux exhibit intrinsic spectral curvature, caused by the Boltzmann factor of the electron gas.

  17. Statistical quality indicators for electron-density maps

    PubMed Central

    Tickle, Ian J.

    2012-01-01

    The commonly used validation metrics for the local agreement of a structure model with the observed electron density, namely the real-space R (RSR) and the real-space correlation coefficient (RSCC), are reviewed. It is argued that the primary goal of all validation techniques is to verify the accuracy of the model, since precision is an inherent property of the crystal and the data. It is demonstrated that the principal weakness of both of the above metrics is their inability to distinguish the accuracy of the model from its precision. Furthermore, neither of these metrics in their usual implementation indicate the statistical significance of the result. The statistical properties of electron-density maps are reviewed and an improved alternative likelihood-based metric is suggested. This leads naturally to a χ2 significance test of the difference density using the real-space difference density Z score (RSZD). This is a metric purely of the local model accuracy, as required for effective model validation and structure optimization by practising crystallographers prior to submission of a structure model to the PDB. A new real-space observed density Z score (RSZO) is also proposed; this is a metric purely of the model precision, as a substitute for other precision metrics such as the B factor. PMID:22505266

  18. Statistical quality indicators for electron-density maps.

    PubMed

    Tickle, Ian J

    2012-04-01

    The commonly used validation metrics for the local agreement of a structure model with the observed electron density, namely the real-space R (RSR) and the real-space correlation coefficient (RSCC), are reviewed. It is argued that the primary goal of all validation techniques is to verify the accuracy of the model, since precision is an inherent property of the crystal and the data. It is demonstrated that the principal weakness of both of the above metrics is their inability to distinguish the accuracy of the model from its precision. Furthermore, neither of these metrics in their usual implementation indicate the statistical significance of the result. The statistical properties of electron-density maps are reviewed and an improved alternative likelihood-based metric is suggested. This leads naturally to a χ(2) significance test of the difference density using the real-space difference density Z score (RSZD). This is a metric purely of the local model accuracy, as required for effective model validation and structure optimization by practising crystallographers prior to submission of a structure model to the PDB. A new real-space observed density Z score (RSZO) is also proposed; this is a metric purely of the model precision, as a substitute for other precision metrics such as the B factor.

  19. A reexamination of electron density diagnostics for ionized gaseous nebulae

    NASA Astrophysics Data System (ADS)

    Wang, W.; Liu, X.-W.; Zhang, Y.; Barlow, M. J.

    2004-12-01

    We present a comparison of electron densities derived from optical forbidden line diagnostic ratios for a sample of over a hundred nebulae. We consider four density indicators, the [O II] λ3729/λ3726, [S II] λ6716/λ6731, [Cl III] λ5517/λ5537 and [Ar IV] λ4711/λ4740 doublet ratios. Except for a few H II regions for which data from the literature were used, diagnostic line ratios were derived from our own high quality spectra. For the [O II] λ3729/λ3726 doublet ratio, we find that our default atomic data set, consisting of transition probabilities from Zeippen (\\cite{zeippen1982}) and collision strengths from Pradhan (\\cite{pradhan}), fit the observations well, although at high electron densities, the [O II] doublet ratio yields densities systematically lower than those given by the [S II] λ6716/λ6731 doublet ratio, suggesting that the ratio of transition probabilities of the [O II] doublet, A(λ3729)/A(λ3726), given by Zeippen (\\cite{zeippen1982}) may need to be revised upwards by approximately 6 per cent. Our analysis also shows that the more recent calculations of [O II] transition probabilities by Zeippen (\\cite{zeippen1987a}) and collision strengths by McLaughlin & Bell (\\cite{mclaughlin}) are inconsistent with the observations at the high and low density limits, respectively, and can therefore be ruled out. We confirm the earlier result of Copetti & Writzl (\\cite{copetti2002}) that the [O II] transition probabilities calculated by Wiese et al. (\\cite{wiese}) yield electron densities systematically lower than those deduced from the [S II] λ6716/λ6731 doublet ratio and that the discrepancy is most likely caused by errors in the transition probabilities calculated by Wiese et al. (\\cite{wiese}). Using our default atomic data set for [O II], we find that Ne([O II]) ⪉ Ne([S II]) ≈ Ne([Cl III])< Ne([Ar IV]).

  20. A theoretical-electron-density databank using a model of real and virtual spherical atoms.

    PubMed

    Nassour, Ayoub; Domagala, Slawomir; Guillot, Benoit; Leduc, Theo; Lecomte, Claude; Jelsch, Christian

    2017-08-01

    A database describing the electron density of common chemical groups using combinations of real and virtual spherical atoms is proposed, as an alternative to the multipolar atom modelling of the molecular charge density. Theoretical structure factors were computed from periodic density functional theory calculations on 38 crystal structures of small molecules and the charge density was subsequently refined using a density model based on real spherical atoms and additional dummy charges on the covalent bonds and on electron lone-pair sites. The electron-density parameters of real and dummy atoms present in a similar chemical environment were averaged on all the molecules studied to build a database of transferable spherical atoms. Compared with the now-popular databases of transferable multipolar parameters, the spherical charge modelling needs fewer parameters to describe the molecular electron density and can be more easily incorporated in molecular modelling software for the computation of electrostatic properties. The construction method of the database is described. In order to analyse to what extent this modelling method can be used to derive meaningful molecular properties, it has been applied to the urea molecule and to biotin/streptavidin, a protein/ligand complex.

  1. Adsorption of alkenes on acidic zeolites. Theoretical study based on the electron charge density.

    PubMed

    Zalazar, M Fernanda; Duarte, Darío J R; Peruchena, Nélida M

    2009-12-10

    In the present work, experiments on electron density changes in the adsorption process of alkenes on acidic zeolites, in the framework of atoms in molecules theory (AIM), were carried out. Electron densities were obtained at MP2 and B3LYP levels using a 6-31++G(d,p) basis set. This study explores the energetic and the electron density redistributions associated with O-H...pi interactions. The main purpose of this work is to provide an answer to the following questions: (a) Which and how large are the changes induced on the molecular electron distribution by the formation of adsorbed alkenes? (b) Can a reasonable estimate of the adsorption energy of alkenes on the active site of zeolite be solely calculated from an analysis of the electron densities? We have used topological parameters to determine the strength and nature of the interactions in the active site of the zeolite. All the results derived from the electron density analysis show that the stabilization of the adsorbed alkenes follows the order isobutene > trans-2-butene congruent with 1-butene congruent with propene > ethene, reflecting the order of basicity of C=C bonds, i.e., (C(ter)=C(prim)) > (C(sec)=C(sec)) congruent with (C(prim)=C(sec)) > (C(prim)=C(prim)). In addition, we have found a useful set of topological parameters that are good for estimating the adsorption energy in adsorbed alkenes.

  2. Potential and electron density calculated for freely expanding plasma by an electron beam

    SciTech Connect

    Ho, C. Y.; Tsai, Y. H.; Ma, C.; Wen, M. Y.

    2011-07-01

    This paper investigates the radial distributions of potential and electron density in free expansion plasma induced by an electron beam irradiating on the plate. The region of plasma production is assumed to be cylindrical, and the plasma expansion is assumed to be from a cylindrical source. Therefore, the one-dimensional model in cylindrical coordinates is employed in order to analyze the radial distributions of the potential and electron density. The Runge-Kutta method and the perturbation method are utilized in order to obtain the numerical and approximate solutions, respectively. The results reveal that the decrease in the initial ion energy makes most of the ions gather near the plasma production region and reduces the distribution of the average positive potential, electron, and ion density along the radial direction. The oscillation of steady-state plasma along the radial direction is also presented in this paper. The ions induce a larger amplitude of oscillation along the radial direction than do electrons because the electrons oscillate around slowly moving ions due to a far smaller electron mass than ion mass. The radial distributions of the positive potential and electron density predicted from this study are compared with the available experimental data.

  3. Hydrogen atom addition to the surface of graphene nanoflakes: A density functional theory study

    NASA Astrophysics Data System (ADS)

    Tachikawa, Hiroto

    2017-02-01

    Polycyclic aromatic hydrocarbons (PAHs) provide a 2-dimensional (2D) reaction surface in 3-dimensional (3D) interstellar space and have been utilized as a model of graphene surfaces. In the present study, the reaction of PAHs with atomic hydrogen was investigated by means of density functional theory (DFT) to systematically elucidate the binding nature of atomic hydrogen to graphene nanoflakes. PAHs with n = 4-37 were chosen, where n indicates the number of benzene rings. Activation energies of hydrogen addition to the graphene surface were calculated to be 5.2-7.0 kcal/mol at the CAM-B3LYP/6-311G(d,p) level, which is almost constant for all PAHs. The binding energies of hydrogen atom were slightly dependent on the size (n): 14.8-28.5 kcal/mol. The absorption spectra showed that a long tail is generated at the low-energy region after hydrogen addition to the graphene surface. The electronic states of hydrogenated graphenes were discussed on the basis of theoretical results.

  4. Measurements of electron number density and plasma temperature using LIBS

    NASA Astrophysics Data System (ADS)

    Zhao, Xiao-xia; Luo, Wen-feng; He, Jun-fang; Wang, Hong-ying; Yang, Sen-lin; Li, Yuan-yuan

    2016-10-01

    Plasma produced by the radiation of a 1064 nm Nd:YAG laser focused onto a standard aluminum alloy E311 was studied spectroscopically. The electron density was inferred by measuring the Stark broadened line profile of Cu I 324.75 nm at a distance of 1.5 mm from the target surface with the laser irradiance of 3.27 GW/cm2. The electron temperature was determined using the Boltzmann plot method with eight neutral iron lines. At the same time, the validity of the assumption of local thermodynamic equilibrium was discussed in light of the results obtained.

  5. Total electron content and F-region electron density distribution near the magnetic equator in India

    NASA Technical Reports Server (NTRS)

    Rastogi, R. G.; Sethia, G.; Chandra, H.; Deshpande, M. R.; Davies, K.; Murthy, B. S.

    1979-01-01

    Total electron content derived from the group delay measurements of ATS-6 radio beacons received at Ootacamund (India) are compared with the electron-density vs height distributions derived from the ionosonde data of the nearby station Kodaikanal. The daily variation of equivalent vertical total electron content does not show the midday bite out which is so prominently present in the corresponding daily variation of the maximum F-region electron density. The topside electron content continues to increase from sunrise to a maximum value around 1500 LT, while the bottomside electron content reaches a maximum value around 0500 LT. Daily variations of these as well as other parameters, e.g. the vertical slab thickness, the bottomside semi-thickness, the height of the F2 peak have been also studied for a geomagnetically quiet and a disturbed day.

  6. Excess electrons in ice: a density functional theory study.

    PubMed

    Bhattacharya, Somesh Kr; Inam, Fakharul; Scandolo, Sandro

    2014-02-21

    We present a density functional theory study of the localization of excess electrons in the bulk and on the surface of crystalline and amorphous water ice. We analyze the initial stages of electron solvation in crystalline and amorphous ice. In the case of crystalline ice we find that excess electrons favor surface states over bulk states, even when the latter are localized at defect sites. In contrast, in amorphous ice excess electrons find it equally favorable to localize in bulk and in surface states which we attribute to the preexisting precursor states in the disordered structure. In all cases excess electrons are found to occupy the vacuum regions of the molecular network. The electron localization in the bulk of amorphous ice is assisted by its distorted hydrogen bonding network as opposed to the crystalline phase. Although qualitative, our results provide a simple interpretation of the large differences observed in the dynamics and localization of excess electrons in crystalline and amorphous ice films on metals.

  7. Fuzzy electron density fragments in macromolecular quantum chemistry, combinatorial quantum chemistry, functional group analysis, and shape-activity relations.

    PubMed

    Mezey, Paul G

    2014-09-16

    Conspectus Just as complete molecules have no boundaries and have "fuzzy" electron density clouds approaching zero density exponentially at large distances from the nearest nucleus, a physically justified choice for electron density fragments exhibits similar behavior. Whereas fuzzy electron densities, just as any fuzzy object, such as a thicker cloud on a foggy day, do not lend themselves to easy visualization, one may partially overcome this by using isocontours. Whereas a faithful representation of the complete fuzzy density would need infinitely many such isocontours, nevertheless, by choosing a selected few, one can still obtain a limited pictorial representation. Clearly, such images are of limited value, and one better relies on more complete mathematical representations, using, for example, density matrices of fuzzy fragment densities. A fuzzy density fragmentation can be obtained in an exactly additive way, using the output from any of the common quantum chemical computational techniques, such as Hartree-Fock, MP2, and various density functional approaches. Such "fuzzy" electron density fragments properly represented have proven to be useful in a rather wide range of applications, for example, (a) using them as additive building blocks leading to efficient linear scaling macromolecular quantum chemistry computational techniques, (b) the study of quantum chemical functional groups, (c) using approximate fuzzy fragment information as allowed by the holographic electron density theorem, (d) the study of correlations between local shape and activity, including through-bond and through-space components of interactions between parts of molecules and relations between local molecular shape and substituent effects, (e) using them as tools of density matrix extrapolation in conformational changes, (f) physically valid averaging and statistical distribution of several local electron densities of common stoichiometry, useful in electron density databank mining, for

  8. A novel electron density reconstruction method for asymmetrical toroidal plasmas

    SciTech Connect

    Shi, N.; Ohshima, S.; Minami, T.; Nagasaki, K.; Yamamoto, S.; Mizuuchi, T.; Okada, H.; Kado, S.; Kobayashi, S.; Konoshima, S.; Sano, F.; Tanaka, K.; Ohtani, Y.; Zang, L.; Kenmochi, N.

    2014-05-15

    A novel reconstruction method is developed for acquiring the electron density profile from multi-channel interferometric measurements of strongly asymmetrical toroidal plasmas. It is based on a regularization technique, and a generalized cross-validation function is used to optimize the regularization parameter with the aid of singular value decomposition. The feasibility of method could be testified by simulated measurements based on a magnetic configuration of the flexible helical-axis heliotron device, Heliotron J, which has an asymmetrical poloidal cross section. And the successful reconstruction makes possible to construct a multi-channel Far-infrared laser interferometry on this device. The advantages of this method are demonstrated by comparison with a conventional method. The factors which may affect the accuracy of the results are investigated, and an error analysis is carried out. Based on the obtained results, the proposed method is highly promising for accurately reconstructing the electron density in the asymmetrical toroidal plasma.

  9. Excitations and benchmark ensemble density functional theory for two electrons

    SciTech Connect

    Pribram-Jones, Aurora; Burke, Kieron; Yang, Zeng-hui; Ullrich, Carsten A.; Trail, John R.; Needs, Richard J.

    2014-05-14

    A new method for extracting ensemble Kohn-Sham potentials from accurate excited state densities is applied to a variety of two-electron systems, exploring the behavior of exact ensemble density functional theory. The issue of separating the Hartree energy and the choice of degenerate eigenstates is explored. A new approximation, spin eigenstate Hartree-exchange, is derived. Exact conditions that are proven include the signs of the correlation energy components and the asymptotic behavior of the potential for small weights of the excited states. Many energy components are given as a function of the weights for two electrons in a one-dimensional flat box, in a box with a large barrier to create charge transfer excitations, in a three-dimensional harmonic well (Hooke's atom), and for the He atom singlet-triplet ensemble, singlet-triplet-singlet ensemble, and triplet bi-ensemble.

  10. Driving Plasmaspheric Electron Density Simulations During Geomagnetic Storms

    NASA Astrophysics Data System (ADS)

    De Pascuale, S.; Kletzing, C.; Jordanova, V.; Goldstein, J.; Wygant, J. R.; Thaller, S. A.

    2015-12-01

    We test global convection electric field models driving plasmaspheric electron density simulations (RAM-CPL) during geomagnetic storms with in situ measurements provided by the Van Allen Probes (RBSP). RAM-CPL is the cold plasma component of the ring-current atmosphere interactions suite (RAM-SCB) and describes the evolution of plasma density in the magnetic equatorial plane near Earth. Geomagnetic events observed by the RBSP satellites in different magnetic local time (MLT) sectors enable a comparison of local asymmetries in the input electric field and output densities of these simulations. Using a fluid MHD approach, RAM-CPL reproduces core plasmaspheric densities (L<4) to less than 1 order of magnitude difference. Approximately 80% of plasmapause crossings, defined by a low-density threshold, are reproduced to within a mean radial difference of 0.6 L. RAM-CPL, in conjunction with a best-fit driver, can be used in other studies as an asset to predict density conditions in locations distant from RBSP orbits of interest.

  11. Electron momentum spectroscopy study of amantadine: binding energy spectra and valence orbital electron density distributions

    NASA Astrophysics Data System (ADS)

    Litvinyuk, I. V.; Zheng, Y.; Brion, C. E.

    2000-11-01

    The electron binding energy spectrum and valence orbital electron momentum density distributions of amantadine (1-aminoadamantane), an important anti-viral and anti-Parkinsonian drug, have been measured by electron momentum spectroscopy. Theoretical momentum distributions, calculated at the 6-311++G** and AUG-CC-PVTZ levels within the target Hartree-Fock and also the target Kohn-Sham density functional theory approximations, show good agreement with the experimental results. The results for amantadine are also compared with those for the parent molecule, adamantane, reported earlier (Chem. Phys. 253 (2000) 41). Based on the comparison tentative assignments of the valence region ionization bands of amantadine have been made.

  12. Plasma actuator electron density measurement using microwave perturbation method

    SciTech Connect

    Mirhosseini, Farid; Colpitts, Bruce

    2014-07-21

    A cylindrical dielectric barrier discharge plasma under five different pressures is generated in an evacuated glass tube. This plasma volume is located at the center of a rectangular copper waveguide cavity, where the electric field is maximum for the first mode and the magnetic field is very close to zero. The microwave perturbation method is used to measure electron density and plasma frequency for these five pressures. Simulations by a commercial microwave simulator are comparable to the experimental results.

  13. New Data on the Topside Electron Density Distribution

    NASA Technical Reports Server (NTRS)

    Huang, Xue-Qin; Reinisch, Bodo; Bilitza, Dieter; Benson, Robert F.

    2001-01-01

    The existing uncertainties about the electron density profiles in the topside ionosphere, i.e., in the height region from hmF2 to approx. 2000 km, require the search for new data sources. The ISIS and Alouette topside sounder satellites from the sixties to the eighties recorded millions of ionograms and most were not analyzed in terms of electron density profiles. In recent years an effort started to digitize the analog recordings to prepare the ionograms for computerized analysis. As of November 2001 about 350,000 ionograms have been digitized from the original 7-track analog tapes. These data are available in binary and CDF format from the anonymous ftp site of the National Space Science Data Center. A search site and browse capabilities on CDAWeb assist the scientific usage of these data. All information and access links can be found at http://nssdc.gsfc.nasa.gov/space/isis/isis-status.html. This paper describes the ISIS data restoration effort and shows how the digital ionograms are automatically processed into electron density profiles from satellite orbit altitude (1400 km for ISIS-2) down to the F peak. Because of the large volume of data an automated processing algorithm is imperative. The automatic topside ionogram scaler with true height algorithm TOPIST software developed for this task is successfully scaling approx.70 % of the ionograms. An 'editing process' is available to manually scale the more difficult ionograms. The automated processing of the digitized ISIS ionograms is now underway, producing a much-needed database of topside electron density profiles for ionospheric modeling covering more than one solar cycle. The ISIS data restoration efforts are supported through NASA's Applied Systems and Information Research Program.

  14. New options for IRI electron density in the middle ionosphere

    NASA Technical Reports Server (NTRS)

    Bilitza, Dieter; Rawer, Karl

    1990-01-01

    This paper reviews the present International Reference Ionosphere (IRI) model of electron density in the middle ionosphere and explores two new options for future editions of IRI. The first of these options is a better description of the bottomside thickness parameters, and the second is an analytical representation from E- to F2-peak using LAY-functions. For this analytical representation a table of standard parameters and constraints for the four LAY-functions recommended for IRI have been established.

  15. Surprising resistivity decrease in manganites with constant electronic density

    NASA Astrophysics Data System (ADS)

    Cortés-Gil, R.; Ruiz-González, M. L.; Alonso, J. M.; Martínez, J. L.; Hernando, A.; Vallet-Regí, M.; González-Calbet, J. M.

    2013-12-01

    A decrease of eight orders of magnitude in the resistance of (La0.5Ca0.5)zMnO3 has been detected when the electronic density is kept constant while the calcium content is modified by introducing cationic vacancies. This effect is related to the disappearance of the charge ordering state and the emergence of an antiferromagnetic-ferromagnetic transition. Moreover, high values of the colossal magnetoresistance above room temperature are attained. Dedicated to Professor J M Rojo.

  16. Halogen bonding: a study based on the electronic charge density.

    PubMed

    Amezaga, Nancy J Martinez; Pamies, Silvana C; Peruchena, Nélida M; Sosa, Gladis L

    2010-01-14

    Density functional theory (DFT) and atoms in molecules theory (AIM) were used to study the characteristic of the noncovalent interactions in complexes formed between Lewis bases (NH(3), H(2)O, and H(2)S) and Lewis acids (ClF, BrF, IF, BrCl, ICl, and IBr). In order to compare halogen and hydrogen bonds interactions, this study included hydrogen complexes formed by some Lewis bases and HF, HCl, and HBr Lewis acids. Ab initio, wave functions were generated at B3LYP/6-311++G(d,p) level with optimized structures at the same level. Criteria based on a topological analysis of the electron density were used in order to characterize the nature of halogen interactions in Lewis complexes. The main purpose of the present work is to provide an answer to the following questions: (a) why can electronegative atoms such as halogens act as bridges between two other electronegative atoms? Can a study based on the electron charge density answer this question? Considering this, we had performed a profound study of halogen complexes in the framework of the AIM theory. A good correlation between the density at the intermolecular bond critical point and the energy interaction was found. We had also explored the concentration and depletion of the charge density, displayed by the Laplacian topology, in the interaction zone and in the X-Y halogen donor bond. From the atomic properties, it was generally observed that the two halogen atoms gain electron population in response to its own intrinsic nature. Because of this fact, both atoms are energetically stabilized.

  17. A Unifying Probabilistic Bayesian Approach to Derive Electron Density from MRI for Radiation Therapy Treatment Planning

    PubMed Central

    Gudur, Madhu Sudhan Reddy; Hara, Wendy; Le, Quynh-Thu; Wang, Lei; Xing, Lei; Li, Ruijiang

    2014-01-01

    MRI significantly improves the accuracy and reliability of target delineation in radiation therapy for certain tumors due to its superior soft tissue contrast compared to CT. A treatment planning process with MRI as the sole imaging modality will eliminate systematic CT/MRI co-registration errors, reduce cost and radiation exposure, and simplify clinical workflow. However, MRI lacks the key electron density information necessary for accurate dose calculation and generating reference images for patient setup. The purpose of this work is to develop a unifying method to derive electron density from standard T1-weighted MRI. We propose to combine both intensity and geometry information into a unifying probabilistic Bayesian framework for electron density mapping. For each voxel, we compute two conditional probability density functions (PDFs) of electron density given its: (1) T1-weighted MRI intensity, and (2) geometry in a reference anatomy, obtained by deformable image registration between the MRI of the atlas and test patient. The two conditional PDFs containing intensity and geometry information are combined into a unifying posterior PDF, whose mean value corresponds to the optimal electron density value under the mean-square error criterion. We evaluated the algorithm's accuracy of electron density mapping and its ability to detect bone in the head for 8 patients, using an additional patient as the atlas or template. Mean absolute HU error between the estimated and true CT, as well as ROC's for bone detection (HU>200) were calculated. The performance was compared with a global intensity approach based on T1 and no density correction (set whole head to water). The proposed technique significantly reduced the errors in electron density estimation, with a mean absolute HU error of 126, compared with 139 for deformable registration (p=2×10-4), 283 for the intensity approach (p=2×10-6) and 282 without density correction (p=5×10-6). For 90% sensitivity in bone

  18. A unifying probabilistic Bayesian approach to derive electron density from MRI for radiation therapy treatment planning

    NASA Astrophysics Data System (ADS)

    Sudhan Reddy Gudur, Madhu; Hara, Wendy; Le, Quynh-Thu; Wang, Lei; Xing, Lei; Li, Ruijiang

    2014-11-01

    MRI significantly improves the accuracy and reliability of target delineation in radiation therapy for certain tumors due to its superior soft tissue contrast compared to CT. A treatment planning process with MRI as the sole imaging modality will eliminate systematic CT/MRI co-registration errors, reduce cost and radiation exposure, and simplify clinical workflow. However, MRI lacks the key electron density information necessary for accurate dose calculation and generating reference images for patient setup. The purpose of this work is to develop a unifying method to derive electron density from standard T1-weighted MRI. We propose to combine both intensity and geometry information into a unifying probabilistic Bayesian framework for electron density mapping. For each voxel, we compute two conditional probability density functions (PDFs) of electron density given its: (1) T1-weighted MRI intensity, and (2) geometry in a reference anatomy, obtained by deformable image registration between the MRI of the atlas and test patient. The two conditional PDFs containing intensity and geometry information are combined into a unifying posterior PDF, whose mean value corresponds to the optimal electron density value under the mean-square error criterion. We evaluated the algorithm’s accuracy of electron density mapping and its ability to detect bone in the head for eight patients, using an additional patient as the atlas or template. Mean absolute HU error between the estimated and true CT, as well as receiver operating characteristics for bone detection (HU > 200) were calculated. The performance was compared with a global intensity approach based on T1 and no density correction (set whole head to water). The proposed technique significantly reduced the errors in electron density estimation, with a mean absolute HU error of 126, compared with 139 for deformable registration (p = 2  ×  10-4), 283 for the intensity approach (p = 2  ×  10-6) and 282 without density

  19. A unifying probabilistic Bayesian approach to derive electron density from MRI for radiation therapy treatment planning.

    PubMed

    Gudur, Madhu Sudhan Reddy; Hara, Wendy; Le, Quynh-Thu; Wang, Lei; Xing, Lei; Li, Ruijiang

    2014-11-07

    MRI significantly improves the accuracy and reliability of target delineation in radiation therapy for certain tumors due to its superior soft tissue contrast compared to CT. A treatment planning process with MRI as the sole imaging modality will eliminate systematic CT/MRI co-registration errors, reduce cost and radiation exposure, and simplify clinical workflow. However, MRI lacks the key electron density information necessary for accurate dose calculation and generating reference images for patient setup. The purpose of this work is to develop a unifying method to derive electron density from standard T1-weighted MRI. We propose to combine both intensity and geometry information into a unifying probabilistic Bayesian framework for electron density mapping. For each voxel, we compute two conditional probability density functions (PDFs) of electron density given its: (1) T1-weighted MRI intensity, and (2) geometry in a reference anatomy, obtained by deformable image registration between the MRI of the atlas and test patient. The two conditional PDFs containing intensity and geometry information are combined into a unifying posterior PDF, whose mean value corresponds to the optimal electron density value under the mean-square error criterion. We evaluated the algorithm's accuracy of electron density mapping and its ability to detect bone in the head for eight patients, using an additional patient as the atlas or template. Mean absolute HU error between the estimated and true CT, as well as receiver operating characteristics for bone detection (HU > 200) were calculated. The performance was compared with a global intensity approach based on T1 and no density correction (set whole head to water). The proposed technique significantly reduced the errors in electron density estimation, with a mean absolute HU error of 126, compared with 139 for deformable registration (p = 2  ×  10(-4)), 283 for the intensity approach (p = 2  ×  10(-6)) and 282 without density

  20. Cutoff probe using Fourier analysis for electron density measurement

    SciTech Connect

    Na, Byung-Keun; You, Kwang-Ho; Kim, Dae-Woong; Chang, Hong-Young; You, Shin-Jae; Kim, Jung-Hyung

    2012-01-15

    This paper proposes a new method for cutoff probe using a nanosecond impulse generator and an oscilloscope, instead of a network analyzer. The nanosecond impulse generator supplies a radiating signal of broadband frequency spectrum simultaneously without frequency sweeping, while frequency sweeping method is used by a network analyzer in a previous method. The transmission spectrum (S21) was obtained through a Fourier analysis of the transmitted impulse signal detected by the oscilloscope and was used to measure the electron density. The results showed that the transmission frequency spectrum and the electron density obtained with a new method are very close to those obtained with a previous method using a network analyzer. And also, only 15 ns long signal was necessary for spectrum reconstruction. These results were also compared to the Langmuir probe's measurements with satisfactory results. This method is expected to provide not only fast measurement of absolute electron density, but also function in other diagnostic situations where a network analyzer would be used (a hairpin probe and an impedance probe) by replacing the network analyzer with a nanosecond impulse generator and an oscilloscope.

  1. Kinetic and electron-electron energies for convex sums of ground state densities with degeneracies and fractional electron number

    SciTech Connect

    Levy, Mel E-mail: mlevy@tulane.edu; Anderson, James S. M.; Zadeh, Farnaz Heidar; Ayers, Paul W. E-mail: mlevy@tulane.edu

    2014-05-14

    Properties of exact density functionals provide useful constraints for the development of new approximate functionals. This paper focuses on convex sums of ground-level densities. It is observed that the electronic kinetic energy of a convex sum of degenerate ground-level densities is equal to the convex sum of the kinetic energies of the individual degenerate densities. (The same type of relationship holds also for the electron-electron repulsion energy.) This extends a known property of the Levy-Valone Ensemble Constrained-Search and the Lieb Legendre-Transform refomulations of the Hohenberg-Kohn functional to the individual components of the functional. Moreover, we observe that the kinetic and electron-repulsion results also apply to densities with fractional electron number (even if there are no degeneracies), and we close with an analogous point-wise property involving the external potential. Examples where different degenerate states have different kinetic energy and electron-nuclear attraction energy are given; consequently, individual components of the ground state electronic energy can change abruptly when the molecular geometry changes. These discontinuities are predicted to be ubiquitous at conical intersections, complicating the development of universally applicable density-functional approximations.

  2. Weather Effects on the D-region Electron Density

    NASA Astrophysics Data System (ADS)

    Eccles, V.; Rice, D.; Sojka, J. J.; Hunsucker, R. D.; Raitt, W. J.

    2009-05-01

    Studies of D-region ionization are complicated by the low electron densities and the altitude range involved. The D-region bottom-side densities are less than 100 cm-3 and the D-region altitudes are inaccessible to most in-situ measurements. Available methods, such as sounding rockets and incoherent scatter radar, can provide detailed profiles for specific times and locations, but mesoscale characterization of D-region weather effects is difficult to obtain. Specifically the horizontal structuring of these densities and to which drivers they are most sensitive is unclear. The response of the D-region to solar inputs, background radiation sources, and wind transport from high latitudes needs to be better understood to improve both our understanding and modeling efforts. The Agile beacon monitor network measures signal strength from radio beacons from three important frequency ranges. The measurements in three frequency ranges, VLF (3-30kHz), LF (30-300 kHz), and HF (0.3-30 MHz), cooperatively help define the D region more precisely. The daytime D-region is perhaps best known for absorption of frequencies below 30 MHz. Measurements of radio signal absorption are useful in describing the D-region response to solar flares and the winter absorption anomaly. Description of the D- region bottom-side and nighttime D-region density requires a different methodology. VLF and LF propagation analysis is sensitive to densities in the 0.1 to 10 cm-3 range. Networks of receivers over these frequency ranges provide an approach for observing the horizontal spatial distribution of the lower D-region density. The D-region electron densities may be inferred by interpreting signal levels at VLF, LF, and HF using D-region models and propagation analysis. This paper describes how the model electron density profiles are modified to include weather effects. Variations are observed in day and night data even during the quietest solar conditions; some variations are consistent with

  3. Simple Fully Nonlocal Density Functionals for Electronic Repulsion Energy.

    PubMed

    Vuckovic, Stefan; Gori-Giorgi, Paola

    2017-07-06

    From a simplified version of the mathematical structure of the strong coupling limit of the exact exchange-correlation functional, we construct an approximation for the electronic repulsion energy at physical coupling strength, which is fully nonlocal. This functional is self-interaction free and yields energy densities within the definition of the electrostatic potential of the exchange-correlation hole that are locally accurate and have the correct asymptotic behavior. The model is able to capture strong correlation effects that arise from chemical bond dissociation, without relying on error cancellation. These features, which are usually missed by standard density functional theory (DFT) functionals, are captured by the highly nonlocal structure, which goes beyond the "Jacob's ladder" framework for functional construction, by using integrals of the density as the key ingredient. Possible routes for obtaining the full exchange-correlation functional by recovering the missing kinetic component of the correlation energy are also implemented and discussed.

  4. Hybrid additive manufacturing of 3D electronic systems

    NASA Astrophysics Data System (ADS)

    Li, J.; Wasley, T.; Nguyen, T. T.; Ta, V. D.; Shephard, J. D.; Stringer, J.; Smith, P.; Esenturk, E.; Connaughton, C.; Kay, R.

    2016-10-01

    A novel hybrid additive manufacturing (AM) technology combining digital light projection (DLP) stereolithography (SL) with 3D micro-dispensing alongside conventional surface mount packaging is presented in this work. This technology overcomes the inherent limitations of individual AM processes and integrates seamlessly with conventional packaging processes to enable the deposition of multiple materials. This facilitates the creation of bespoke end-use products with complex 3D geometry and multi-layer embedded electronic systems. Through a combination of four-point probe measurement and non-contact focus variation microscopy, it was identified that there was no obvious adverse effect of DLP SL embedding process on the electrical conductivity of printed conductors. The resistivity maintained to be less than 4  ×  10-4 Ω · cm before and after DLP SL embedding when cured at 100 °C for 1 h. The mechanical strength of SL specimens with thick polymerized layers was also identified through tensile testing. It was found that the polymerization thickness should be minimised (less than 2 mm) to maximise the bonding strength. As a demonstrator a polymer pyramid with embedded triple-layer 555 LED blinking circuitry was successfully fabricated to prove the technical viability.

  5. Diurnal and seasonal Variability of D-Region Electron Densities at 69°N

    NASA Astrophysics Data System (ADS)

    Singer, Werner; Rapp, Markus; Latteck, Ralph; Friedrich, Martin

    Electron densities of the lower ionosphere are estimated with the Saura MF Doppler radar since summer 2004. The radar is located near country-regioncountry-regionAndenes, countryregionNorway (69.3° N, 16.0° E) and operates at 3.17 MHz with a peak power of 116 kW. The narrow beam transmitting/receiving antenna consists of 29 crossed half-wave dipoles arranged as a Mills Cross resulting in a beam width of about 7° . Antenna and transceiver system provide high flexibility in beam forming as well as the capability forming beams with left and right circular polarization at alternate pulses. The experiment utilizes partial reflections of ordinary and extraordinary component waves from scatterers in the altitude range 50-90 km to estimate electron number densities from differential absorption (DAE) and differential phase (DPE) measurements. Height profiles are obtained between about 55 km and 90 km with a time resolution of 9 minutes and a height resolution of 1 km. The electron density profiles independently derived from DAE and DPE measurements are in remarkable good agreement. Electron number densities are given if the results of the DAE and DPE experiments are in agreement within a factor of two. We discuss the diurnal and seasonal variability of electron densities obtained at Andenes and the response of D-region electron densities to solar activity storms and geomagnetic disturbances. The radar results are compared with previous rocket-borne radio wave propagation measurements at Andenes as well as with recent co-located simultaneous insitu observations using radio wave propagation experiments (differential absorption and Faraday rotation) which showed good agreement between the two techniques. In addition, monthly mean electron densities obtained with the MF radar are compared the recent dedicated auroral-zone, empirical model IMAZ.

  6. Electron intracule densities with correct electron coalescence cusps from Hiller-Sucher-Feinberg-type identities

    NASA Astrophysics Data System (ADS)

    Cioslowski, Jerzy; Stefanov, Boris B.; Tan, Agnes; Umrigar, C. J.

    1995-10-01

    Identities for the electron intracule density I(R) in atoms and molecules are derived within the Hiller-Sucher-Feinberg (HSF) formalism. It is proven that, when applied to arbitrary (exact or approximate) electronic wave functions, these identities produce intracule densities that satisfy a modified condition for the electron coalescence cusp. A corollary of this proof provides a new, simplified derivation of the cusp condition for the exact I(R). An expression for the Hartree-Fock approximation to the HSF electron intracule density that contains only two- and three-electron terms is obtained and its properties are analyzed. A simple scaling of the three-electron contributions in this expression assures integrability of the approximate I(R) and improves its overall accuracy. Numerical tests carried out for the H-, He, Li+, Be2+, Li, and Be systems demonstrate that the application of the scaled HSF-type identity to Hartree-Fock wave functions affords dramatic improvements in the short-range behavior of the electron intracule density.

  7. Bayesian electron density inference from JET lithium beam emission spectra using Gaussian processes

    NASA Astrophysics Data System (ADS)

    Kwak, Sehyun; Svensson, J.; Brix, M.; Ghim, Y.-C.; Contributors, JET

    2017-03-01

    A Bayesian model to infer edge electron density profiles is developed for the JET lithium beam emission spectroscopy (Li-BES) system, measuring Li I (2p-2s) line radiation using 26 channels with  ∼1 cm spatial resolution and 10∼ 20 ms temporal resolution. The density profile is modelled using a Gaussian process prior, and the uncertainty of the density profile is calculated by a Markov Chain Monte Carlo (MCMC) scheme. From the spectra measured by the transmission grating spectrometer, the Li I line intensities are extracted, and modelled as a function of the plasma density by a multi-state model which describes the relevant processes between neutral lithium beam atoms and plasma particles. The spectral model fully takes into account interference filter and instrument effects, that are separately estimated, again using Gaussian processes. The line intensities are inferred based on a spectral model consistent with the measured spectra within their uncertainties, which includes photon statistics and electronic noise. Our newly developed method to infer JET edge electron density profiles has the following advantages in comparison to the conventional method: (i) providing full posterior distributions of edge density profiles, including their associated uncertainties, (ii) the available radial range for density profiles is increased to the full observation range (∼26 cm), (iii) an assumption of monotonic electron density profile is not necessary, (iv) the absolute calibration factor of the diagnostic system is automatically estimated overcoming the limitation of the conventional technique and allowing us to infer the electron density profiles for all pulses without preprocessing the data or an additional boundary condition, and (v) since the full spectrum is modelled, the procedure of modulating the beam to measure the background signal is only necessary for the case of overlapping of the Li I line with impurity lines.

  8. Time-resolved electron density and electron temperature measurements in nanosecond pulse discharges in helium

    NASA Astrophysics Data System (ADS)

    Roettgen, A.; Shkurenkov, I.; Simeni Simeni, M.; Petrishchev, V.; Adamovich, I. V.; Lempert, W. R.

    2016-10-01

    Thomson scattering is used to study temporal evolution of electron density and electron temperature in nanosecond pulse discharges in helium sustained in two different configurations, (i) diffuse filament discharge between two spherical electrodes, and (ii) surface discharge over plane quartz surface. In the diffuse filament discharge, the experimental results are compared with the predictions of a 2D plasma fluid model. Electron densities are put on an absolute scale using pure rotational Raman spectra in nitrogen, taken without the plasma, for calibration. In the diffuse filament discharge, electron density and electron temperature increase rapidly after breakdown, peaking at n e  ≈  3.5 · 1015 cm-3 and T e  ≈  4.0 eV. After the primary discharge pulse, both electron density and electron temperature decrease (to n e ~ 1014 cm-3 over ~1 µs and to T e ~ 0.5 eV over ~200 ns), with a brief transient rise produced by the secondary discharge pulse. At the present conditions, the dominant recombination mechanism is dissociative recombination of electrons with molecular ions, \\text{He}2+ . In the afterglow, the electron temperature does not relax to gas temperature, due to superelastic collisions. Electron energy distribution functions (EEDFs) inferred from the Thomson scattering spectra are nearly Maxwellian, which is expected at high ionization fractions, when the shape of EEDF is controlled primarily by electron-electron collisions. The kinetic model predictions agree well with the temporal trends detected in the experiment, although peak electron temperature and electron density are overpredicted. Heavy species temperature predicted during the discharge and the early afterglow remains low and does not exceed T  =  400 K, due to relatively slow quenching of metastable He* atoms in two-body and three-body processes. In the surface discharge, peak electron density and electron temperature are n e  ≈  3 · 1014 cm3 and T e

  9. Electronic density of states in sequence dependent DNA molecules

    NASA Astrophysics Data System (ADS)

    de Oliveira, B. P. W.; Albuquerque, E. L.; Vasconcelos, M. S.

    2006-09-01

    We report in this work a numerical study of the electronic density of states (DOS) in π-stacked arrays of DNA single-strand segments made up from the nucleotides guanine G, adenine A, cytosine C and thymine T, forming a Rudin-Shapiro (RS) as well as a Fibonacci (FB) polyGC quasiperiodic sequences. Both structures are constructed starting from a G nucleotide as seed and following their respective inflation rules. Our theoretical method uses Dyson's equation together with a transfer-matrix treatment, within an electronic tight-binding Hamiltonian model, suitable to describe the DNA segments modelled by the quasiperiodic chains. We compared the DOS spectra found for the quasiperiodic structure to those using a sequence of natural DNA, as part of the human chromosome Ch22, with a remarkable concordance, as far as the RS structure is concerned. The electronic spectrum shows several peaks, corresponding to localized states, as well as a striking self-similar aspect.

  10. Electron density power spectrum in the local interstellar medium

    NASA Technical Reports Server (NTRS)

    Armstrong, J. W.; Rickett, B. J.; Spangler, S. R.

    1995-01-01

    Interstellar scintillation (ISS), fluctuations in the amplitude and phase of radio waves caused by scattering in the interstellar medium, is important as a diagnostic of interstellar plasma turbulence. ISS is also of interest because it is noise for other radio astronomical observations. The unifying concern is the power spectrum of the interstellar electron density. Here we use ISS observations through the nearby (less than or approximately =1 kpc) (ISM) to estimate the spectrum. From measurements of angular broadening of pulsars and extragalactic sources, decorrelation bandwidth of pulsars, refractive steering of features in pulsar dynamic spectra, dispersion measured fluctuations of pulsars, and refractive scintillation index measurements, we construct a composite structure function that is approximately power law over 2 x 10(exp 6) m less than scale less than 10(exp 13) m. The data are consistent with the structure function having a logarithmic slope versus baseline less than 2; thus there is a meaningful connection between scales in the radiowave fluctuation field and the scales in the electron density field causing the scattering. The data give an upper limit to the inner scale, l(sub o) less than or approximately 10(exp 8) m and are consistent with much smaller values. We construct a composite electron density spectrum that is approximately power law over at least the approximately = 5 decade wavenumber range 10(exp -13)/m less than wavenumber less than 10(exp -8)/m and that may extend to higher wavenumbers. The average spectral index of electron density over this wavenumber range is approximately = 3.7, very close to the value expected for a Kolmogorov process. The outer scale size, L(sub o), must be greater than or approximately = 10(exp 13) m (determined from dispersion measure fluctuations). When the ISS data are combined with measurements of differential Faraday rotation angle, and gradients in the average electron density, constraints can be put on the

  11. Electron density power spectrum in the local interstellar medium

    NASA Technical Reports Server (NTRS)

    Armstrong, J. W.; Rickett, B. J.; Spangler, S. R.

    1995-01-01

    Interstellar scintillation (ISS), fluctuations in the amplitude and phase of radio waves caused by scattering in the interstellar medium, is important as a diagnostic of interstellar plasma turbulence. ISS is also of interest because it is noise for other radio astronomical observations. The unifying concern is the power spectrum of the interstellar electron density. Here we use ISS observations through the nearby (less than or approximately =1 kpc) (ISM) to estimate the spectrum. From measurements of angular broadening of pulsars and extragalactic sources, decorrelation bandwidth of pulsars, refractive steering of features in pulsar dynamic spectra, dispersion measured fluctuations of pulsars, and refractive scintillation index measurements, we construct a composite structure function that is approximately power law over 2 x 10(exp 6) m less than scale less than 10(exp 13) m. The data are consistent with the structure function having a logarithmic slope versus baseline less than 2; thus there is a meaningful connection between scales in the radiowave fluctuation field and the scales in the electron density field causing the scattering. The data give an upper limit to the inner scale, l(sub o) less than or approximately 10(exp 8) m and are consistent with much smaller values. We construct a composite electron density spectrum that is approximately power law over at least the approximately = 5 decade wavenumber range 10(exp -13)/m less than wavenumber less than 10(exp -8)/m and that may extend to higher wavenumbers. The average spectral index of electron density over this wavenumber range is approximately = 3.7, very close to the value expected for a Kolmogorov process. The outer scale size, L(sub o), must be greater than or approximately = 10(exp 13) m (determined from dispersion measure fluctuations). When the ISS data are combined with measurements of differential Faraday rotation angle, and gradients in the average electron density, constraints can be put on the

  12. Equation satisfied by the energy-density functional for electron-electron mutual Coulomb repulsion

    SciTech Connect

    Joubert, Daniel P.

    2011-10-15

    It is shown that the electron-electron mutual Coulomb repulsion energy-density functional V{sub ee}{sup {gamma}}[{rho}] satisfies the equationV{sub ee}{sup {gamma}}[{rho}{sub N}{sup 1}]-V{sub ee}{sup {gamma}}[{rho}{sub N-1}{sup {gamma}}]={integral}d{sup 3}r({delta}V{sub ee}{sup {gamma}}[{rho}{sub N}{sup 1}]/{delta}{rho}{sub N}{sup 1}(r))[{rho}{sub N}{sup 1}(r)-{rho}{sub N-1}{sup {gamma}}(r)], where {rho}{sub N}{sup 1}(r) and {rho}{sub N-1}{sup {gamma}}(r) are N-electron and (N-1)-electron densities determined from the same adiabatic scaled external potential of the N-electron system at coupling strength {gamma}.

  13. Damping of Electron Density Structures and Implications for Interstellar Scintillation

    NASA Astrophysics Data System (ADS)

    Smith, K. W.; Terry, P. W.

    2011-04-01

    The forms of electron density structures in kinetic Alfvén wave (KAW) turbulence are studied in connection with scintillation. The focus is on small scales L ~ 108-1010 cm where the KAW regime is active in the interstellar medium, principally within turbulent H II regions. Scales at 10 times the ion gyroradius and smaller are inferred to dominate scintillation in the theory of Boldyrev et al. From numerical solutions of a decaying KAW turbulence model, structure morphology reveals two types of localized structures, filaments and sheets, and shows that they arise in different regimes of resistive and diffusive damping. Minimal resistive damping yields localized current filaments that form out of Gaussian-distributed initial conditions. When resistive damping is large relative to diffusive damping, sheet-like structures form. In the filamentary regime, each filament is associated with a non-localized magnetic and density structure, circularly symmetric in cross section. Density and magnetic fields have Gaussian statistics (as inferred from Gaussian-valued kurtosis) while density gradients are strongly non-Gaussian, more so than current. This enhancement of non-Gaussian statistics in a derivative field is expected since gradient operations enhance small-scale fluctuations. The enhancement of density gradient kurtosis over current kurtosis is not obvious, yet it suggests that modest density fluctuations may yield large scintillation events during pulsar signal propagation. In the sheet regime the same statistical observations hold, despite the absence of localized filamentary structures. Probability density functions are constructed from statistical ensembles in both regimes, showing clear formation of long, highly non-Gaussian tails.

  14. Results of Ionospheric Heating Experiments Involving an Enhancement in Electron Density in the High Latitude Ionosphere

    NASA Astrophysics Data System (ADS)

    Wu, Jun; Wu, Jian; Xu, Zhengwen

    2016-09-01

    Observations are presented of the phenomenon of the enhancement in electron density and temperature that is caused by a powerful pump wave at a frequency near the fifth gyrofrequency. The observations show that the apparent enhancement in electron density extending over a wide altitude range and the enhancement in electron temperature around the reflection altitude occur as a function of pump frequency. Additionally, the plasma line spectra show unusual behavior as a function of pump frequency. In conclusion, the upper hybrid wave resonance excited by the pump wave plays a dominating role and leads to the enhancement in electron temperature at the upper hybrid altitude. The phenomenon of apparent enhancement in electron density does not correspond to the true enhancement in electron density, this may be due to some mechanism that preferentially involves the plasma transport process and leads to the strong backscatter of radar wave along the magnetic line, which remains to be determined. supported by National Natural Science Foundation of China (No. 40831062)

  15. Electron density and electron temperature measurement in a bi-Maxwellian electron distribution using a derivative method of Langmuir probes

    SciTech Connect

    Choi, Ikjin; Chung, ChinWook; Youn Moon, Se

    2013-08-15

    In plasma diagnostics with a single Langmuir probe, the electron temperature T{sub e} is usually obtained from the slope of the logarithm of the electron current or from the electron energy probability functions of current (I)-voltage (V) curve. Recently, Chen [F. F. Chen, Phys. Plasmas 8, 3029 (2001)] suggested a derivative analysis method to obtain T{sub e} by the ratio between the probe current and the derivative of the probe current at a plasma potential where the ion current becomes zero. Based on this method, electron temperatures and electron densities were measured and compared with those from the electron energy distribution function (EEDF) measurement in Maxwellian and bi-Maxwellian electron distribution conditions. In a bi-Maxwellian electron distribution, we found the electron temperature T{sub e} obtained from the method is always lower than the effective temperatures T{sub eff} derived from EEDFs. The theoretical analysis for this is presented.

  16. The Electron Density in Explosive Transition Region Events Observed by IRIS

    NASA Astrophysics Data System (ADS)

    Doschek, G. A.; Warren, H. P.; Young, P. R.

    2016-11-01

    We discuss the intensity ratio of the O iv line at 1401.16 Å to the Si iv line at 1402.77 Å in Interface Region Imaging Spectrograph (IRIS) spectra. This intensity ratio is important if it can be used to measure high electron densities that cannot be measured using line intensity ratios of two different O iv lines from the multiplet within the IRIS wavelength range. Our discussion is in terms of considerably earlier observations made from the Skylab manned space station and other spectrometers on orbiting spacecraft. The earlier data on the O iv and Si iv ratio and other intersystem line ratios not available to IRIS are complementary to IRIS data. In this paper, we adopt a simple interpretation based on electron density. We adopt a set of assumptions and calculate the electron density as a function of velocity in the Si iv line profiles of two explosive events. At zero velocity the densities are about 2-3 × 1011 cm-3, and near 200 km s-1 outflow speed the densities are about 1012 cm-3. The densities increase with outflow speed up to about 150 km s-1 after which they level off. Because of the difference in the temperature of formation of the two lines and other possible effects such as non-ionization equilibrium, these density measurements do not have the precision that would be available if there were some additional lines near the formation temperature of O iv.

  17. Density-dependent electron transport and precise modeling of GaN high electron mobility transistors

    SciTech Connect

    Bajaj, Sanyam Shoron, Omor F.; Park, Pil Sung; Krishnamoorthy, Sriram; Akyol, Fatih; Hung, Ting-Hsiang; Reza, Shahed; Chumbes, Eduardo M.; Khurgin, Jacob; Rajan, Siddharth

    2015-10-12

    We report on the direct measurement of two-dimensional sheet charge density dependence of electron transport in AlGaN/GaN high electron mobility transistors (HEMTs). Pulsed IV measurements established increasing electron velocities with decreasing sheet charge densities, resulting in saturation velocity of 1.9 × 10{sup 7 }cm/s at a low sheet charge density of 7.8 × 10{sup 11 }cm{sup −2}. An optical phonon emission-based electron velocity model for GaN is also presented. It accommodates stimulated longitudinal optical (LO) phonon emission which clamps the electron velocity with strong electron-phonon interaction and long LO phonon lifetime in GaN. A comparison with the measured density-dependent saturation velocity shows that it captures the dependence rather well. Finally, the experimental result is applied in TCAD-based device simulator to predict DC and small signal characteristics of a reported GaN HEMT. Good agreement between the simulated and reported experimental results validated the measurement presented in this report and established accurate modeling of GaN HEMTs.

  18. Reduction of electron density in a plasma by injection of liquids

    NASA Technical Reports Server (NTRS)

    Sodha, M. S.; Evans, J. S.

    1974-01-01

    In this paper, the authors have investigated the physics of various processes relevant to the reduction of electron density in a plasma by addition of water droplets; two processes have in particular been analyzed in some detail, viz, the electron attachment to charged dielectric droplets and the emission of negative ions by vaporization from these droplets. The results of these analyses have been applied to a study of the kinetics of reduction of electron density and charging of droplets in an initially overionized plasma, after addition of water droplets. A number of simplifying assumptions including uniform size and charge on droplets and negligible change in the radius of the droplet due to evaporation have been made.

  19. Topological analysis of the electronic charge density in the ethene protonation reaction catalyzed by acidic zeolite.

    PubMed

    Zalazar, M Fernanda; Peruchena, Nélida M

    2007-08-16

    In the present work, the distribution of the electronic charge density in the ethene protonation reaction by a zeolite acid site is studied within the framework of the density functional theory and the atoms in molecules (AIM) theory. The key electronic effects such as topological distribution of the charge density involved in the reaction are presented and discussed. The results are obtained at B3LYP/6-31G(**) level theory. Attention is focused on topological parameters such as electron density, its Laplacian, kinetic energy density, potential energy density, and electronic energy density at the bond critical points (BCP) in all bonds involved in the interaction zone, in the reactants, pi-complex, transition state, and alkoxy product. In addition, the topological atomic properties are determined on the selected atoms in the course of the reaction (average electron population, N(Omega), atomic net charge, q(Omega), atomic energy, E(Omega), atomic volume, v(Omega), and first moment of the atomic charge distribution, M(Omega)) and their changes are analyzed exhaustively. The topological study clearly shows that the ethene interaction with the acid site of the zeolite cluster, T5-OH, in the ethene adsorbed, is dominated by a strong O-H...pi interaction with some degree of covalence. AIM analysis based on DFT calculation for the transition state (TS) shows that the hydrogen atom from the acid site in the zeolitic fragment is connected to the carbon atom by a covalent bond with some contribution of electrostatic interaction and to the oxygen atom by closed shell interaction with some contribution of covalent character. The C-O bond formed in the alkoxy product can be defined as a weaker shared interaction. Our results show that in the transition state, the dominant interactions are partially electrostatic and partially covalent in nature, in which the covalent contribution increases as the concentration and accumulation of the charge density along the bond path between

  20. Deriving large electron temperatures and small electron densities with the Cassini Langmuir probe at Saturn

    NASA Astrophysics Data System (ADS)

    Garnier, Philippe; Wahlund, Jan-Erik; Holmberg, Mika; Lewis, Geraint; Schippers, Patricia; Rochel Grimald, Sandrine; Gurnett, Donald; Coates, Andrew; Dandouras, Iannis; Waite, Hunter

    2014-05-01

    The Langmuir Probes (LPs) are commonly used to investigate the cold plasma characteristics in planetary ionospheres/magnetospheres. The LPs performances are limited to low temperatures (i.e. below 5-10 eV at Saturn) and large densities (above several particles/cm3). A strong sensitivity of the Cassini LP measurements to energetic electrons (hundreds eV) may however be observed at Saturn in the L Shell range L=6-10 RS. These electrons impact the surface of the probe and generate a detectable current of secondary electrons. We investigate the influence of such electrons on the current-voltage (I-V) characteristics (for negative potentials), and manage to reproduce the observations with a reasonable precision through empirical and theoretical methods. Conversely, the modelling allows us to derive useful information about the energetic electrons from the LP observations : some information about their pitch angle anisotropy (if combined with the data from a single CAPS ELS anode), as well as an estimate of the electron temperature (in the range 100-300 eV) and of the electron density (above 0.1 particles/cm3). This enlarges the LP measurements capabilities when the influence of the energetic electrons is large (essentially near L=6-10 RS at Saturn). We finally show that a significant influence of the energetic electrons (larger than the contribution of thermal ions) is also expected in various plasma environments of the Solar System, such as at Jupiter (i.e near Ganymede, Europa, Callisto and Io), or even at Earth (in the plasmasheet, the magnetosheath or in plasma cavities). Large electron temperatures and small electron densities could potentially be derived in these environments, which may be of interest for Langmuir Probes in the Earth magnetosphere or onboard the future JUICE mission at Jupiter.

  1. Estimations of electron densities and temperatures in He-3 dominated plasmas. [in nuclear pumped lasers

    NASA Technical Reports Server (NTRS)

    Depaola, B. D.; Marcum, S. D.; Wrench, H. K.; Whitten, B. L.; Wells, W. E.

    1979-01-01

    It is very useful to have a method of estimation for electron temperature and electron densities in nuclear pumped plasmas because measurements of such quantities are very difficult. This paper describes a method, based on rate equation analysis of the ionized species in the plasma and the electron energy balance. In addition to the ionized species, certain neutral species must also be calculated. Examples are given for pure helium and a mixture of helium and argon. In the HeAr case, He(+), He2(+), He/2 3S/, Ar(+), Ar2(+), and excited Ar are evaluated.

  2. Electron densities and alkali atoms in exoplanet atmospheres

    SciTech Connect

    Lavvas, P.; Koskinen, T.; Yelle, R. V.

    2014-11-20

    We describe a detailed study on the properties of alkali atoms in extrasolar giant planets, and specifically focus on their role in generating the atmospheric free electron densities, as well as their impact on the transit depth observations. We focus our study on the case of HD 209458b, and we show that photoionization produces a large electron density in the middle atmosphere that is about two orders of magnitude larger than the density anticipated from thermal ionization. Our purely photochemical calculations, though, result in a much larger transit depth for K than observed for this planet. This result does not change even if the roles of molecular chemistry and excited state chemistry are considered for the alkali atoms. In contrast, the model results for the case of exoplanet XO-2b are in good agreement with the available observations. Given these results we discuss other possible scenarios, such as changes in the elemental abundances, changes in the temperature profiles, and the possible presence of clouds, which could potentially explain the observed HD 209458b alkali properties. We find that most of these scenarios cannot explain the observations, with the exception of a heterogeneous source (i.e., clouds or aerosols) under specific conditions, but we also note the discrepancies among the available observations.

  3. Voyager observations of Saturnian ion and electron phase space densities

    SciTech Connect

    Armstrong, T.P.; Paonessa, M.T.; Bell, E.V. II; Krimigis, S.M.

    1983-11-01

    Voyager 1 and 2 low-energy charged particle (LECP) observations of 30-keV to 2-MeV electron and ion energy spectra and angular distributions have been used to calculate phase space densities at constant first and second adiabatic invariant in the Saturnian magnetosphere. The results are generally consistent with inward radial diffusion from a external source. The data obtained also indicate a source of ions located within the orbital distance of enceladus capable of producing 10-to 40-MeV/Gauss ions as well as a source of electrons at about 3.5 R/sub S/ which produces particles at 100 to 200 MeV/Gauss. Higher magnetic moment (200--400 MeV/Gauss) ions extend from the sunward boundary between a plasma mantle and the region of durable trapping at R/sub S/: the behavior of the phase space density suggests inward diffusion of these particles from a source at the boundary. The identification of sources of low (10 to 200 MeV/Gauss) magnetic moment particles deep in the Saturnian magnetosphere is a new result of this work. Several analyses of the observed phase space densities in terms of time-independent radial diffusion are presented.

  4. FINDMOL: automated identification of macromolecules in electron-density maps.

    PubMed

    McKee, E W; Kanbi, L D; Childs, K L; Grosse-Kunstleve, R W; Adams, P D; Sacchettini, J C; Ioerger, T R

    2005-11-01

    Automating the determination of novel macromolecular structures via X-ray crystallographic methods involves building a model into an electron-density map. Unfortunately, the conventional crystallographic asymmetric unit volumes are usually not well matched to the biological molecular units. In most cases, the facets of the asymmetric unit cut the molecules into a number of disconnected fragments, rendering interpretation by the crystallographer significantly more difficult. The FINDMOL algorithm is designed to quickly parse the arrangement of trace points (pseudo-atoms) derived from a skeletonized electron-density map without requiring higher level prior information such as sequence information or number of molecules in the asymmetric unit. The algorithm was tested with a variety of density-modified maps computed with medium- to low-resolution data. Typically, the resulting volume resembles the biological unit. In the remaining cases the number of disconnected fragments is very small. In all examples, secondary-structural elements such as alpha-helices or beta-sheets are easily identifiable in the defragmented arrangement. FINDMOL can greatly assist a crystallographer during manual model building or in cases where automatic model building can only build partial models owing to limitations of the data such as low resolution and/or poor phases.

  5. Density fitting for three-electron integrals in explicitly correlated electronic structure theory

    SciTech Connect

    Womack, James C.; Manby, Frederick R.

    2014-01-28

    The principal challenge in using explicitly correlated wavefunctions for molecules is the evaluation of nonfactorizable integrals over the coordinates of three or more electrons. Immense progress was made in tackling this problem through the introduction of a single-particle resolution of the identity. Decompositions of sufficient accuracy can be achieved, but only with large auxiliary basis sets. Density fitting is an alternative integral approximation scheme, which has proven to be very reliable for two-electron integrals. Here, we extend density fitting to the treatment of all three-electron integrals that appear at the MP2-F12/3*A level of theory. We demonstrate that the convergence of energies with respect to auxiliary basis size is much more rapid with density fitting than with the traditional resolution-of-the-identity approach.

  6. Electron density measurements during the NLC-91 campaign

    NASA Technical Reports Server (NTRS)

    Ulwick, J. C.; Kelley, Michael C.; Alcala, C.

    1994-01-01

    A Super Arcas rocket, MISTI B, containing DC and RF probes, was launched as a part of the PMSE (Polar Mesosphere Summer Echoes) Salvo during the NLC-91 (Noctilucent Cloud) campaign to measure electron density irregularities with high spatial resolution. Measurements of large and small scale structures in the electron density were made on rocket ascent and descent at the altitudes of 86.5 and 88.5 +/- 0.5 km corresponding to the two altitudes of strongest backscatter recorded by the nearby CUPRI (Cornell University Portable Radar Interferometer) radar. Power spectra of the fluctuations shows two different structuring and scattering mechanisms exist at altitudes only 1 km apart. Since the rocket apogee was 89 km, the rocket was in the height range 88.5 +/- 0.5 km for 30 seconds giving an unusual measurement of horizontal structure over a distance of 5.5 km. Using the simultaneous DC and RF probe measurements of electron depletions and sharp gradient in the lower layer, the role of aerosols in creating these depletions and gradients is speculated upon.

  7. Electron density measurements during the NLC-91 campaign

    NASA Technical Reports Server (NTRS)

    Ulwick, J. C.; Kelley, Michael C.; Alcala, C.

    1994-01-01

    A Super Arcas rocket, MISTI B, containing DC and RF probes, was launched as a part of the PMSE (Polar Mesosphere Summer Echoes) Salvo during the NLC-91 (Noctilucent Cloud) campaign to measure electron density irregularities with high spatial resolution. Measurements of large and small scale structures in the electron density were made on rocket ascent and descent at the altitudes of 86.5 and 88.5 +/- 0.5 km corresponding to the two altitudes of strongest backscatter recorded by the nearby CUPRI (Cornell University Portable Radar Interferometer) radar. Power spectra of the fluctuations shows two different structuring and scattering mechanisms exist at altitudes only 1 km apart. Since the rocket apogee was 89 km, the rocket was in the height range 88.5 +/- 0.5 km for 30 seconds giving an unusual measurement of horizontal structure over a distance of 5.5 km. Using the simultaneous DC and RF probe measurements of electron depletions and sharp gradient in the lower layer, the role of aerosols in creating these depletions and gradients is speculated upon.

  8. Photoionization in micelles: Addition of charged electron acceptors

    NASA Astrophysics Data System (ADS)

    Stenland, Chris; Kevan, Larry

    The relative photoyield of the electron donor N, N, N', N'-tetramethylbenzidine (TMB), solubilized in sodium and lithium dodecyl sulfate micelles with added charged electron acceptors was investigated. It was attempted to control the acceptor distance from a charged micellar interface by differently charged acceptors, cationic dimethyl viologen and anionic ferricyanide. However, back electron transfer from both cationic and anionic acceptors was found to be efficient. Thus simple electrostatic arguments for control of the photoyield do not seem applicable. Salt effects associated with the added ionic acceptors which partially neutralize the ionic micellar interface are suggested to be an important factor.

  9. Automated Processing of ISIS Topside Ionograms into Electron Density Profiles

    NASA Technical Reports Server (NTRS)

    Reinisch, bodo W.; Huang, Xueqin; Bilitza, Dieter; Hills, H. Kent

    2004-01-01

    Modeling of the topside ionosphere has for the most part relied on just a few years of data from topside sounder satellites. The widely used Bent et al. (1972) model, for example, is based on only 50,000 Alouette 1 profiles. The International Reference Ionosphere (IRI) (Bilitza, 1990, 2001) uses an analytical description of the graphs and tables provided by Bent et al. (1972). The Alouette 1, 2 and ISIS 1, 2 topside sounder satellites of the sixties and seventies were ahead of their times in terms of the sheer volume of data obtained and in terms of the computer and software requirements for data analysis. As a result, only a small percentage of the collected topside ionograms was converted into electron density profiles. Recently, a NASA-funded data restoration project has undertaken and is continuing the process of digitizing the Alouette/ISIS ionograms from the analog 7-track tapes. Our project involves the automated processing of these digital ionograms into electron density profiles. The project accomplished a set of important goals that will have a major impact on understanding and modeling of the topside ionosphere: (1) The TOPside Ionogram Scaling and True height inversion (TOPIST) software was developed for the automated scaling and inversion of topside ionograms. (2) The TOPIST software was applied to the over 300,000 ISIS-2 topside ionograms that had been digitized in the fkamework of a separate AISRP project (PI: R.F. Benson). (3) The new TOPIST-produced database of global electron density profiles for the topside ionosphere were made publicly available through NASA s National Space Science Data Center (NSSDC) ftp archive at . (4) Earlier Alouette 1,2 and ISIS 1, 2 data sets of electron density profiles from manual scaling of selected sets of ionograms were converted fiom a highly-compressed binary format into a user-friendly ASCII format and made publicly available through nssdcftp.gsfc.nasa.gov. The new database for the topside

  10. The effective density of randomly moving electrons and related characteristics of materials with degenerate electron gas

    SciTech Connect

    Palenskis, V.

    2014-04-15

    Interpretation of the conductivity of metals, of superconductors in the normal state and of semiconductors with highly degenerate electron gas remains a significant issue if consideration is based on the classical statistics. This study is addressed to the characterization of the effective density of randomly moving electrons and to the evaluation of carrier diffusion coefficient, mobility, and other parameters by generalization of the widely published experimental results. The generalized expressions have been derived for various kinetic parameters attributed to the non-degenerate and degenerate electron gas, by analyzing a random motion of the single type carriers in homogeneous materials. The values of the most important kinetic parameters for different metals are also systematized and discussed. It has been proved that Einstein's relation between the diffusion coefficient and the drift mobility of electrons is held for any level of degeneracy if the effective density of randomly moving carriers is properly taken into account.

  11. Communication: Investigation of the electron momentum density distribution of nanodiamonds by electron energy-loss spectroscopy

    SciTech Connect

    Feng, Zhenbao; Yang, Bing; Lin, Yangming; Su, Dangsheng

    2015-12-07

    The electron momentum distribution of detonation nanodiamonds (DND) was investigated by recording electron energy-loss spectra at large momentum transfer in the transmission electron microscope (TEM), which is known as electron Compton scattering from solid (ECOSS). Compton profile of diamond film obtained by ECOSS was found in good agreement with prior photon experimental measurement and theoretical calculation that for bulk diamond. Compared to the diamond film, the valence Compton profile of DND was found to be narrower, which indicates a more delocalization of the ground-state charge density for the latter. Combining with other TEM characterizations such as high-resolution transmission electron spectroscopy, diffraction, and energy dispersive X-ray spectroscopy measurements, ECOSS was shown to be a great potential technique to study ground-state electronic properties of nanomaterials.

  12. Electron density profiles from ionograms - Comparisons with rocket profiles.

    NASA Technical Reports Server (NTRS)

    Wright, J. W.; Paul, A. K.

    1973-01-01

    From a series of ten rocket flights at Wallops Island conducted by the University of Illinois, detailed electron density profiles are available in the altitude range 60-120 km. Concurrent ionograms from a nearby conventional ionosonde of good sensitivity and precision, have been reduced to N(h) profiles by the NOAA methods. Special attention is given to the needs for accurate ionosonde calibration, proper ionogram interpretation, and corrections for underlying ionization, 'valley' ionization, and effects of lateral-gradients. Proper corrections in the present cases yield profiles by ionogram inversion which agree to within a few percent in density, and a few hundred meters or less in height, with the rocket results.

  13. Influence of the Target - Density Effects on Electron - Capture Processes

    SciTech Connect

    Tolstikhina, I.Yu.; Shevelko, V.P.

    2004-12-01

    The influence of the target density on the electron-capture (EC) processes in collisions of fast ions with atoms and molecules is considered. The partial EC cross sections {sigma}n on the principal quantum number n of the scattered projectile, as well as the total {sigma}tot values are calculated for highly charged ions interacting with gaseous and solid targets in the energy range of E = 100 keV/amu to 10 MeV/amu. It is shown that with the target density increasing, the population of the excited states of the scattered projectiles, formed via the EC channel, is suppressed due to projectile ionization by the target particles and, as a result, the effective EC cross sections drastically decrease.

  14. Electron density and electron temperature measurements in nanosecond pulse discharges over liquid water surface

    NASA Astrophysics Data System (ADS)

    Simeni Simeni, M.; Roettgen, A.; Petrishchev, V.; Frederickson, K.; Adamovich, I. V.

    2016-12-01

    Time-resolved electron density, electron temperature, and gas temperature in nanosecond pulse discharges in helium and O2-He mixtures near liquid water surface are measured using Thomson/pure rotational Raman scattering, in two different geometries, (a) ‘diffuse filament’ discharge between a spherical high-voltage electrode and a grounded pin electrode placed in a reservoir filled with distilled water, with the tip exposed, and (b) dielectric barrier discharge between the high-voltage electrode and the liquid water surface. A diffuse plasma filament generated between the electrodes in helium during the primary discharge pulse exhibits noticeable constriction during the secondary discharge pulse several hundred ns later. Adding oxygen to the mixture reduces the plasma filament diameter and enhances constriction during the secondary pulse. In the dielectric barrier discharge, diffuse volumetric plasma occupies nearly the entire space between the high voltage electrode and the liquid surface, and extends radially along the surface. In the filament discharge in helium, adding water to the container results in considerable reduction of plasma lifetime compared to the discharge in dry helium, by about an order of magnitude, indicating rapid electron recombination with water cluster ions. Peak electron density during the pulse is also reduced, by about a factor of two, likely due to dissociative attachment to water vapor during the discharge pulse. These trends become more pronounced as oxygen is added to the mixture, which increases net rate of dissociative attachment. Gas temperature during the primary discharge pulse remains near room temperature, after which it increases up to T ~ 500 K over 5 µs and decays back to near room temperature before the next discharge pulse several tens of ms later. As expected, electron density and electron temperature in diffuse DBD plasmas are considerably lower compared to peak values in the filament discharge. Use of Thomson

  15. Accuracy of cutoff probe for measuring electron density: simulation and experiment

    NASA Astrophysics Data System (ADS)

    Kim, Dae-Woong; You, Shin-Jae; Kim, Si-June; Lee, Jang-Jae; Kim, Jung-Hyung; Oh, Wang-Yuhl

    2016-09-01

    The electron density has been used for characterizing the plasma for basic research as well as industrial application. To measure the exact electron density, various type of microwave probe has been developed and improved. The cutoff probe is a promising technique inferring the electron density from the plasma resonance peak on the transmission spectrum. In this study, we present the accuracy of electron density inferred from cutoff probe. The accuracy was investigated by electromagnetic simulation and experiment. The discrepancy between the electron densities from the cutoff probe and other sophisticated microwave probes were investigated and discussed. We found that the cutoff probe has good accuracy in inferred electron density. corresponding author.

  16. Electron star birth: a continuous phase transition at nonzero density.

    PubMed

    Hartnoll, Sean A; Petrov, Pavel

    2011-03-25

    We show that charged black holes in anti-de Sitter spacetime can undergo a third-order phase transition at a critical temperature in the presence of charged fermions. In the low temperature phase, a fraction of the charge is carried by a fermion fluid located a finite distance from the black hole. In the zero temperature limit, the black hole is no longer present and all charge is sourced by the fermions. The solutions exhibit the low temperature entropy density scaling s~T(2/z) anticipated from the emergent IR criticality of recently discussed electron stars.

  17. Isotope Generated Electron Density in Silicon Carbide Direct Energy Converters

    DTIC Science & Technology

    2006-10-01

    Electricity, Year 3 Report for DOE contract, DE FG07-001D13927, August 2003. 22. Brown, P. M . Betavoltaic batteries. Journal of New Energy 2001, 5 (4...TECHL PUB (2 COPIES ) ATTN AMSRD-ARL-CI-OK-TL TECHL LIB (2 COPIES) ATTN AMSRD-ARL-SE-DE M LITZ (10 COPIES) ATTN AMSRD-ARL-SE-DE K...Isotope Generated Electron Density in Silicon Carbide Direct Energy Converters by Marc Litz and Kara Blaine ARL-TR-3964 October 2006

  18. Evidence for a continuous, power law, electron density irregularity spectrum

    NASA Technical Reports Server (NTRS)

    Cronyn, W. M.

    1972-01-01

    The spectral form of the irregularities in electron density that cause interplanetary scintillation (IPS) of small angular diameter radio sources is discussed. The intensity scintillation technique always yields an irregularity scale size, which is of the order of the first Fresnel zone for the wavelength at which the observations are taken. This includes not only the radio wavelength measurements of the structure of the interplanetary medium, but also radio wavelength measurements of the irregularity structure of the ionosphere and interstellar medium, and optical wavelength measurements of the irregularity structure of the atmosphere.

  19. Electron Star Birth: A Continuous Phase Transition at Nonzero Density

    SciTech Connect

    Hartnoll, Sean A.; Petrov, Pavel

    2011-03-25

    We show that charged black holes in anti-de Sitter spacetime can undergo a third-order phase transition at a critical temperature in the presence of charged fermions. In the low temperature phase, a fraction of the charge is carried by a fermion fluid located a finite distance from the black hole. In the zero temperature limit, the black hole is no longer present and all charge is sourced by the fermions. The solutions exhibit the low temperature entropy density scaling s{approx}T{sup 2/z} anticipated from the emergent IR criticality of recently discussed electron stars.

  20. Electron temperature and density probe for small aeronomy satellites

    SciTech Connect

    Oyama, K.-I.; Hsu, Y. W.; Jiang, G. S.; Chen, W. H.; Liu, W. T.; Cheng, C. Z.; Fang, H. K.

    2015-08-15

    A compact and low power consumption instrument for measuring the electron density and temperature in the ionosphere has been developed by modifying the previously developed Electron Temperature Probe (ETP). A circuit block which controls frequency of the sinusoidal signal is added to the ETP so that the instrument can measure both T{sub e} in low frequency mode and N{sub e} in high frequency mode from the floating potential shift of the electrode. The floating potential shift shows a minimum at the upper hybrid resonance frequency (f{sub UHR}). The instrument which is named “TeNeP” can be used for tiny satellites which do not have enough conductive surface area for conventional DC Langmuir probe measurements. The instrument also eliminates the serious problems associated with the contamination of satellite surface as well as the sensor electrode.

  1. Electron temperature and density probe for small aeronomy satellites.

    PubMed

    Oyama, K-I; Hsu, Y W; Jiang, G S; Chen, W H; Cheng, C Z; Fang, H K; Liu, W T

    2015-08-01

    A compact and low power consumption instrument for measuring the electron density and temperature in the ionosphere has been developed by modifying the previously developed Electron Temperature Probe (ETP). A circuit block which controls frequency of the sinusoidal signal is added to the ETP so that the instrument can measure both T(e) in low frequency mode and N(e) in high frequency mode from the floating potential shift of the electrode. The floating potential shift shows a minimum at the upper hybrid resonance frequency (f(UHR)). The instrument which is named "TeNeP" can be used for tiny satellites which do not have enough conductive surface area for conventional DC Langmuir probe measurements. The instrument also eliminates the serious problems associated with the contamination of satellite surface as well as the sensor electrode.

  2. Discriminating the trapped electron modes contribution in density fluctuation spectra

    NASA Astrophysics Data System (ADS)

    Arnichand, H.; Sabot, R.; Hacquin, S.; Krämer-Flecken, A.; Bourdelle, C.; Citrin, J.; Garbet, X.; Giacalone, J. C.; Guirlet, R.; Hillesheim, J. C.; Meneses, L.

    2015-09-01

    Quasi-coherent (QC) modes have been reported for more than 10 years in reflectometry fluctuations spectra in the core region of fusion plasmas. They have characteristics in-between coherent and broadband fluctuations as they oscillate at a marked frequency but have a wide spectrum. This work presents further evidences of the link recently established between QC modes and the trapped electron modes (TEM) instabilities (Arnichand et al 2014 Nucl. Fusion 54 123017). In electron cyclotron resonance heated discharges of Tore Supra, an enhancement of QC modes amplitude is observed in a region where TEM cause impurity transport and turbulence. In JET Ohmic plasmas, QC modes disappear during density ramp-up and current ramp-down. This is reminiscent of Tore Supra and TEXTOR observations during transitions from the linear Ohmic confinement (LOC) to the saturated Ohmic confinement (SOC) regimes. Evidencing TEM activity then becomes experimentally possible via analysis of fluctuation spectra.

  3. Electron temperature and density probe for small aeronomy satellites

    NASA Astrophysics Data System (ADS)

    Oyama, K.-I.; Hsu, Y. W.; Jiang, G. S.; Chen, W. H.; Cheng, C. Z.; Fang, H. K.; Liu, W. T.

    2015-08-01

    A compact and low power consumption instrument for measuring the electron density and temperature in the ionosphere has been developed by modifying the previously developed Electron Temperature Probe (ETP). A circuit block which controls frequency of the sinusoidal signal is added to the ETP so that the instrument can measure both Te in low frequency mode and Ne in high frequency mode from the floating potential shift of the electrode. The floating potential shift shows a minimum at the upper hybrid resonance frequency (fUHR). The instrument which is named "TeNeP" can be used for tiny satellites which do not have enough conductive surface area for conventional DC Langmuir probe measurements. The instrument also eliminates the serious problems associated with the contamination of satellite surface as well as the sensor electrode.

  4. Electron density dependence of impedance probe plasma potential measurements

    SciTech Connect

    Walker, D. N.; Blackwell, D. D.; Amatucci, W. E.

    2015-08-15

    In earlier works, we used spheres of various sizes as impedance probes in demonstrating a method of determining plasma potential, φ{sub p}, when the probe radius is much larger than the Debye length, λ{sub D}. The basis of the method in those works [Walker et al., Phys. Plasmas 13, 032108 (2006); ibid. 15, 123506 (2008); ibid. 17, 113503 (2010)] relies on applying a small amplitude signal of fixed frequency to a probe in a plasma and, through network analyzer-based measurements, determining the complex reflection coefficient, Γ, for varying probe bias, V{sub b}. The frequency range of the applied signal is restricted to avoid sheath resonant effects and ion contributions such that ω{sub pi} ≪ ω ≪ ω{sub pe}, where ω{sub pi} is the ion plasma frequency and ω{sub pe} is the electron plasma frequency. For a given frequency and applied bias, both Re(Z{sub ac}) and Im(Z{sub ac}) are available from Γ. When Re(Z{sub ac}) is plotted versus V{sub b}, a minimum predicted by theory occurs at φ{sub p} [Walker et al., Phys. Plasmas 17, 113503 (2010)]. In addition, Im(Z{sub ac}) appears at, or very near, a maximum at φ{sub p}. As n{sub e} decreases and the sheath expands, the minimum becomes harder to discern. The purpose of this work is to demonstrate that when using network analyzer-based measurements, Γ itself and Im(Z{sub ac}) and their derivatives are useful as accompanying indicators to Re(Z{sub ac}) in these difficult cases. We note the difficulties encountered by the most commonly used plasma diagnostic, the Langmuir probe. Spherical probe data is mainly used in this work, although we present limited data for a cylinder and a disk. To demonstrate the effect of lowered density as a function of probe geometry, we compare the cylinder and disk using only the indicator Re(Z{sub ac})

  5. Thermionic cathode electron gun for high current densities

    NASA Astrophysics Data System (ADS)

    Herniter, Marc E.; Getty, Ward D.

    1987-08-01

    An electron gun using lanthanum hexaboride as a cathode material is being studied for use as a robust thermionic emitter at high cathode current densities. It has a standard planar cathode, Pierce-type electron gun design with a space-charge-limited perveance of 3.2 x 10 to the -6th A/V exp 3/2. Thus far it has been operated up to 36 kV in the space-charge-limited regime. The cathode is heated by electron bombardment and radiation from an auxiliary tungsten filament. The total heating requirement is found to be 202 W/sq cm of cathode area at a cathode temperature of 1626 C. These observations are found to be in reasonable agreement with a thermal steady-state power balance model. Beam current distribution measurements are made with a movable collector and Faraday cup, and are found to be in agreement with an electron-gun computer code. The cathode temperature distribution is also measured.

  6. Electron density characterization of inductively-coupled argon plasmas by the terahertz time-domain spectroscopy

    NASA Astrophysics Data System (ADS)

    Jang, Dogeun; Uhm, Han Sup; Jang, Donggyu; Hur, Min Sup; Suk, Hyyong

    2016-12-01

    Inductively-coupled plasmas (ICP) in the high electron density regime of the order of 1013 cm-3 are generated and their electron density characteristics are investigated by the terahertz time-domain spectroscopy (THz-TDS) method. In this experiment, the plasma was produced by RF (13.56 MHz) with an applied RF power of 300-550 W and the argon gas pressure was in the range of 0.3-1.1 Torr. We generated the THz wave by focusing a femtosecond laser pulse in air with a DC electric field. As a plasma diagnostic tool, the THz-TDS method is found to successfully provide the plasma density information in the high-density regime, where other available plasma diagnostic tools are very limited. In addition, the analytical model based on the ambipolar diffusion equation is compared with experimental observations to explain the behavior of the electron density in the ICP source, where the plasma density is shown to be related to the applied RF power and gas pressure. The analytical result from the model is found to be in good agreement with the THz-TDS result.

  7. Development of a practical multicomponent density functional for electron-proton correlation to produce accurate proton densities

    NASA Astrophysics Data System (ADS)

    Yang, Yang; Brorsen, Kurt R.; Culpitt, Tanner; Pak, Michael V.; Hammes-Schiffer, Sharon

    2017-09-01

    Multicomponent density functional theory (DFT) enables the consistent quantum mechanical treatment of both electrons and protons. A major challenge has been the design of electron-proton correlation (epc) functionals that produce even qualitatively accurate proton densities. Herein an electron-proton correlation functional, epc17, is derived analogously to the Colle-Salvetti formalism for electron correlation and is implemented within the nuclear-electronic orbital (NEO) framework. The NEO-DFT/epc17 method produces accurate proton densities efficiently and is promising for diverse applications.

  8. Development of a practical multicomponent density functional for electron-proton correlation to produce accurate proton densities.

    PubMed

    Yang, Yang; Brorsen, Kurt R; Culpitt, Tanner; Pak, Michael V; Hammes-Schiffer, Sharon

    2017-09-21

    Multicomponent density functional theory (DFT) enables the consistent quantum mechanical treatment of both electrons and protons. A major challenge has been the design of electron-proton correlation (epc) functionals that produce even qualitatively accurate proton densities. Herein an electron-proton correlation functional, epc17, is derived analogously to the Colle-Salvetti formalism for electron correlation and is implemented within the nuclear-electronic orbital (NEO) framework. The NEO-DFT/epc17 method produces accurate proton densities efficiently and is promising for diverse applications.

  9. Effective atomic numbers and electron density of dosimetric material

    PubMed Central

    Kaginelli, S. B.; Rajeshwari, T.; Sharanabasappa; Kerur, B. R.; Kumar, Anil S.

    2009-01-01

    A novel method for determination of mass attenuation coefficient of x-rays employing NaI (Tl) detector system and radioactive sources is described.in this paper. A rigid geometry arrangement and gating of the spectrometer at FWHM position and selection of absorber foils are all done following detailed investigation, to minimize the effect of small angle scattering and multiple scattering on the mass attenuation coefficient, μ/ρ, value. Firstly, for standardization purposes the mass attenuation coefficients of elemental foils such as Aluminum, Copper, Molybdenum, Tantalum and Lead are measured and then, this method is utilized for dosimetric interested material (sulfates). The experimental mass attenuation coefficient values are compared with the theoretical values to find good agreement between the theory and experiment within one to two per cent. The effective atomic numbers of the biological substitute material are calculated by sum rule and from the graph. The electron density of dosimetric material is calculated using the effective atomic number. The study has discussed in detail the attenuation coefficient, effective atomic number and electron density of dosimetric material/biological substitutes. PMID:20098566

  10. Surface electron density models for accurate ab initio molecular dynamics with electronic friction

    NASA Astrophysics Data System (ADS)

    Novko, D.; Blanco-Rey, M.; Alducin, M.; Juaristi, J. I.

    2016-06-01

    Ab initio molecular dynamics with electronic friction (AIMDEF) is a valuable methodology to study the interaction of atomic particles with metal surfaces. This method, in which the effect of low-energy electron-hole (e-h) pair excitations is treated within the local density friction approximation (LDFA) [Juaristi et al., Phys. Rev. Lett. 100, 116102 (2008), 10.1103/PhysRevLett.100.116102], can provide an accurate description of both e-h pair and phonon excitations. In practice, its applicability becomes a complicated task in those situations of substantial surface atoms displacements because the LDFA requires the knowledge at each integration step of the bare surface electron density. In this work, we propose three different methods of calculating on-the-fly the electron density of the distorted surface and we discuss their suitability under typical surface distortions. The investigated methods are used in AIMDEF simulations for three illustrative adsorption cases, namely, dissociated H2 on Pd(100), N on Ag(111), and N2 on Fe(110). Our AIMDEF calculations performed with the three approaches highlight the importance of going beyond the frozen surface density to accurately describe the energy released into e-h pair excitations in case of large surface atom displacements.

  11. Ab initio model calculations for graphite. I - Bulk and basal plane electronic densities. II - Prismatic surface electronic density

    NASA Astrophysics Data System (ADS)

    Butkus, A. M.; Fink, W. H.

    1980-09-01

    The paper presents results of ab initio calculations for carbon atom clusters which model the electronic structure of the bulk and basal planes of the graphite lattice. The bulk case is based on 4, 6, and 8 carbon atom cluster models, and basal plane models contain 4 and 5 carbon units. Reference SCF computations are made for all clusters together with Milliken population analyses for the resultant SCF and model wave functions. The model provides a more uniform density distribution than the SCF calculations. Two and three dimensional models for the graphite lattice predict weak interaction between atoms in adjacent stacking planes which are consistent with properties of graphite.

  12. Solar activity variations of ionospheric peak electron density at nighttime

    NASA Astrophysics Data System (ADS)

    Liu, Libo; Chen, Yiding; Wan, Weixing; Ning, Baiqi

    The solar activity variation of the ionosphere is a key issue in the ionospheric physics and related applications. In this report, the monthly median values of the maximum electron density of the F2-layer observed at Japanese Okinawa, Yamagawa, Kokubunji, and Wakkanai stations have been collected to investigate the solar activity dependence of the ionosphere at nighttime. The result shows that there are seasonal and local time behaviors at nighttime, which are of similarities and differences as compared with that by daytime. In equinoctial months, nighttime electron density increases with solar proxy F107 linearly; in summer solstice month (June), it tends to saturate with F107 increasing; and an amplification trend in winter solstice month (December). The seasonal and local time dependences in the solar cycle dependence of the ionosphere manifest the roles of the dynamics and chemical processes. With peak height of the F2-layer and NRLMSISE00 model, the nighttime recombination rate around the F2 peak has been evaluated at different solar activity levels, which are also found of a seasonal dependence. This investigation suggests that the seasonal differences of the solar activity variations of both thermospheric parameters (neutral density, temperature and vibrational excited nitrogen) and the peak height of the ionosphere play important roles in causing the seasonal difference of the solar activity variation of recombination process around the F2 peak. ACKNOWLEDGMENTS The ionosonde data are provided by NICT, Japan. This research was supported by National Natural Science Foundation of China (40725014, 40674090), and National Important Basic Research Project (2006CB806306).

  13. SU-E-T-530: Relative Electron Density Phantom Comparison.

    PubMed

    Rasmussen, B; Chu, K; Tong, S

    2012-06-01

    Modern treatment planning systems require lookup tables to convert Hounsfield Units (HU) to relative electron density (RED) for use in heterogeneity corrections during dose calculations. The purpose of this work is to illustrate the impact of using different model CT phantoms to determine HU to RED curves for treatment planning. A GAMMEX model 467 tissue characterization phantom and a CATPHAN model 500 multipurpose CT phantom were imaged using CT scanners in four different cancer centers and the HU to RED curves derived from each phantom were imported into an Eclipse 8.10 treatment planning system. Dose calculation were performed on a heterogeneity phantom and then compared to measurements. A comparison of isodose and DVH were performed by calculating 3D and IMRT plans onto identical CT datasets with different HU to RED curves to determine the clinical significance. Analysis based on effective atomic number of the phantom inserts was also performed. The HU to RED curves from the GAMMEX and CATPHAN phantoms were found to be reasonably self-consistent across the different CT scanners. However, observable differences for higher density materials were observed between the two phantom models. The differences for the larger HU values can be attributed to the effective atomic number of the materials. In kV range of a CT scanner x-ray spectrum, photon interactions are partially due to the photoelectric effect which has a larger dependence on atomic number than Compton scatter which depends most directly on electron density. The HU to RED curve is more dependent on the phantom model than CT scanner. The HU to RED curve from the GAMMEX phantom produced better agreement between Eclipse AAA calculations and measured dose distributions on a heterogeneity phantom than that from the CATPHAN. However, DVH and isodose data on patient plans show small differences for common treatment sites. © 2012 American Association of Physicists in Medicine.

  14. Electron temperatures and densities in the venus ionosphere: pioneer venus orbiter electron temperature probe results.

    PubMed

    Brace, L H; Theis, R F; Krehbiel, J P; Nagy, A F; Donahue, T M; McElroy, M B; Pedersen, A

    1979-02-23

    Altitude profiles of electron temperature and density in the ionosphere of Venus have been obtained by the Pioneer Venus orbiter electron temperatutre probe. Elevated temperatutres observed at times of low solar wind flux exhibit height profiles that are consistent with a model in which less than 5 percent of the solar wind energy is deposited at the ionopause and is conducted downward through an unmagnetized ionosphere to the region below 200 kilomneters where electron cooling to the neutral atmosphere proceeds rapidly. When solar wind fluxes are higher, the electron temperatures and densities are highly structured and the ionopause moves to lower altitudes. The ionopause height in the late afternoon sector observed thus far varies so widely from day to (day that any height variation with solar zenith angle is not apparent in the observations. In the neighborhood of the ionopause, measuremnents of plasma temperatures and densities and magnetic field strength indicate that an induced magnetic barrier plays an important role in the pressure transfer between the solar wind and the ionosphere. The bow, shock is marked by a distinct increase in electron current collected by the instrument, a featutre that provides a convenient identification of the bow shock location.

  15. Electronic and structural properties of ultrathin tungsten nanowires and nanotubes by density functional theory calculation

    SciTech Connect

    Sun, Shih-Jye; Lin, Ken-Huang; Li, Jia-Yun; Ju, Shin-Pon

    2014-10-07

    The simulated annealing basin-hopping method incorporating the penalty function was used to predict the lowest-energy structures for ultrathin tungsten nanowires and nanotubes of different sizes. These predicted structures indicate that tungsten one-dimensional structures at this small scale do not possess B.C.C. configuration as in bulk tungsten material. In order to analyze the relationship between multi-shell geometries and electronic transfer, the electronic and structural properties of tungsten wires and tubes including partial density of state and band structures which were determined and analyzed by quantum chemistry calculations. In addition, in order to understand the application feasibility of these nanowires and tubes on nano-devices such as field emitters or chemical catalysts, the electronic stability of these ultrathin tungsten nanowires was also investigated by density functional theory calculations.

  16. Extracting electron transfer coupling elements from constrained density functional theory

    NASA Astrophysics Data System (ADS)

    Wu, Qin; Van Voorhis, Troy

    2006-10-01

    Constrained density functional theory (DFT) is a useful tool for studying electron transfer (ET) reactions. It can straightforwardly construct the charge-localized diabatic states and give a direct measure of the inner-sphere reorganization energy. In this work, a method is presented for calculating the electronic coupling matrix element (Hab) based on constrained DFT. This method completely avoids the use of ground-state DFT energies because they are known to irrationally predict fractional electron transfer in many cases. Instead it makes use of the constrained DFT energies and the Kohn-Sham wave functions for the diabatic states in a careful way. Test calculations on the Zn2+ and the benzene-Cl atom systems show that the new prescription yields reasonable agreement with the standard generalized Mulliken-Hush method. We then proceed to produce the diabatic and adiabatic potential energy curves along the reaction pathway for intervalence ET in the tetrathiafulvalene-diquinone (Q-TTF-Q) anion. While the unconstrained DFT curve has no reaction barrier and gives Hab≈17kcal /mol, which qualitatively disagrees with experimental results, the Hab calculated from constrained DFT is about 3kcal /mol and the generated ground state has a barrier height of 1.70kcal/mol, successfully predicting (Q-TTF-Q)- to be a class II mixed-valence compound.

  17. ITEP Bernas ion source with additional electron beam

    SciTech Connect

    Kulevoy, T.V.; Kuibeda, R.P.; Petrenko, S.V.; Batalin, V.A.; Pershin, V.I.; Kropachev, G.N.; Hershcovitch, A.; Johnson, B.M.; Gushenets, V.I.; Oks, E.M.; Poole, H.J.

    2006-03-15

    A joint research and development program is underway to develop steady-state intense ion sources for the two energy extremes of MeV and hundreds of eV. For the MeV range the investigations were focused on charge-state enhancement for ions generated by the modified Bernas ion sources. Based on the previously successful ITEP experience with the e-metal vapor vacuum arc ion source [e.g., Batalin et al., Rev. Sci. Instrum. 75, 1900 (2004)], the injection of a high-energy electron beam into the Bernas ion source discharge region is expected to enhance the production of high charge states. Presented here are construction details and studies of electron-beam influence on the enhancement of ion-beam charge states generated by the modified Bernas ion source.

  18. Bader's electron density analysis of hydrogen bonding in secondary structural elements of protein.

    PubMed

    Parthasarathi, R; Raman, S Sundar; Subramanian, V; Ramasami, T

    2007-08-02

    The hydrogen-bonding (H-bonding) interactions in alpha-helical and beta-sheet model peptides have been studied by using the atoms-in-molecule (AIM) approach. The relative importance of NH...O and CH...O H-bonding interactions in the different secondary elements such as alpha-helix, parallel, and antiparallel beta-sheets have been assessed. The electron density values at the NH...O bond are higher than those of the CH...O bonds in the alpha-helical conformation. The electron density values at the H-bonded critical points (HBCPs) corresponding to NH...O and CH...O interactions are nearly equal in the parallel beta-sheet of the order of 10(-3) au, whereas in the case of antiparallel beta-sheets, rho(rc) values for NH...O and CH...O interactions are of the order of 10(-2) and 10(-3) au, respectively. It is interesting to point out here that the weakening of NH...O interactions in the parallel beta-sheet arrangement is evident from the AIM analysis. This is concomitant with the increase in the NH...O distance in the parallel beta-sheet conformation. In addition to the clear description of H-bonding by electron density at the HBCP, possible good linear relationships between the electron density at ring critical points (RCP) and stabilization energy (SE) have been observed corresponding to the various beta-sheet conformations.

  19. Next Generation Orthopaedic Implants by Additive Manufacturing Using Electron Beam Melting

    PubMed Central

    Murr, Lawrence E.; Gaytan, Sara M.; Martinez, Edwin; Medina, Frank; Wicker, Ryan B.

    2012-01-01

    This paper presents some examples of knee and hip implant components containing porous structures and fabricated in monolithic forms utilizing electron beam melting (EBM). In addition, utilizing stiffness or relative stiffness versus relative density design plots for open-cellular structures (mesh and foam components) of Ti-6Al-4V and Co-29Cr-6Mo alloy fabricated by EBM, it is demonstrated that stiffness-compatible implants can be fabricated for optimal stress shielding for bone regimes as well as bone cell ingrowth. Implications for the fabrication of patient-specific, monolithic, multifunctional orthopaedic implants using EBM are described along with microstructures and mechanical properties characteristic of both Ti-6Al-4V and Co-29Cr-6Mo alloy prototypes, including both solid and open-cellular prototypes manufactured by additive manufacturing (AM) using EBM. PMID:22956957

  20. Next generation orthopaedic implants by additive manufacturing using electron beam melting.

    PubMed

    Murr, Lawrence E; Gaytan, Sara M; Martinez, Edwin; Medina, Frank; Wicker, Ryan B

    2012-01-01

    This paper presents some examples of knee and hip implant components containing porous structures and fabricated in monolithic forms utilizing electron beam melting (EBM). In addition, utilizing stiffness or relative stiffness versus relative density design plots for open-cellular structures (mesh and foam components) of Ti-6Al-4V and Co-29Cr-6Mo alloy fabricated by EBM, it is demonstrated that stiffness-compatible implants can be fabricated for optimal stress shielding for bone regimes as well as bone cell ingrowth. Implications for the fabrication of patient-specific, monolithic, multifunctional orthopaedic implants using EBM are described along with microstructures and mechanical properties characteristic of both Ti-6Al-4V and Co-29Cr-6Mo alloy prototypes, including both solid and open-cellular prototypes manufactured by additive manufacturing (AM) using EBM.

  1. Characteristics of temporal evolution of particle density and electron temperature in helicon discharge

    NASA Astrophysics Data System (ADS)

    Yang, Xiong; Cheng, Mousen; Guo, Dawei; Wang, Moge; Li, Xiaokang

    2017-10-01

    On the basis of considering electrochemical reactions and collision relations in detail, a direct numerical simulation model of a helicon plasma discharge with three-dimensional two-fluid equations was employed to study the characteristics of the temporal evolution of particle density and electron temperature. With the assumption of weak ionization, the Maxwell equations coupled with the plasma parameters were directly solved in the whole computational domain. All of the partial differential equations were solved by the finite element solver in COMSOL MultiphysicsTM with a fully coupled method. In this work, the numerical cases were calculated with an Ar working medium and a Shoji-type antenna. The numerical results indicate that there exist two distinct modes of temporal evolution of the electron and ground atom density, which can be explained by the ion pumping effect. The evolution of the electron temperature is controlled by two schemes: electromagnetic wave heating and particle collision cooling. The high RF power results in a high peak electron temperature while the high gas pressure leads to a low steady temperature. In addition, an OES experiment using nine Ar I lines was conducted using a modified CR model to verify the validity of the results by simulation, showing that the trends of temporal evolution of electron density and temperature are well consistent with the numerically simulated ones.

  2. Electron number density measurements using laser-induced breakdown spectroscopy of ionized nitrogen spectral lines

    NASA Astrophysics Data System (ADS)

    EL Sherbini, Ashraf M.; Aboulfotouh, Abdelnasser M.; Parigger, Christian G.

    2016-11-01

    Spectrally broadened, singly ionized nitrogen emission lines are monitored to determine electron number densities in laser-induced plasma from aluminum, nano- and bulk-zinc monoxide, as well as hydrogen-rich plastic and wood targets. The optical emission spectra for N II at the average wavelength of 500.33 nm are recorded in standard ambient temperature and pressure environments. For time delays of 25 to 450 ns from the onset of the 1064-nm Nd:YAG radiation induced optical breakdown, the electron number densities in the range of 5.1 ±1 ×1019 to 0.22 ±0.04 ×1019 cm-3 are inferred from the continuum and the nitrogen spectral line analysis. In addition, the corresponding electron temperatures of 10.1 ±0.6 eV to 1 ±0.2 eV are determined from the calculated absolute spectral radiance values in the near infrared region. At the early stages of plasma emission, Balmer series hydrogen lines are embedded in free electron radiation yet the broadening of the N II lines yields reliable electron number density values.

  3. Electronic properties of graphene nanoribbons: A density functional investigation

    SciTech Connect

    Kumar, Sandeep Sharma, Hitesh

    2015-05-15

    Density functional theory calculations have been performed on graphene nano ribbons (GNRs) to investigate the electronic properties as a function of chirality, size and hydrogenation on the edges. The calculations were performed on GNRs with armchair and zigzag configurations with 28, 34, 36, 40, 50, 56, 62, 66 carbon atoms. The structural stability of AGNR and ZGNR increases with the size of nanoribbon where as hydrogenation of GNR tends to lowers their structural stability. All GNRs considered have shown semiconducting behavior with HOMO-LUMO gap decreasing with the increase in the GNR size. The hydrogenation of GNR decreases its HOMO-LUMO gap significantly. The results are in agreement with the available experimental and theoretical results.

  4. Sliced Basis Density Matrix Renormalization Group for Electronic Structure

    NASA Astrophysics Data System (ADS)

    Stoudenmire, E. Miles; White, Steven R.

    2017-07-01

    We introduce a hybrid approach to applying the density matrix renormalization group to continuous systems, combining a grid approximation along one direction with a finite Gaussian basis set for the remaining two directions. This approach is especially useful for chainlike molecules, where the grid is used in the long direction. For hydrogen chain systems, the computational time scales approximately linearly with the number of atoms, as we show with near-exact minimal basis set calculations with up to 1000 atoms. The linear scaling comes from both the localization of the basis and a compression method for the long-ranged two-electron interaction. For shorter hydrogen chains, we show results with up to triple-ζ bases.

  5. Density gradient free electron collisionally excited x-ray laser

    DOEpatents

    Campbell, E.M.; Rosen, M.D.

    1984-11-29

    An operational x-ray laser is provided that amplifies 3p-3s transition x-ray radiation along an approximately linear path. The x-ray laser is driven by a high power optical laser. The driving line focused optical laser beam illuminates a free-standing thin foil that may be associated with a substrate for improved structural integrity. This illumination produces a generally cylindrically shaped plasma having an essentially uniform electron density and temperature, that exists over a long period of time, and provides the x-ray laser gain medium. The x-ray laser may be driven by more than one optical laser beam. The x-ray laser has been successfully demonstrated to function in a series of experimental tests.

  6. Density gradient free electron collisionally excited X-ray laser

    DOEpatents

    Campbell, Edward M.; Rosen, Mordecai D.

    1989-01-01

    An operational X-ray laser (30) is provided that amplifies 3p-3s transition X-ray radiation along an approximately linear path. The X-ray laser (30) is driven by a high power optical laser. The driving line focused optical laser beam (32) illuminates a free-standing thin foil (34) that may be associated with a substrate (36) for improved structural integrity. This illumination produces a generally cylindrically shaped plasma having an essentially uniform electron density and temperature, that exists over a long period of time, and provides the X-ray laser gain medium. The X-ray laser (30) may be driven by more than one optical laser beam (32, 44). The X-ray laser (30) has been successfully demonstrated to function in a series of experimental tests.

  7. Neutral Atmosphere Properties Determining D-region Electron Densities

    NASA Technical Reports Server (NTRS)

    Taubenheim, J.

    1984-01-01

    The increasing discoveries of various manifestations of meteorological control of the D region ionization and the growth of techniques for its measurement provide a challenge to meteorologists to test their insight into middle atmosphere processes with the physical interpretation of D layer phenomena. Models for ion production due to photoionization of minor atmospheric nitric oxide by quasi-monochromatic solar Lyman-alpha radiation are presented. A ground based measuring technique using low frequency radio reflection heights is briefly described and an approach to the interpretation of data acquired by this method is discussed. It is shown that D region electron density variations can provide an efficient diagnostic tool for the detection of perturbations of the circulation state of the middle atmosphere.

  8. Solar activity variations of the ionospheric peak electron density

    NASA Astrophysics Data System (ADS)

    Liu, Libo; Wan, Weixing; Ning, Baiqi; Pirog, O. M.; Kurkin, V. I.

    2006-08-01

    The daily averaged Solar EUV Monitor (SEM)/Solar Heliospheric Observatory (SOHO) EUV measurements, solar proxies, and foF2 data at 20 ionosonde stations in the east Asia/Australia sector are collected to investigate the solar activity dependences of the ionospheric peak electron density (NmF2). The intensities of solar EUV from the SEM/SOHO measurements from 1996 to 2005 show a nonlinear relationship with F107, and the SEM/SOHO EUV can be better represented by a solar activity factor P = (F107 + F107A)/2. Seasonal and latitudinal dependences are found in the solar activity variation of NmF2 in the east Asia/Australian sector. The slope of NmF2 with P in the linear segment further shows similar annual variations as the background electron densities at moderate solar activity. Observations show a nonlinear dependence of NmF2 on solar EUV (the saturation effect of NmF2 for high solar EUV). On the basis of a simple model of photochemistry, taking the neutral atmospheric consequences into account, calculations at fixed height simulate the saturation effect of NmF2, but the observed change rate of NmF2 with P is inadequately reproduced. Calculations taking into account the influence of dynamics (via a simple model of the solar EUV dependence of the ionospheric height) tend to reproduce the observed change rate of NmF2. Results indicate that besides solar EUV changes, the influence of dynamics and the atmospheric consequences should substantially contribute to the solar activity variations of NmF2.

  9. Plasmaspheric Electron Densities and Plasmashere-Ionosphere Coupling Fluxes

    NASA Astrophysics Data System (ADS)

    Lichtenberger, Janos; Cherneva, Nina; Shevtsov, Boris; Sannikov, Dmitry; Ferencz, Csaba; Koronczay, David

    The Automatic Whistler Detector and Analyzer Network (AWDANet) is able to detect and analyze whistlers in quasi-realtime and can provide equatorial electron density data. The plasmaspheric electron densities and ionosphere-plasmasphere coupling fluxes are key parameters for plasmasphere models in Space Weather related investigations, particularly in modeling charged particle accelerations and losses in Radiation Belts. The global AWDANet [1] detects millions of whistlers in a year. The system has been recently completed with automatic analyzer capability in PLASMON (http://plasmon.elte.hu) project. It is based on a recently developed whistler inversion model [2], that opened the way for an automated process of whistler analysis, not only for single whistler events but for complex analysis of multiple-path propagation whistler groups [3]. In this paper we present the results of quasi-real-time runs processing whistlers from quiet and disturb periods from Karymshina station (Kamchatka, Russia). Refilling rates, that are not yet known in details are also presented for the various periods. 1.Lichtenberger, J., C. Ferencz, L. Bodnár, D. Hamar, and P. Steinbach (2008), Automatic whistler detector and analyzer system: Automatic whistler detector, J. Geophys. Res., 113, A12201, doi:10.1029/2008JA013467. 2. Lichtenberger, J. (2009), A new whistler inversion method, J. Geophys. Res., 114, A07222, doi:10.1029/2008JA013799. 3. Lichtenberger, J., C. Ferencz, D. Hamar, P. Steinbach, C. J. Rodger, M. A. Clilverd, and A. B. Collier (2010), Automatic Whistler Detector and Analyzer system: Implementation of the analyzer algorithm, J. Geophys. Res., 115, A12214, doi:10.1029/2010JA015931.

  10. On the asymptotic improvement of supervised learning by utilizing additional unlabeled samples - Normal mixture density case

    NASA Technical Reports Server (NTRS)

    Shahshahani, Behzad M.; Landgrebe, David A.

    1992-01-01

    The effect of additional unlabeled samples in improving the supervised learning process is studied in this paper. Three learning processes. supervised, unsupervised, and combined supervised-unsupervised, are compared by studying the asymptotic behavior of the estimates obtained under each process. Upper and lower bounds on the asymptotic covariance matrices are derived. It is shown that under a normal mixture density assumption for the probability density function of the feature space, the combined supervised-unsupervised learning is always superior to the supervised learning in achieving better estimates. Experimental results are provided to verify the theoretical concepts.

  11. On the asymptotic improvement of supervised learning by utilizing additional unlabeled samples - Normal mixture density case

    NASA Technical Reports Server (NTRS)

    Shahshahani, Behzad M.; Landgrebe, David A.

    1992-01-01

    The effect of additional unlabeled samples in improving the supervised learning process is studied in this paper. Three learning processes. supervised, unsupervised, and combined supervised-unsupervised, are compared by studying the asymptotic behavior of the estimates obtained under each process. Upper and lower bounds on the asymptotic covariance matrices are derived. It is shown that under a normal mixture density assumption for the probability density function of the feature space, the combined supervised-unsupervised learning is always superior to the supervised learning in achieving better estimates. Experimental results are provided to verify the theoretical concepts.

  12. Electronic Structure and Effectively Unpaired Electron Density Topology in closo-Boranes: Nonclassical Three-Center Two-Electron Bonding.

    PubMed

    Lobayan, Rosana M; Bochicchio, Roberto C; Torre, Alicia; Lain, Luis

    2011-04-12

    This article provides a detailed study of the structure and bonding in closo-borane cluster compounds X2B3H3 (X = BH(-), P, SiH, CH, N), with particular emphasis on the description of the electron distribution using the topology of the quantum many-body effectively unpaired density. The close relationship observed between the critical points of this quantity and the localization of the electron cloud allows us to characterize the nonclassical bonding patterns of these systems. The obtained results confirm the suitability of the local rule to detect three-center two-electron bonds, which was conjectured in our previous study on boron hydrides.

  13. Ionospheric electron-density profile and related studies. Final report

    SciTech Connect

    Basu, B.; Decker, D.T.; Retterer, J.M.; Bakshi, P.M.

    1984-08-15

    Photoionization of the neutral gas by photons was studied in the extreme ultraviolet (EUV) region of the solar spectrum along with the various particle-particle collisional processes that determine the energy dependence of the photoelectron flux. Also studied were the effects of plasma instabilities in determining the photoelectron energy spectrum in the 2-6 eV energy range. The authors describe a series of case studies, modeling the EDP(Electron Density Profile) using first-principle calculations and comparing the results to a variety of direct measurements. For cases in which simultaneous airglow-emission measurements are available, they evaluate the emissions predicted by the model EDP and compare with the observed emissions. The problem of specifying the flux incident on the atmosphere is addressed with a calculation of the magnetospheric loss-cone population resulting from pitch-angle diffusion. In an effort to describe the phenomena of ion conics, both the means by which turbulence can be caused by precipitating electrons and the way in which the turbulence can accelerate ionospheric ions were studied, using particle plasma simulation techniques. A simplified analysis shows no dependence upon beam current for the spherical geometry and a weak dependence for the cylindrical case.

  14. Reduced density matrix hybrid approach: Application to electronic energy transfer

    SciTech Connect

    Berkelbach, Timothy C.; Reichman, David R.; Markland, Thomas E.

    2012-02-28

    Electronic energy transfer in the condensed phase, such as that occurring in photosynthetic complexes, frequently occurs in regimes where the energy scales of the system and environment are similar. This situation provides a challenge to theoretical investigation since most approaches are accurate only when a certain energetic parameter is small compared to others in the problem. Here we show that in these difficult regimes, the Ehrenfest approach provides a good starting point for a dynamical description of the energy transfer process due to its ability to accurately treat coupling to slow environmental modes. To further improve on the accuracy of the Ehrenfest approach, we use our reduced density matrix hybrid framework to treat the faster environmental modes quantum mechanically, at the level of a perturbative master equation. This combined approach is shown to provide an efficient and quantitative description of electronic energy transfer in a model dimer and the Fenna-Matthews-Olson complex and is used to investigate the effect of environmental preparation on the resulting dynamics.

  15. First test of BNL electron beam ion source with high current density electron beam

    NASA Astrophysics Data System (ADS)

    Pikin, Alexander; Alessi, James G.; Beebe, Edward N.; Shornikov, Andrey; Mertzig, Robert; Wenander, Fredrik; Scrivens, Richard

    2015-01-01

    A new electron gun with electrostatic compression has been installed at the Electron Beam Ion Source (EBIS) Test Stand at BNL. This is a collaborative effort by BNL and CERN teams with a common goal to study an EBIS with electron beam current up to 10 A, current density up to 10,000 A/cm2 and energy more than 50 keV. Intensive and pure beams of heavy highly charged ions with mass-to-charge ratio < 4.5 are requested by many heavy ion research facilities including NASA Space Radiation Laboratory (NSRL) at BNL and HIE-ISOLDE at CERN. With a multiampere electron gun, the EBIS should be capable of delivering highly charged ions for both RHIC facility applications at BNL and for ISOLDE experiments at CERN. Details of the electron gun simulations and design, and the Test EBIS electrostatic and magnetostatic structures with the new electron gun are presented. The experimental results of the electron beam transmission are given.

  16. First test of BNL electron beam ion source with high current density electron beam

    SciTech Connect

    Pikin, Alexander Alessi, James G. Beebe, Edward N.; Shornikov, Andrey; Mertzig, Robert; Wenander, Fredrik; Scrivens, Richard

    2015-01-09

    A new electron gun with electrostatic compression has been installed at the Electron Beam Ion Source (EBIS) Test Stand at BNL. This is a collaborative effort by BNL and CERN teams with a common goal to study an EBIS with electron beam current up to 10 A, current density up to 10,000 A/cm{sup 2} and energy more than 50 keV. Intensive and pure beams of heavy highly charged ions with mass-to-charge ratio < 4.5 are requested by many heavy ion research facilities including NASA Space Radiation Laboratory (NSRL) at BNL and HIE-ISOLDE at CERN. With a multiampere electron gun, the EBIS should be capable of delivering highly charged ions for both RHIC facility applications at BNL and for ISOLDE experiments at CERN. Details of the electron gun simulations and design, and the Test EBIS electrostatic and magnetostatic structures with the new electron gun are presented. The experimental results of the electron beam transmission are given.

  17. Dayside electron density structures organised by the Martian crustal magnetic fields

    NASA Astrophysics Data System (ADS)

    Dieval, C.; Wild, J. A.; Morgan, D. D.; Andrews, D. J.; Gurnett, D. A.

    2015-12-01

    The Advanced Radar for Subsurface and Ionospheric Sounding (MARSIS) onboard Mars Express is able to detect remotely the Martian topside electron densities down to the main ionospheric peak. In the ionospheric mode it transmits a sequence of pulses in the frequency range 0.1 to 5.5 MHz and measures the delay of reception of the reflected signals returned by the ionospheric plasma layers below the spacecraft. Previous studies using MARSIS have investigated localized electron density structures in the dayside Martian ionosphere, located in areas of typically near-vertical or oblique orientation of the Martian crustal magnetic fields. These crustal fields are remnants of the now extinct global Martian dipole magnetic field, with the strongest fields in the Southern hemisphere reaching up to |B| > 200 nT at altitudes of 400 km. These density structures are often detected as apparent upwellings above the surrounding ideally horizontally stratified ionosphere. Previous studies searched the density structures at a fixed sounding frequency of 1.9 MHz (equivalent to a plasma density of 4.47·104 cm-3), which is a typical frequency at which they are detected. In addition, these studies did not account for the signal dispersion due to the propagation through the ionosphere, which causes larger time delays for receiving the radar echoes, and therefore an underestimation of the altitude of these structures. In the present work we propose to use a statistical dataset of such density structures detected on the dayside of Mars by MARSIS in areas of oblique crustal fields, to determine the interval of densities for which the structures are found to make apparent upwellings. Then we use the corresponding electron density profiles corrected for signal dispersion, to determine the real altitudes of the density structures, their vertical extent and their plasma scale heights compared to the surrounding ionosphere. These new informations give critical hints for uncovering their origins

  18. The quasirelativistic contact interaction and effective electron and spin densities at the nucleus: A model based on weighting the electron density with the finite Gaussian nucleus model

    NASA Astrophysics Data System (ADS)

    Malček, Michal; Bučinský, Lukáš; Biskupič, Stanislav; Jayatilaka, Dylan

    2013-08-01

    The Infinite Order Two Component quasirelativistic Hartree-Fock contact and effective electron/spin densities of Cu, Ag, Au atoms and the chemical shifts of HgF2, Cu+, Ag+ and Au+ are presented. The effective densities for the Gaussian nucleus model based on the weighted product of electron/spin density with the Gaussian distribution of the nucleus are reported for the first time. The effective (average) electron density obtained via the derivative of the energy of the system with respect to the size of the nucleus is shown for comparison. The finite-field difference method to obtain the derivative of the energy is also considered.

  19. Laser-driven electron acceleration in a plasma channel with an additional electric field

    SciTech Connect

    Cheng, Li-Hong; Xue, Ju-Kui; Liu, Jie

    2016-05-15

    We examine the electron acceleration in a two-dimensional plasma channel under the action of a laser field and an additional static electric field. We propose to design an appropriate additional electric field (its direction and location), in order to launch the electron onto an energetic trajectory. We find that the electron acceleration strongly depends on the coupled effects of the laser polarization, the direction, and location of the additional electric field. The additional electric field affects the electron dynamics by changing the dephasing rate. Particularly, a suitably designed additional electric field leads to a considerable energy gain from the laser pulse after the interaction with the additional electric field. The electron energy gain from the laser with the additional electric field can be much higher than that without the additional electric field. This engineering provides a possible means for producing high energetic electrons.

  20. Thermographic Microstructure Monitoring in Electron Beam Additive Manufacturing

    DOE PAGES

    Raplee, Jake B.; Plotkowski, Alex J.; Kirka, Michael M.; ...

    2017-03-03

    To reduce the uncertainty of build performance in metal additive manufacturing, robust process monitoring systems that can detect imperfections and improve repeatability are desired. One of the most promising methods for in-situ monitoring is thermographic imaging. However, there is a challenge in using this technology due to the difference in surface emittance between the metal powder and solidified part being observed that affects the accuracy of the temperature data collected. This developed a method for properly calibrating temperature profiles from thermographic data and then determining important characteristics of the build through additional processing. The thermographic data was analyzed to determinemore » the transition of material from metal powder to a solid as-printed part. A corrected temperature profile was then assembled for each point using calibrations for these surface conditions. Using this data, we calculated the thermal gradient and solid-liquid interface velocity and correlated it to microstructural variation within the part experimentally. This work shows that by using a method of process monitoring, repeatability of a build could be monitored specifically in relation to microstructure control.« less

  1. Thermographic Microstructure Monitoring in Electron Beam Additive Manufacturing

    NASA Astrophysics Data System (ADS)

    Raplee, J.; Plotkowski, A.; Kirka, M. M.; Dinwiddie, R.; Okello, A.; Dehoff, R. R.; Babu, S. S.

    2017-03-01

    To reduce the uncertainty of build performance in metal additive manufacturing, robust process monitoring systems that can detect imperfections and improve repeatability are desired. One of the most promising methods for in situ monitoring is thermographic imaging. However, there is a challenge in using this technology due to the difference in surface emittance between the metal powder and solidified part being observed that affects the accuracy of the temperature data collected. The purpose of the present study was to develop a method for properly calibrating temperature profiles from thermographic data to account for this emittance change and to determine important characteristics of the build through additional processing. The thermographic data was analyzed to identify the transition of material from metal powder to a solid as-printed part. A corrected temperature profile was then assembled for each point using calibrations for these surface conditions. Using this data, the thermal gradient and solid-liquid interface velocity were approximated and correlated to experimentally observed microstructural variation within the part. This work shows that by using a method of process monitoring, repeatability of a build could be monitored specifically in relation to microstructure control.

  2. Thermographic Microstructure Monitoring in Electron Beam Additive Manufacturing.

    PubMed

    Raplee, J; Plotkowski, A; Kirka, M M; Dinwiddie, R; Okello, A; Dehoff, R R; Babu, S S

    2017-03-03

    To reduce the uncertainty of build performance in metal additive manufacturing, robust process monitoring systems that can detect imperfections and improve repeatability are desired. One of the most promising methods for in situ monitoring is thermographic imaging. However, there is a challenge in using this technology due to the difference in surface emittance between the metal powder and solidified part being observed that affects the accuracy of the temperature data collected. The purpose of the present study was to develop a method for properly calibrating temperature profiles from thermographic data to account for this emittance change and to determine important characteristics of the build through additional processing. The thermographic data was analyzed to identify the transition of material from metal powder to a solid as-printed part. A corrected temperature profile was then assembled for each point using calibrations for these surface conditions. Using this data, the thermal gradient and solid-liquid interface velocity were approximated and correlated to experimentally observed microstructural variation within the part. This work shows that by using a method of process monitoring, repeatability of a build could be monitored specifically in relation to microstructure control.

  3. Thermographic Microstructure Monitoring in Electron Beam Additive Manufacturing

    PubMed Central

    Raplee, J.; Plotkowski, A.; Kirka, M. M.; Dinwiddie, R.; Okello, A.; Dehoff, R. R.; Babu, S. S.

    2017-01-01

    To reduce the uncertainty of build performance in metal additive manufacturing, robust process monitoring systems that can detect imperfections and improve repeatability are desired. One of the most promising methods for in situ monitoring is thermographic imaging. However, there is a challenge in using this technology due to the difference in surface emittance between the metal powder and solidified part being observed that affects the accuracy of the temperature data collected. The purpose of the present study was to develop a method for properly calibrating temperature profiles from thermographic data to account for this emittance change and to determine important characteristics of the build through additional processing. The thermographic data was analyzed to identify the transition of material from metal powder to a solid as-printed part. A corrected temperature profile was then assembled for each point using calibrations for these surface conditions. Using this data, the thermal gradient and solid-liquid interface velocity were approximated and correlated to experimentally observed microstructural variation within the part. This work shows that by using a method of process monitoring, repeatability of a build could be monitored specifically in relation to microstructure control. PMID:28256595

  4. Measurement of powder bed density in powder bed fusion additive manufacturing processes

    NASA Astrophysics Data System (ADS)

    Jacob, G.; Donmez, A.; Slotwinski, J.; Moylan, S.

    2016-11-01

    Many factors influence the performance of additive manufacturing (AM) processes, resulting in a high degree of variation in process outcomes. Therefore, quantifying these factors and their correlations to process outcomes are important challenges to overcome to enable widespread adoption of emerging AM technologies. In the powder bed fusion AM process, the density of the powder layers in the powder bed is a key influencing factor. This paper introduces a method to determine the powder bed density (PBD) during the powder bed fusion (PBF) process. A complete uncertainty analysis associated with the measurement method was also described. The resulting expanded measurement uncertainty, U PBD (k  =  2), was determined as 0.004 g · cm-3. It was shown that this expanded measurement uncertainty is about three orders of magnitude smaller than the typical powder bed density. This method enables establishing correlations between the changes in PBD and the direction of motion of the powder recoating arm.

  5. The Influence of Energetic Electrons on the Cassini Langmuir Probe at Saturn : Deriving Large Electron Temperatures and Small Electron Densities

    NASA Astrophysics Data System (ADS)

    Garnier, P.; Wahlund, J.; Holmberg, M.; Lewis, G.; Schippers, P.; Thomsen, M. F.; Rochel Grimald, S.; Gurnett, D. A.; Coates, A. J.; Dandouras, I. S.; Waite, J. H.

    2013-12-01

    The Langmuir probes (LPs) are commonly used to investigate the cold plasma characteristics in planetary ionospheres/magnetospheres. The LPs performances are limited to low temperatures (i.e. below 5-10 eV at Saturn) and large densities (above several particles/cm3). A strong sensitivity of the Cassini LP measurements to energetic electrons (hundreds eV) may however be observed at Saturn in the L Shell range L=6-10 RS. These electrons impact the surface of the probe and generate a detectable current of secondary electrons. We investigated the influence of such electrons on the current-voltage (I-V) characteristics (for negative potentials), showing that both the DC level and slope of the I-V curve are modified. The influence of energetic electrons may be interpreted in terms of the critical and anticritical temperatures concept that is important for spacecraft charging studies. Estimations of the maximum secondary yield value for the LP surface are obtained without using laboratory measurements. Empirical and theoretical methods were developed to reproduce the influence of the energetic electrons with a reasonable precision. Conversely, this modelling allows us to derive useful information about the energetic electrons from the LP observations : some information about their pitch angle anisotropy (if combined with the data from a single CAPS ELS anode), as well as an estimate of the electron temperature (in the range 100-300 eV) and of the electron density (above 0.1 particles/cm3). This enlarges the LP measurements capabilities when the influence of the energetic electrons is large (essentially near L=6-10 RS at Saturn). The understanding of this influence may be used for other missions using Langmuir probes, such as the future missions JUICE at Jupiter, BepiColombo at Mercury, or even the probes in the Earth magnetosphere.

  6. Ion energy distributions, electron temperatures, and electron densities in Ar, Kr, and Xe pulsed discharges

    SciTech Connect

    Shin, Hyungjoo; Zhu Weiye; Economou, Demetre J.; Donnelly, Vincent M.

    2012-05-15

    Ion energy distributions (IEDs) were measured near the edge of Faraday-shielded, inductively coupled pulsed plasmas in Ar, Kr, or Xe gas, while applying a synchronous dc bias on a boundary electrode, late in the afterglow. The magnitudes of the full width at half maximum of the IEDs were Xe > Kr > Ar, following the order of the corresponding electron temperatures in the afterglow, T{sub e}(Xe) > T{sub e}(Kr) > T{sub e}(Ar). The measured decays of T{sub e} with time in the afterglow were in excellent agreement with predictions from a global model. Measured time-resolved electron and positive ion densities near the plasma edge did not decay appreciably, even in the 80 {mu}s long afterglow. This was attributed to transport of ions and electrons from the higher density central region of the plasma to the edge region, balancing the loss of plasma due to diffusion. This provides a convenient means of maintaining a relatively constant plasma density in the afterglow during processing using pulsed plasmas.

  7. Additive Manufacturing in Offsite Repair of Consumer Electronics

    NASA Astrophysics Data System (ADS)

    Chekurov, Sergei; Salmi, Mika

    Spare parts for products that are at the end of their life cycles, but still under warranty, are logistically difficult because they are commonly not stored in the central warehouse. These uncommon spare parts occupy valuable space in smaller inventories and take a long time to be transported to the point of need, thus delaying the repair process. This paper proposes that storing the spare parts on a server and producing them with additive manufacturing (AM) on demand can shorten the repair cycle by simplifying the logistics. Introducing AM in the repair supply chain lowers the number of products that need to be reimbursed to the customer due to lengthy repairs, improves the repair statistics of the repair shops, and reduces the number of items that are held in stock. For this paper, the functionality of the concept was verified by reverse engineering a memory cover of a portable computer and laser sintering it from polyamide 12. The additively manufactured component fit well and the computer operated normally after the replacement. The current spare part supply chain model and models with AM machinery located at the repair shop, the centralized spare part provider, and the original equipment manufacturer were provided. The durations of the repair process in the models were compared by simulating two scenarios with the Monte Carlo method. As the biggest improvement, the model with the AM machine in the repair shop reduced the duration of the repair process from 14 days to three days. The result points to the conclusion that placing the machine as close to the need as possible is the best option, if there is enough demand. The spare parts currently compatible with AM are plastic components without strict surface roughness requirements, but more spare parts will become compatible with the development of AM.

  8. 36 CFR 1236.22 - What are the additional requirements for managing electronic mail records?

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... requirements for managing electronic mail records? 1236.22 Section 1236.22 Parks, Forests, and Public Property... Requirements for Electronic Records § 1236.22 What are the additional requirements for managing electronic mail... requirements for electronic mail records: (1) The names of sender and all addressee(s) and date the message...

  9. 36 CFR 1236.22 - What are the additional requirements for managing electronic mail records?

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... requirements for managing electronic mail records? 1236.22 Section 1236.22 Parks, Forests, and Public Property... Requirements for Electronic Records § 1236.22 What are the additional requirements for managing electronic mail... requirements for electronic mail records: (1) The names of sender and all addressee(s) and date the message...

  10. 36 CFR 1236.22 - What are the additional requirements for managing electronic mail records?

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... requirements for managing electronic mail records? 1236.22 Section 1236.22 Parks, Forests, and Public Property... Requirements for Electronic Records § 1236.22 What are the additional requirements for managing electronic mail... requirements for electronic mail records: (1) The names of sender and all addressee(s) and date the message...

  11. Shack-Hartmann Electron Densitometer (SHED): An Optical System for Diagnosing Free Electron Density in Laser-Produced Plasmas

    DTIC Science & Technology

    2016-11-01

    show the temporal evolution of the plasma long after the driving laser pulse has left. The method can be further improved by enclosing the probe beam...radiation4–9 and electrical discharges10–12 would depend critically on the evolution and structure of the free electron density. Current concepts to measure...phasefront map for f = 50 cm at varying energies In addition, by using a delay line in the path of the probe beam, one can image the evolution of the

  12. Pauling bond strength, bond length and electron density distribution

    SciTech Connect

    Gibbs, Gerald V.; Ross, Nancy L.; Cox, David F.; Rosso, Kevin M.; Iversen, Bo B.; Spackman, M. A.

    2014-01-18

    A power law regression equation, = 1.46(<ρ(rc)>/r)-0.19, connecting the average experimental bond lengths, , with the average accumulation of the electron density at the bond critical point, <ρ(rc)>, between bonded metal M and oxygen atoms, determined at ambient conditions for oxide crystals, where r is the row number of the M atom, is similar to the regression equation R(M-O) = 1.39(ρ(rc)/r)-0.21 determined for three perovskite crystals for pressures as high as 80 GPa. The two equations are also comparable with those, = 1.43(/r)-0.21, determined for a large number of oxide crystals at ambient conditions and = 1.39(/r)-0.22, determined for geometry optimized hydroxyacid molecules, that connect the bond lengths to the average Pauling electrostatic bond strength, , for the M-O bonded interactions. On the basis of the correspondence between the two sets of equations connecting ρ(rc) and the Pauling bond strength s with bond length, it appears that Pauling’s simple definition of bond strength closely mimics the accumulation of the electron density between bonded pairs of atoms. The similarity of the expressions for the crystals and molecules is compelling evidence that the M-O bonded interactions for the crystals and molecules 2 containing the same bonded interactions are comparable. Similar expressions, connecting bond lengths and bond strength, have also been found to hold for fluoride, nitride and sulfide molecules and crystals. The Brown-Shannon bond valence, σ, power law expression σ = [R1/(R(M-O)]N that has found wide use in crystal chemistry, is shown to be connected to a more universal expression determined for oxides and the perovskites, <ρ(rc)> = r[(1.41)/]4.76, demonstrating that the bond valence for a bonded interaction is likewise closely connected to the accumulation of the electron density between the bonded atoms. Unlike the Brown-Shannon expression, it is universal in that it holds for the M

  13. Propagation of terahertz electromagnetic waves in a magnetized plasma with inhomogeneous electron density and collision frequency

    NASA Astrophysics Data System (ADS)

    Guo, LinJing; Guo, LiXin; Li, JiangTing

    2017-02-01

    This study theoretically analyzes the propagation properties of terahertz (THz) electromagnetic waves in a magnetized plasma that is inhomogeneous in both collision frequency and electron density. Three parabolic profiles are adopted to describe the inhomogeneity of these two parameters in the plasma slab. Numerical calculation results show that when a magnetic field is applied, an absorption valley appears near the middle of the absorption peak. The characteristics of the absorption spectra are affected by two factors: (1) the parameters in the plasma's first layer, which is the border between the air and the plasma and (2) the gradient of the parameters across the entire plasma. Specifically, a more substantial difference between the inhomogeneous plasma and the uniform plasma corresponds to a greater difference between the two absorption spectra. In addition, electron density, plasma thickness, and collision frequency also play important roles in the propagation.

  14. Diagnostics principle of microwave cut-off probe for measuring absolute electron density

    SciTech Connect

    Jun, Hyun-Su

    2014-08-15

    A generalized diagnostics principle of microwave cut-off probe is presented with a full analytical solution. In previous studies on the microwave cut-off measurement of weakly ionized plasmas, the cut-off frequency ω{sub c} of a given electron density is assumed to be equal to the plasma frequency ω{sub p} and is predicted using electromagnetic simulation or electric circuit model analysis. However, for specific plasma conditions such as highly collisional plasma and a very narrow probe tip gap, it has been found that ω{sub c} and ω{sub p} are not equal. To resolve this problem, a generalized diagnostics principle is proposed by analytically solving the microwave cut-off condition Re[ε{sub r,eff}(ω = ω{sub c})] = 0. In addition, characteristics of the microwave cut-off condition are theoretically tested for correct measurement of the absolute electron density.

  15. Estimates of the Electron Density Profile on LTX Using FMCW Reflectometry and mm-Wave Interferometry

    NASA Astrophysics Data System (ADS)

    Peebles, W. A.; Kubota, S.; Nguyen, X. V.; Holoman, T.; Kaita, R.; Kozub, T.; Labrie, D.; Schmitt, J. C.; Majeski, R.

    2014-10-01

    An FMCW (frequency-modulated continuous-wave) reflectometer has been installed on the Lithium Tokamak Experiment (LTX) for electron density profile and fluctuation measurements. This diagnostic consists of two channels using bistatic antennas with a combined frequency coverage of 13.5 -33 GHz, which corresponds to electron density measurements in the range of 0 . 2 - 1 . 3 ×1013 cm-3 (in O-mode). Initial measurements will utilize O-mode polarization, which will require modeling of the plasma edge. Reflections from the center stack (delayometry above the peak cutoff frequency), as well as line density measurements from a 296 GHz interferometer (single-chord, radial midplane), will provide constraints for the profile reconstruction/estimate. Typical chord-averaged line densities on LTX range from 2 -6 ×1012 cm-3, which correspond to peak densities of 0 . 6 - 1 . 8 ×1013 cm-3 assuming a parabolic shape. If available, EFIT/LRDFIT results will provide additional constraints, as well as the possibility of utilizing data from measurements with X-mode or dual-mode (simultaneous O- and X-mode) polarization. Supported by U.S. DoE Grants DE-FG02-99ER54527 and DE-AC02-09CH11466.

  16. High Energy Density Additives for Hybrid Fuel Rockets to Improve Performance and Enhance Safety

    NASA Technical Reports Server (NTRS)

    Jaffe, Richard L.

    2014-01-01

    We propose a conceptual study of prototype strained hydrocarbon molecules as high energy density additives for hybrid rocket fuels to boost the performance of these rockets without compromising safety and reliability. Use of these additives could extend the range of applications for which hybrid rockets become an attractive alternative to conventional solid or liquid fuel rockets. The objectives of the study were to confirm and quantify the high enthalpy of these strained molecules and to assess improvement in rocket performance that would be expected if these additives were blended with conventional fuels. We confirmed the chemical properties (including enthalpy) of these additives. However, the predicted improvement in rocket performance was too small to make this a useful strategy for boosting hybrid rocket performance.

  17. Tapanuli Organoclay Addition Into Linear Low Density Polyethylene-Pineapple Fiber Composites

    SciTech Connect

    Adawiyah, Robiatul; Juwono, Ariadne L.; Roseno, Seto

    2010-12-23

    Linear low density polyethylene-Tapanuli organoclay-pineapple fiber composites were succesfully synthesized by a melt intercalation method. The clay was modified as an organoclay by a cation exchange reaction using hexadecyl trimethyl ammonium bromide (HDTMABr) surfactant. The X-ray diffraction results of the organoclay exhibited a higher basal spacing of 1.87 nm compared to the unmodified clay of 1.46 nm. The composite tensile strength was enhanced up to 46.4% with the 1 wt% organoclay addition. Both tensile and flexural moduli increased up to 150.6% and 43% with the 3 wt% organoclay addition to the composites. However, the flexural strength of the composites was not improved with the organoclay addition. The addition of organoclay has also decreased the heat deflection temperature of the composites.

  18. Tapanuli Organoclay Addition Into Linear Low Density Polyethylene-Pineapple Fiber Composites

    NASA Astrophysics Data System (ADS)

    Adawiyah, Robiatul; Juwono, Ariadne L.; Roseno, Seto

    2010-12-01

    Linear low density polyethylene-Tapanuli organoclay-pineapple fiber composites were succesfully synthesized by a melt intercalation method. The clay was modified as an organoclay by a cation exchange reaction using hexadecyl trimethyl ammonium bromide (HDTMABr) surfactant. The X-ray diffraction results of the organoclay exhibited a higher basal spacing of 1.87 nm compared to the unmodified clay of 1.46 nm. The composite tensile strength was enhanced up to 46.4% with the 1 wt% organoclay addition. Both tensile and flexural moduli increased up to 150.6% and 43% with the 3 wt% organoclay addition to the composites. However, the flexural strength of the composites was not improved with the organoclay addition. The addition of organoclay has also decreased the heat deflection temperature of the composites.

  19. Pair 2-electron reduced density matrix theory using localized orbitals

    NASA Astrophysics Data System (ADS)

    Head-Marsden, Kade; Mazziotti, David A.

    2017-08-01

    Full configuration interaction (FCI) restricted to a pairing space yields size-extensive correlation energies but its cost scales exponentially with molecular size. Restricting the variational two-electron reduced-density-matrix (2-RDM) method to represent the same pairing space yields an accurate lower bound to the pair FCI energy at a mean-field-like computational scaling of O (r3) where r is the number of orbitals. In this paper, we show that localized molecular orbitals can be employed to generate an efficient, approximately size-extensive pair 2-RDM method. The use of localized orbitals eliminates the substantial cost of optimizing iteratively the orbitals defining the pairing space without compromising accuracy. In contrast to the localized orbitals, the use of canonical Hartree-Fock molecular orbitals is shown to be both inaccurate and non-size-extensive. The pair 2-RDM has the flexibility to describe the spectra of one-electron RDM occupation numbers from all quantum states that are invariant to time-reversal symmetry. Applications are made to hydrogen chains and their dissociation, n-acene from naphthalene through octacene, and cadmium telluride 2-, 3-, and 4-unit polymers. For the hydrogen chains, the pair 2-RDM method recovers the majority of the energy obtained from similar calculations that iteratively optimize the orbitals. The localized-orbital pair 2-RDM method with its mean-field-like computational scaling and its ability to describe multi-reference correlation has important applications to a range of strongly correlated phenomena in chemistry and physics.

  20. A restoration model of distorted electron density in wave-cutoff probe measurement

    SciTech Connect

    Jun, Hyun-Su Lee, Yun-Seong

    2014-02-15

    This study investigates the problem of electron density distortion and how the density can be restored in a wave-cutoff probe. Despite recent plasma diagnostics research using a wave-cutoff probe, the problem of electron density distortion caused by plasma conditions has not been resolved. Experimental results indicate that electron density measured using the wave-cutoff method is highly susceptible to variations in the probe tip gap. This electron density distortion is caused by the bulk plasma disturbance between probe tips, and it must be removed for calculating the absolute electron density. To do this, a detailed analytic model was developed using the power balance equation near probe tips. This model demonstrates the characteristics of plasma distortion in wave-cutoff probe measurement and successfully restored the absolute value of electron density with varying probe tip gaps.

  1. A basis set convergence study of conventional and HSF electron densities in the Li 2 molecule

    NASA Astrophysics Data System (ADS)

    Challacombe, Matt; Cioslowski, Jerzy

    1994-07-01

    Calculations of nonnuclear, Hartree-Fock HSF and CHSF electron densities are reported for the first time. The positions of critical points in the conventional, HSF, and CHSF electron densities of the Li 2 molecule (including the nonnuclear maximum) and corresponding values of the electron density are computed for a sequence of systematically improved basis sets. The basis set convergence of these topological properties, as well as that of the densities at nuclei, are examined. Quantities derived from HSF and CHSF electron densities are found to converge more rapidly than their conventional counterparts.

  2. Exploring the temporally resolved electron density evolution in extreme ultra-violet induced plasmas

    NASA Astrophysics Data System (ADS)

    van der Horst, R. M.; Beckers, J.; Nijdam, S.; Kroesen, G. M. W.

    2014-07-01

    We measured the electron density in an extreme ultra-violet (EUV) induced plasma. This is achieved in a low-pressure argon plasma by using a method called microwave cavity resonance spectroscopy. The measured electron density just after the EUV pulse is 2.6 × 1016 m-3. This is in good agreement with a theoretical prediction from photo-ionization, which yields a density of 4.5 × 1016 m-3. After the EUV pulse the density slightly increases due to electron impact ionization. The plasma (i.e. electron density) decays in tens of microseconds.

  3. Modeling of free electronic state density in hydrogenic plasmas based on nearest neighbor approximation

    SciTech Connect

    Nishikawa, Takeshi

    2014-07-15

    Most conventional atomic models in a plasma do not treat the effect of the plasma on the free-electron state density. Using a nearest neighbor approximation, the state densities in hydrogenic plasmas for both bound and free electrons were evaluated and the effect of the plasma on the atomic model (especially for the state density of the free electron) was studied. The model evaluates the electron-state densities using the potential distribution formed by the superposition of the Coulomb potentials of two ions. The potential from one ion perturbs the electronic state density on the other. Using this new model, one can evaluate the free-state density without making any ad-hoc assumptions. The resulting contours of the average ionization degree, given as a function of the plasma temperature and density, are shifted slightly to lower temperatures because of the effect of the increasing free-state density.

  4. Device and method for electron beam heating of a high density plasma

    DOEpatents

    Thode, L.E.

    A device and method for relativistic electron beam heating of a high density plasma in a small localized region are described. A relativistic electron beam generator produces a high voltage electron beam which propagates along a vacuum drift tube and is modulated to initiate electron bunching within the beam. The beam is then directed through a low density gas chamber which provides isolation between the vacuum modulator and the relativistic electron beam target. The relativistic beam is then applied to a high density target plasma which typically comprises DT, DD, hydrogen boron or similar thermonuclear gas at a density of 10/sup 17/ to 10/sup 20/.

  5. Absolute Measurement of Electron Cloud Density in aPositively-Charged Particle Beam

    SciTech Connect

    Kireeff Covo, Michel; Molvik, Arthur W.; Friedman, Alex; Vay,Jean-Luc; Seidl, Peter A.; Logan, Grant; Baca, David; Vujic, Jasmina L.

    2006-04-27

    Clouds of stray electrons are ubiquitous in particle accelerators and frequently limit the performance of storage rings. Earlier measurements of electron energy distribution and flux to the walls provided only a relative electron cloud density. We have measured electron accumulation using ions expelled by the beam. The ion energy distribution maps the depressed beam potential and gives the dynamic cloud density. Clearing electrode current reveals the static background cloud density, allowing the first absolute measurement of the time-dependent electron cloud density during the beam pulse.

  6. Absolute Measurement of Electron Cloud Density in a Positively-Charged Particle Beam

    SciTech Connect

    Covo, M K; Molvik, A W; Friedman, A; Vay, J; Seidl, P A; Logan, B G; Baca, D; Vujic, J L

    2006-05-18

    Clouds of stray electrons are ubiquitous in particle accelerators and frequently limit the performance of storage rings. Earlier measurements of electron energy distribution and flux to the walls provided only a relative electron cloud density. We have measured electron accumulation using ions expelled by the beam. The ion energy distribution maps the depressed beam potential and gives the dynamic cloud density. Clearing electrode current reveals the static background cloud density, allowing the first absolute measurement of the time-dependent electron cloud density during the beam pulse.

  7. Absolute measurement of electron-cloud density in a positively charged particle beam.

    PubMed

    Kireeff Covo, Michel; Molvik, Arthur W; Friedman, Alex; Vay, Jean-Luc; Seidl, Peter A; Logan, Grant; Baca, David; Vujic, Jasmina L

    2006-08-04

    Clouds of stray electrons are ubiquitous in particle accelerators and frequently limit the performance of storage rings. Earlier measurements of electron energy distribution and flux to the walls provided only a relative electron-cloud density. We have measured electron accumulation using ions expelled by the beam. The ion energy distribution maps the depressed beam potential and gives the dynamic cloud density. Clearing electrode current reveals the static background cloud density, allowing the first absolute measurement of the time-dependent electron-cloud density during the beam pulse.

  8. Enhanced modified faraday cup for determination of power density distribution of electron beams

    DOEpatents

    Elmer, John W.; Teruya, Alan T.

    2001-01-01

    An improved tomographic technique for determining the power distribution of an electron or ion beam using electron beam profile data acquired by an enhanced modified Faraday cup to create an image of the current density in high and low power ion or electron beams. A refractory metal disk with a number of radially extending slits, one slit being about twice the width of the other slits, is placed above a Faraday cup. The electron or ion beam is swept in a circular pattern so that its path crosses each slit in a perpendicular manner, thus acquiring all the data needed for a reconstruction in one circular sweep. The enlarged slit enables orientation of the beam profile with respect to the coordinates of the welding chamber. A second disk having slits therein is positioned below the first slit disk and inside of the Faraday cup and provides a shield to eliminate the majority of secondary electrons and ions from leaving the Faraday cup. Also, a ring is located below the second slit disk to help minimize the amount of secondary electrons and ions from being produced. In addition, a beam trap is located in the Faraday cup to provide even more containment of the electron or ion beam when full beam current is being examined through the center hole of the modified Faraday cup.

  9. Structural and electronic properties of small silver-sulfur clusters: A density functional study

    NASA Astrophysics Data System (ADS)

    Li, Yan-Fang; Li, Yang; Li, Ying; Tan, Jia-Jin; Li, Hui-Li

    2016-10-01

    Density functional theory calculations have been performed to systematically investigate the structural and electronic properties of neutral and anionic AgnSm (2≤n+m≤6) clusters. The results show that the ground-state structures of neutral clusters are different from those of anionic clusters. Theoretical electron detachment energies (both vertical and adiabatic) are compared with the experimental measurements to verify the ground states of silver-sulfur clusters obtained in the present study. For both neutral and anionic systems, the highest occupied-lowest unoccupied molecular orbital energy gaps exhibit an odd-even oscillation as a function of the cluster size. In addition, the natural population analysis reveals that the charges transfer from Ag atoms to S atoms in AgnSm clusters, and the extra electron of AgnSm- clusters is mainly localized on the 3p subshells of S atoms.

  10. Influence of additive laser manufacturing parameters on surface using density of partially melted particles

    NASA Astrophysics Data System (ADS)

    Rosa, Benoit; Brient, Antoine; Samper, Serge; Hascoët, Jean-Yves

    2016-12-01

    Mastering the additive laser manufacturing surface is a real challenge and would allow functional surfaces to be obtained without finishing. Direct Metal Deposition (DMD) surfaces are composed by directional and chaotic textures that are directly linked to the process principles. The aim of this work is to obtain surface topographies by mastering the operating process parameters. Based on experimental investigation, the influence of operating parameters on the surface finish has been modeled. Topography parameters and multi-scale analysis have been used in order to characterize the DMD obtained surfaces. This study also proposes a methodology to characterize DMD chaotic texture through topography filtering and 3D image treatment. In parallel, a new parameter is proposed: density of particles (D p). Finally, this study proposes a regression modeling between process parameters and density of particles parameter.

  11. Properties of short-range and long-range correlation energy density functionals from electron-electron coalescence

    SciTech Connect

    Gori-Giorgi, Paola; Savin, Andreas

    2006-03-15

    The combination of density-functional theory with other approaches to the many-electron problem through the separation of the electron-electron interaction into a short-range and a long-range contribution is a promising method, which is raising more and more interest in recent years. In this work some properties of the corresponding correlation energy functionals are derived by studying the electron-electron coalescence condition for a modified (long-range-only) interaction. A general relation for the on-top (zero electron-electron distance) pair density is derived, and its usefulness is discussed with some examples. For the special case of the uniform electron gas, a simple parametrization of the on-top pair density for a long-range only interaction is presented and supported by calculations within the ''extended Overhauser model.'' The results of this work can be used to build self-interaction corrected short-range correlation energy functionals.

  12. Additives

    NASA Technical Reports Server (NTRS)

    Smalheer, C. V.

    1973-01-01

    The chemistry of lubricant additives is discussed to show what the additives are chemically and what functions they perform in the lubrication of various kinds of equipment. Current theories regarding the mode of action of lubricant additives are presented. The additive groups discussed include the following: (1) detergents and dispersants, (2) corrosion inhibitors, (3) antioxidants, (4) viscosity index improvers, (5) pour point depressants, and (6) antifouling agents.

  13. Additives

    NASA Technical Reports Server (NTRS)

    Smalheer, C. V.

    1973-01-01

    The chemistry of lubricant additives is discussed to show what the additives are chemically and what functions they perform in the lubrication of various kinds of equipment. Current theories regarding the mode of action of lubricant additives are presented. The additive groups discussed include the following: (1) detergents and dispersants, (2) corrosion inhibitors, (3) antioxidants, (4) viscosity index improvers, (5) pour point depressants, and (6) antifouling agents.

  14. Solar activity variations of nighttime ionospheric peak electron density

    NASA Astrophysics Data System (ADS)

    Chen, Yiding; Liu, Libo; Le, Huijun

    2008-11-01

    Monthly median NmF2 (maximum electron density of the F2-layer) data at Okinawa, Yamagawa, Kokubunji, and Wakkanai have been collected to investigate the solar activity dependence of the nighttime ionosphere. The result shows that there are seasonal and latitudinal differences of the solar activity variation of nighttime NmF2. The main seasonal effects are as follows: nighttime NmF2 increases with F107 linearly in equinoctial months (March and September), and it tends to saturate with F107 increasing in summer solstice month (June). What is peculiar is that there is an amplification trend of nighttime NmF2 with F107 in winter solstice month (December). The latitudinal difference is mainly displayed by the evolvement course of the variation trend between NmF2 and F107. Using hmF2 (peak height of the F2-layer) data and the NRLMSISE00 model, we estimated the recombination loss around the F2-peak at different solar activity levels. We found that the solar activity variation of the recombination processes around the F2-peak also shows seasonal dependence, which can explain the variation trends of nighttime NmF2 with F107 qualitatively, and field-aligned plasma influx plays an important role in the equatorial ionization anomaly (EIA) crest region. During the first several hours following sunset in December, there are faster recombination processes around the F2-peak at medium solar activity level in mid-latitude regions. This feature is suggested to be responsible for inducing the amplification trend in winter. In virtue of the calculation of neutral parameters at 300-km altitude and hmF2 data, the variation trend of the recombination processes around the F2-peak with F107 can be explained. It shows that both the solar activity variations of hmF2 and neutral parameters (neutral temperature, density, and vibrational excited N2) are important for the variation trend of nighttime NmF2 with F107. Furthermore, the obvious uplift of hmF2 at low solar activity level following

  15. Electronically swept millimeter-wave interferometer for spatially resolved measurement of plasma electron density.

    PubMed

    Howard, John; Oliver, David

    2006-12-01

    We report the development and initial implementation of what we believe to be a new rapid- spatial-scan millimeter-wave interferometer for plasma density measurements. The fast scan is effected by electronic frequency sweeping of a wideband (180-280 GHz) backward-wave oscillator whose output is focused onto a fixed blazed diffraction grating. The system, which augments the rotating-grating scanned multiview H-1 heliac interferometer, can sweep the plasma cross section in a period of less than 1 ms with a beam diameter in the plasma of 20 mm and phase noise of the order of 0.01 rad.

  16. Possible cause of enhancement of electron temperature in high electron density region in the dayside ionosphere

    NASA Astrophysics Data System (ADS)

    Kakinami, Yoshihiro; Watanabe, Shigeto

    2016-07-01

    When neutral atmosphere is ionized by solar EUV, energetic electrons named photoelectrons are emitted. The photoelectrons are primary heat source of electrons in the ionosphere in the daytime. The heating rate of electron by photoelectron is proportion to 0.97 power of electron density (Ne) while the heated electron is cooled through the Column collision with ions, the rate of which rate is square of Ne. Therefore, electron temperature (Te) decreases and approach ion temperature (Ti) with increase of Ne. Ions are also cooled through the collision with neutral spices. Finally, these temperatures (Te, Ti and Tn) show very similar values in high Ne region. However, Te enhancement with increase of Ne is found in the satellite observation at 600 km in the daytime ionosphere [Kakinami et al., 2011]. Similar Ti variation is also found around the magnetic dip equator [Kakinami et al., 2014]. One possible cause of the enhancement of Te is enhacement of Tn with increase Ne because both Ne and Tn increase with increase of solar irradiance flux, F10.7 [Lei et al., 2007]. However, since such the enhancements of Te are seen in any F10.7, it is hard to explain the phenomenon. In this paper, we present correlation between Te (Ti) and Ne obtained by the Incoherent Scatter radar at Jicamarca. The similar correlation, namely positive correlation of Te (Ti) with Ne in high Ne region are found above 300 km. Using the observations and Tn and neutral density calculated with MSIS, the Column collision cooling with ions, and inelastic collision cooling with neutral spices for electron are shown. The heat conduction along the magnetic field line is also estimated by using IRI model. Using these information, we discuss possible cause of the enhancement of Te in the high Ne region. References Kakinami et al. (2011), J. Geophys. Res., doi:10.1029/2011JA016905. Kakinami et al. (2014), J. Geophys. Res., 119, doi:10.1002/2014JA020302. Lei et al.(2007), J. Geophys. Res., doi:10.1029/2006JA012041.

  17. Microwave techniques for electron density measurements in low pressure RF plasmas

    NASA Astrophysics Data System (ADS)

    Zheltukhin, Viktor; Gafarov, Ildar; Shemakhin, Alexander

    2016-09-01

    Results of the experimental studying of RF plasma jet at low pressure in the range of 10 - 300 Pa is presented. The electron density distribution both in inductive and in capacitive coupled RF discharges was measured at 1.76 MHz and 13.56 MHz consequently. We used three independent microwave diagnostic techniques such as free space (the ``two-frequency'' and ``on the cut-off signal'') and a resonator. It is found that the electron density in the RF plasma jets is by 1-2 orders of magnitude greater than in the decaying plasma jet, and by 1-2 orders of magnitude less than in the RF plasma torch. Thus the RF plasma jet is similar to the additional discharge between the electrodes or the coil and the vacuum chamber walls. As a consequence, the formation of the positive charge sheath near the specimen placed in plasma stream is observed. It is found that the maximum of ionization degree as well as more uniform electron density distribution across the stream is observed in the range of the gas flow rate Gg = 0 . 06 - 0 . 12 g/s and the discharge power Pd = 0 . 5 - 2 . 5 kW. The work was funded by RFBR, according to the research projects No. 16-31-60081 mol_a_dk.

  18. Grand canonical electronic density-functional theory: Algorithms and applications to electrochemistry

    DOE PAGES

    Sundararaman, Ravishankar; Goddard, III, William A.; Arias, Tomas A.

    2017-03-16

    First-principles calculations combining density-functional theory and continuum solvation models enable realistic theoretical modeling and design of electrochemical systems. When a reaction proceeds in such systems, the number of electrons in the portion of the system treated quantum mechanically changes continuously, with a balancing charge appearing in the continuum electrolyte. A grand-canonical ensemble of electrons at a chemical potential set by the electrode potential is therefore the ideal description of such systems that directly mimics the experimental condition. We present two distinct algorithms: a self-consistent field method and a direct variational free energy minimization method using auxiliary Hamiltonians (GC-AuxH), to solvemore » the Kohn-Sham equations of electronic density-functional theory directly in the grand canonical ensemble at fixed potential. Both methods substantially improve performance compared to a sequence of conventional fixed-number calculations targeting the desired potential, with the GC-AuxH method additionally exhibiting reliable and smooth exponential convergence of the grand free energy. Lastly, we apply grand-canonical density-functional theory to the under-potential deposition of copper on platinum from chloride-containing electrolytes and show that chloride desorption, not partial copper monolayer formation, is responsible for the second voltammetric peak.« less

  19. Grand canonical electronic density-functional theory: Algorithms and applications to electrochemistry

    NASA Astrophysics Data System (ADS)

    Sundararaman, Ravishankar; Goddard, William A.; Arias, Tomas A.

    2017-03-01

    First-principles calculations combining density-functional theory and continuum solvation models enable realistic theoretical modeling and design of electrochemical systems. When a reaction proceeds in such systems, the number of electrons in the portion of the system treated quantum mechanically changes continuously, with a balancing charge appearing in the continuum electrolyte. A grand-canonical ensemble of electrons at a chemical potential set by the electrode potential is therefore the ideal description of such systems that directly mimics the experimental condition. We present two distinct algorithms: a self-consistent field method and a direct variational free energy minimization method using auxiliary Hamiltonians (GC-AuxH), to solve the Kohn-Sham equations of electronic density-functional theory directly in the grand canonical ensemble at fixed potential. Both methods substantially improve performance compared to a sequence of conventional fixed-number calculations targeting the desired potential, with the GC-AuxH method additionally exhibiting reliable and smooth exponential convergence of the grand free energy. Finally, we apply grand-canonical density-functional theory to the under-potential deposition of copper on platinum from chloride-containing electrolytes and show that chloride desorption, not partial copper monolayer formation, is responsible for the second voltammetric peak.

  20. Electron momentum density, band structure, and structural properties of SrS

    SciTech Connect

    Sharma, G.; Munjal, N.; Vyas, V.; Kumar, R.; Sharma, B. K.; Joshi, K. B.

    2013-10-15

    The electron momentum density, the electronic band structure, and the structural properties of SrS are presented in this paper. The isotropic Compton profile, anisotropies in the directional Compton profiles, the electronic band structure and density of states are calculated using the ab initio periodic linear combination of atomic orbitals method with the CRYSTAL06 code. Structural parameters of SrS-lattice constants and bulk moduli in the B1 and B2 phases-are computed together with the transition pressure. The computed parameters are well in agreement with earlier investigations. To compare the calculated isotropic Compton profile, measurement on polycrystalline SrS is performed using 5Ci-{sup 241}Am Compton spectrometer. Additionally, charge transfer is studied by means of the Compton profiles computed from the ionic model. The nature of bonding in the isovalent SrS and SrO compounds is compared on the basis of equal-valenceelectron-density profiles and the bonding in SrS is found to be more covalent than in SrO.

  1. Comparing two iteration algorithms of Broyden electron density mixing through an atomic electronic structure computation

    NASA Astrophysics Data System (ADS)

    Man-Hong, Zhang

    2016-05-01

    By performing the electronic structure computation of a Si atom, we compare two iteration algorithms of Broyden electron density mixing in the literature. One was proposed by Johnson and implemented in the well-known VASP code. The other was given by Eyert. We solve the Kohn-Sham equation by using a conventional outward/inward integration of the differential equation and then connect two parts of solutions at the classical turning points, which is different from the method of the matrix eigenvalue solution as used in the VASP code. Compared to Johnson’s algorithm, the one proposed by Eyert needs fewer total iteration numbers. Project supported by the National Natural Science Foundation of China (Grant No. 61176080).

  2. Dark Matter Haloes: an Additional Criterion for the Choice of Fitting Density Profiles

    NASA Astrophysics Data System (ADS)

    Caimmi, R.; Marmo, C.

    2004-12-01

    Simulated dark matter haloes are fitted by self-similar, universal density profiles, where the scaled parameters depend only on a scaled (truncation) radius, Xi=R/r0, which, in turn, is supposed to be independent of the mass and the formation redshift. The further assumption of a lognormal distribution (for a selected mass bin) of the scaled radius, or concentration, in agreement with the data from a large statistical sample of simulated haloes (Bullock et al. 2001), allows (at least to a first approximation) a normal or lognormal distribution for other scaled parameters, via the same procedure which leads to the propagation of the errors. A criterion is proposed for the choice of the best fitting density profile, with regard to a set of high-resolution simulations, where some averaging procedure on scaled density profiles has been performed, in connection with a number of fitting density profiles. To this aim, a minimum value of the ratio, | x\\overline{η}|/ σs,\\overline{η}= |\\overline{η}- η*|/σs,\\overline{η}, is required to yield the best fit, where \\overline{η} is the arithmetic mean over the whole set; η* is its counterpart related to the fitting density profile; σs,\\overline{η} is the standard deviation from the mean; and η is a selected, scaled i.e. dimensionless parameter. The above criterion is applied to a pair of sets each made of a dozen of high-resolution simulations, FM01 (Fukushige and Makino 2001) and KLA01 (Klypin et al. 2001), in connection with two currently used fitting density profiles, NFW (e.g. Navarro et al. 1997) and MOA (e.g. Moore et al. 1999), where the dependence of the scaled radius on the mass and the formation redshift may be neglected to a first extent. With regard to FM01 and KLA01 samples, the best fits turn out to be MOA and NFW, respectively. In addition, the above results also hold in dealing with rms errors derived via the propagation of the errors, with regard to the distributions of scaled parameters. The

  3. DAMQT: A package for the analysis of electron density in molecules

    NASA Astrophysics Data System (ADS)

    López, Rafael; Rico, Jaime Fernández; Ramírez, Guillermo; Ema, Ignacio; Zorrilla, David

    2009-09-01

    DAMQT is a package for the analysis of the electron density in molecules and the fast computation of the density, density deformations, electrostatic potential and field, and Hellmann-Feynman forces. The method is based on the partition of the electron density into atomic fragments by means of a least deformation criterion. Each atomic fragment of the density is expanded in regular spherical harmonics times radial factors, which are piecewise represented in terms of analytical functions. This representation is used for the fast evaluation of the electrostatic potential and field generated by the electron density and nuclei, as well as for the computation of the Hellmann-Feynman forces on the nuclei. An analysis of the atomic and molecular deformations of the density can be also carried out, yielding a picture that connects with several concepts of the empirical structural chemistry. Program summaryProgram title: DAMQT1.0 Catalogue identifier: AEDL_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEDL_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GPLv3 No. of lines in distributed program, including test data, etc.: 278 356 No. of bytes in distributed program, including test data, etc.: 31 065 317 Distribution format: tar.gz Programming language: Fortran90 and C++ Computer: Any Operating system: Linux, Windows (Xp, Vista) RAM: 190 Mbytes Classification: 16.1 External routines: Trolltech's Qt (4.3 or higher) ( http://www.qtsoftware.com/products), OpenGL (1.1 or higher) ( http://www.opengl.org/), GLUT 3.7 ( http://www.opengl.org/resources/libraries/glut/). Nature of problem: Analysis of the molecular electron density and density deformations, including fast evaluation of electrostatic potential, electric field and Hellmann-Feynman forces on nuclei. Solution method: The method of Deformed Atoms in Molecules, reported elsewhere [1], is used for partitioning the molecular electron density

  4. Electrically induced charge-density waves in a two-dimensional electron liquid: Effects of negative electronic compressibility

    NASA Astrophysics Data System (ADS)

    Hroblak, Erica E.; Principi, Alessandro; Zhao, Hui; Vignale, Giovanni

    2017-08-01

    We show that the negative electronic compressibility of two-dimensional electronic systems at sufficiently low density enables the generation of charge-density waves through the application of a uniform force field, provided no current is allowed to flow. The wavelength of the density oscillations is controlled by the magnitude of the (negative) screening length, and their amplitude is proportional to the applied force. Both are electrically tunable.

  5. Nanosecond Enhancements of the Atmospheric Electron Density by Extensive Air Showers

    NASA Astrophysics Data System (ADS)

    Rutjes, C.; Camporeale, E.; Ebert, U.; Buitink, S.; Scholten, O.; Trinh, G. T. N.; Witteveen, J.

    2015-12-01

    As is well known a sufficient density of free electrons and strong electric fields are the basic requirements to start any electrical discharge. In the context of thunderstorm discharges it has become clear that in addition droplets and or ice particles are required to enhance the electric field to values above breakdown. In our recent study [1] we have shown that these three ingredients have to interplay to allow for lightning inception, triggered by an extensive air shower event. The extensive air showers are a very stochastic natural phenomenon, creating highly coherent sub-nanosecond enhancements of the atmospheric electron density. Predicting these electron density enhancements accurately one has to take the uncertainty of the input variables into account. For this study we use the initial energy, inclination and altitude of first interaction, which will influence the evolution of the shower significantly. To this end, we use the stochastic collocation method, [2] to post-process our detailed Monte Carlo extensive air shower simulations, done with the CORSIKA [3] software package, which provides an efficient and elegant way to determine the distribution of the atmospheric electron density enhancements. [1] Dubinova, A., Rutjes, C., Ebert, E., Buitink, S., Scholten, O., and Trinh, G. T. N. "Prediction of Lightning Inception by Large Ice Particles and Extensive Air Showers." PRL 115 015002 (2015)[2] G.J.A. Loeven, J.A.S. Witteveen, H. Bijl, Probabilistic collocation: an efficient nonintrusive approach for arbitrarily distributed parametric uncertainties, 45th AIAA Aerospace Sciences Meeting, Reno, Nevada, 2007, AIAA-2007-317[3] Heck, Dieter, et al. CORSIKA: A Monte Carlo code to simulate extensive air showers. No. FZKA-6019. 1998.

  6. Local ionospheric electron density reconstruction from simultaneous ground-based GNSS and ionosonde measurements

    NASA Astrophysics Data System (ADS)

    Stankov, S. M.; Warnant, R.; Stegen, K.

    2009-04-01

    entire altitude range is a straightforward process. As a by-product of the described procedure, the value of the ionospheric slab thickness can be easily computed. To be able to provide forecast, additional information about the current solar and geomagnetic activity is needed. For the purpose, observations available in real time -- at the Royal Institute of Meteorology (RMI), the Royal Observatory of Belgium (ROB), and the US National Oceanic and Atmospheric Administration (NOAA) -- are used. Recently, a new hybrid model for estimating and predicting the local magnetic index K has been developed. This hybrid model has the advantage of using both, ground-based (geomagnetic field components) and space-based (solar wind parameters) measurements, which results in more reliable estimates of the level of geomagnetic activity - current and future. The described reconstruction procedure has been tested on actual measurements at the RMI Dourbes Geophysics Centre (coordinates: 50.1N, 4.6E) where a GPS receiver is collocated with a digital ionosonde (code: DB049, type: Lowell DGS 256). Currently, the nominal time resolution between two consecutive reconstructions is set to 15 minutes with a forecast horizon for each reconstruction of up to 60 minutes. Several applications are envisaged. For example, the ionospheric propagation delays can be estimated and corrected much easier if the electron density profile is available at a nearby location on a real-time basis. Also, both the input data and the reconstruction results can be used for validation purposes in ionospheric models, maps, and services. Recent studies suggest that such ionospheric monitoring systems can help research/services related to aircraft navigation, e.g. for development of the ‘ionospheric threat' methodology.

  7. Measurement of a density profile of a hot-electron plasma in RT-1 with three-chord interferometry

    NASA Astrophysics Data System (ADS)

    Saitoh, H.; Yano, Y.; Yoshida, Z.; Nishiura, M.; Morikawa, J.; Kawazura, Y.; Nogami, T.; Yamasaki, M.

    2015-02-01

    The electron density profile of a plasma in a magnetospheric dipole field configuration was measured with a multi-chord interferometry including a relativistic correction. In order to improve the accuracy of density reconstruction, a 75 GHz interferometer was installed at a vertical chord of the Ring Trap 1 (RT-1) device in addition to previously installed ones at tangential and another vertical chords. The density profile was calculated by using the data of three-chord interferometry including relativistic effects for a plasma consisting of hot and cold electrons generated by electron cyclotron resonance heating (ECH). The results clearly showed the effects of density peaking and magnetic mirror trapping in a strongly inhomogeneous dipole magnetic field.

  8. Measurement of a density profile of a hot-electron plasma in RT-1 with three-chord interferometry

    SciTech Connect

    Saitoh, H.; Yano, Y.; Yoshida, Z.; Nishiura, M.; Morikawa, J.; Kawazura, Y.; Nogami, T.; Yamasaki, M.

    2015-02-15

    The electron density profile of a plasma in a magnetospheric dipole field configuration was measured with a multi-chord interferometry including a relativistic correction. In order to improve the accuracy of density reconstruction, a 75 GHz interferometer was installed at a vertical chord of the Ring Trap 1 (RT-1) device in addition to previously installed ones at tangential and another vertical chords. The density profile was calculated by using the data of three-chord interferometry including relativistic effects for a plasma consisting of hot and cold electrons generated by electron cyclotron resonance heating (ECH). The results clearly showed the effects of density peaking and magnetic mirror trapping in a strongly inhomogeneous dipole magnetic field.

  9. Weak-beam scanning transmission electron microscopy for quantitative dislocation density measurement in steels.

    PubMed

    Yoshida, Kenta; Shimodaira, Masaki; Toyama, Takeshi; Shimizu, Yasuo; Inoue, Koji; Yoshiie, Toshimasa; Milan, Konstantinovic J; Gerard, Robert; Nagai, Yasuyoshi

    2017-04-01

    To evaluate dislocations induced by neutron irradiation, we developed a weak-beam scanning transmission electron microscopy (WB-STEM) system by installing a novel beam selector, an annular detector, a high-speed CCD camera and an imaging filter in the camera chamber of a spherical aberration-corrected transmission electron microscope. The capabilities of the WB-STEM with respect to wide-view imaging, real-time diffraction monitoring and multi-contrast imaging are demonstrated using typical reactor pressure vessel steel that had been used in an European nuclear reactor for 30 years as a surveillance test piece with a fluence of 1.09 × 1020 neutrons cm-2. The quantitatively measured size distribution (average loop size = 3.6 ± 2.1 nm), number density of the dislocation loops (3.6 × 1022 m-3) and dislocation density (7.8 × 1013 m m-3) were carefully compared with the values obtained via conventional weak-beam transmission electron microscopy studies. In addition, cluster analysis using atom probe tomography (APT) further demonstrated the potential of the WB-STEM for correlative electron tomography/APT experiments. © The Author 2017. Published by Oxford University Press on behalf of The Japanese Society of Microscopy. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

  10. Talbot-Lau X-ray Deflectometer electron density diagnostic for laser and pulsed power high energy density plasma experiments

    DOE PAGES

    Valdivia, M. P.; Stutman, D.; Stoeckl, C.; ...

    2016-04-21

    Talbot-Lau X-ray Deflectometry has been developed as an electron density diagnostic for High Energy Density plasmas. The technique can deliver x-ray refraction, attenuation, elemental composition, and scatter information from a single Moiré image. An 8 keV Talbot-Lau interferometer was deployed using laser and x-pinch backlighters. Grating survival and electron density mapping was demonstrated for 25-29 J, 8-30 ps laser pulses using copper foil targets. Moire pattern formation and grating survival was also observed using a copper x-pinch driven at 400 kA, ~1 kA/ns. Lastly, these results demonstrate the potential of TXD as an electron density diagnostic for HED plasmas.

  11. Talbot-Lau X-ray Deflectometer electron density diagnostic for laser and pulsed power high energy density plasma experiments

    SciTech Connect

    Valdivia, M. P.; Stutman, D.; Stoeckl, C.; Mileham, C.; Begishev, I.; Theobald, W.; Bromage, J.; Regan, S. P.; Klein, S. R.; Munoz-Cordoves, G.; Vescovi, M.; Valenzuela-Villaseca, V.; Veloso, F.

    2016-04-21

    Talbot-Lau X-ray Deflectometry has been developed as an electron density diagnostic for High Energy Density plasmas. The technique can deliver x-ray refraction, attenuation, elemental composition, and scatter information from a single Moiré image. An 8 keV Talbot-Lau interferometer was deployed using laser and x-pinch backlighters. Grating survival and electron density mapping was demonstrated for 25-29 J, 8-30 ps laser pulses using copper foil targets. Moire pattern formation and grating survival was also observed using a copper x-pinch driven at 400 kA, ~1 kA/ns. Lastly, these results demonstrate the potential of TXD as an electron density diagnostic for HED plasmas.

  12. On the electron density localization in elemental cubic ceramic and FCC transition metals by means of a localized electrons detector

    NASA Astrophysics Data System (ADS)

    Aray, Yosslen; Paredes, Ricardo; Álvarez, Luis Javier; Martiz, Alejandro

    2017-06-01

    The electron density localization in insulator and semiconductor elemental cubic materials with diamond structure, carbon, silicon, germanium, and tin, and good metallic conductors with face centered cubic structure such as α-Co, Ni, Cu, Rh, Pd, Ag, Ir, Pt, and Au, was studied using a localized electrons detector defined in the local moment representation. Our results clearly show an opposite pattern of the electron density localization for the cubic ceramic and transition metal materials. It was found that, for the elemental ceramic materials, the zone of low electron localization is very small and is mainly localized on the atomic basin edges. On the contrary, for the transition metals, there are low-valued localized electrons detector isocontours defining a zone of highly delocalized electrons that extends throughout the material. We have found that the best conductors are those in which the electron density at this low-value zone is the lowest.

  13. Effects of Electron Flow Current Density on Flow Impedance of Magnetically Insulated Transmission Lines

    NASA Astrophysics Data System (ADS)

    He, Yong; Zou, Wen-Kang; Song, Sheng-Yi

    2011-08-01

    In modern pulsed power systems, magnetically insulated transmission lines (MITLs) are used to couple power between the driver and the load. The circuit parameters of MITLs are well understood by employing the concept of flow impedance derived from Maxwell's equations and pressure balance across the flow. However, the electron density in an MITL is always taken as constant in the application of flow impedance. Thus effects of electron flow current density (product of electron density and drift velocity) in an MITL are neglected. We calculate the flow impedances of an MITL and compare them under three classical MITL theories, in which the electron density profile and electron flow current density are different from each other. It is found that the assumption of constant electron density profile in the calculation of the flow impedance is not always valid. The electron density profile and the electron flow current density have significant effects on flow impedance of the MITL. The details of the electron flow current density and its effects on the operation impedance of the MITL should be addressed more explicitly by experiments and theories in the future.

  14. The discharge condition to enhance electron density of capacitively coupled plasma with multi-holed electrode

    SciTech Connect

    Lee, Hun Su; Lee, Yun Seong; Chang, Hong Young

    2012-09-15

    The multi-holed electrode that has been reported to enhance the electron density of the capacitively coupled plasma is now being adopted to speed up the processes. However, the discharge condition when the multi-holed electrode enhances the electron density of the discharge at fixed power is not studied. At low pressure, the multi-holed electrode increased the electron density of the plasma at fixed power. However, the multi-holed electrode is experimentally revealed to lower the electron density at high pressure. In this paper, the different roles of the multi-holed electrode are experimentally studied.

  15. Transportation of high-current ion and electron beams in the accelerator drift gap in the presence of an additional electron background

    NASA Astrophysics Data System (ADS)

    Karas', V. I.; Kornilov, E. A.; Manuilenko, O. V.; Tarakanov, V. P.; Fedorovskaya, O. V.

    2015-12-01

    The dynamics of a high-current ion beam propagating in the drift gap of a linear induction accelerator with collective focusing is studied using 3D numerical simulations in the framework of the full system of the Vlasov-Maxwell equations (code KARAT). The ion beam is neutralized by a comoving electron beam in the current density and, partially, in space charge, since the velocities of electrons and ions differ substantially. The dynamics of the high-current ion beam is investigated for different versions of additional neutralization of its space charge. It is established that, for a given configuration of the magnetic field and in the presence of a specially programmed injection of additional electrons from the boundary opposite to the ion injection boundary, the angular divergence of the ion beam almost vanishes, whereas the current of the ion beam at the exit from the accelerator drift gap changes insignificantly and the beam remains almost monoenergetic.

  16. Transportation of high-current ion and electron beams in the accelerator drift gap in the presence of an additional electron background

    SciTech Connect

    Karas’, V. I. Kornilov, E. A.; Manuilenko, O. V.; Tarakanov, V. P.; Fedorovskaya, O. V.

    2015-12-15

    The dynamics of a high-current ion beam propagating in the drift gap of a linear induction accelerator with collective focusing is studied using 3D numerical simulations in the framework of the full system of the Vlasov–Maxwell equations (code KARAT). The ion beam is neutralized by a comoving electron beam in the current density and, partially, in space charge, since the velocities of electrons and ions differ substantially. The dynamics of the high-current ion beam is investigated for different versions of additional neutralization of its space charge. It is established that, for a given configuration of the magnetic field and in the presence of a specially programmed injection of additional electrons from the boundary opposite to the ion injection boundary, the angular divergence of the ion beam almost vanishes, whereas the current of the ion beam at the exit from the accelerator drift gap changes insignificantly and the beam remains almost monoenergetic.

  17. Unfolding ambient electron plasma density from wave spectra induced by electron beam

    NASA Astrophysics Data System (ADS)

    Kiraga, A.; Klos, Z.; Oraevsky, V.; Dokukin, V.; Pulinets, S.

    Numerous rocket and few satellite projects were devoted to study of astrophysical plasma with the aid of active electron beam experiments. The quality and volume of wave data from such experiments did not fulfill original expectat ions due to complexity of involved processes, technical malfunctions and limited diagnostics. Due to fortunate, temporal malfunction of plasma accelerator, there were several cases when pulsed electron beam had been injected from the APEX satellite into otherwise unmodified ionospheric plasma. Instantaneous current intensity didn't exceeded 0.15A and an unstabilized acceleration voltage was of the order of 10keV. Injection pitch angle slowly changed according to moderate three-axis satellite stabilization. Injections took place in the altitude range 400-1100km in the European region and in the north, polar region. A receiver with bandwidth of 15kHz was connected to a cylindrical dipole antenna having half lengths of 7.5m. The receiver operated in survey mode providing one spectrum every 2s or 8s. The single spectrum was measured in 1s with an equally spaced mesh of 200 frequencies starting from 100kHz with a step of 50kHz. Electron beam induced spectra show up large variety of narrow band structures. In many cases, from reproducibility or slow evolution of the spectra, it may be inferred that distinct interactions prevail for some ranges of ambient electron gyro (fc) and plasma (fn) frequencies, injection pitch angles and beam intensity. Interaction plausibility arguments are useful in preliminary assignment of spectral structures. We show that discrete emission can be identified at least on ambient plasma frequency or ambient upper hybrid frequency. One class of arguments supporting such identification is provided by interrelation between spectral signatures of local plasma density in passive mode and beam induced spectra. Another class of arguments is provided by interrelations between spectral structures induced by electron beam

  18. Electron densities in the ionosphere of Mars: A comparison of MARSIS and radio occultation measurements

    NASA Astrophysics Data System (ADS)

    Vogt, Marissa F.; Withers, Paul; Fallows, Kathryn; Flynn, Casey L.; Andrews, David J.; Duru, Firdevs; Morgan, David D.

    2016-10-01

    Radio occultation electron densities measurements from the Mariner 9 and Viking spacecraft, which orbited Mars in the 1970s, have recently become available in a digital format. These data are highly complementary to the radio occultation electron density profiles from Mars Global Surveyor, which were restricted in solar zenith angle and altitude. We have compiled data from the Mariner 9, Viking, and Mars Global Surveyor radio occultation experiments for comparison to electron density measurements made by Mars Advanced Radar for Subsurface and Ionosphere Sounding (MARSIS), the topside radar sounder on Mars Express, and MARSIS-based empirical density models. We find that the electron densities measured by radio occultation are in generally good agreement with the MARSIS data and model, especially near the altitude of the peak electron density but that the MARSIS data and model display a larger plasma scale height than the radio occultation profiles at altitudes between the peak density and 200 km. Consequently, the MARSIS-measured and model electron densities are consistently larger than radio occultation densities at altitudes 200-300 km. Finally, we have analyzed transitions in the topside ionosphere, at the boundary between the photochemically controlled and transport-controlled regions, and identified the average transition altitude, or altitude at which a change in scale height occurs. The average transition altitude is 200 km in the Mariner 9 and Viking radio occultation profiles and in profiles of the median MARSIS radar sounding electron densities.

  19. The electron and the ion density characteristic near the F ring by Cassini/RPWS/LP

    NASA Astrophysics Data System (ADS)

    Morooka, Michiko; Wahlund, Jan-Erik; Andrews, David; Ye, Sheng-Yi; Kurth, William

    2017-04-01

    Cassini observations revealed that there are a large amount of nm and μm sized dust grains and their electrical interaction with the surrounding plasma near the moon Enceladus and the E ring. In this region, the small grains are negatively charged by attaching the electrons, resulting the unbalance in the ion and the electron densities (the ion density higher than the electron density). Similar type observations are expected near the faint F and G ring that are composed of small grains. During the grand finale, from December 2016, Cassini has been orbiting Saturn with closest approach just outside the F ring. We will show the electron and ion densities of those orbits obtained by the Langmuir probe onboard Cassini (RPWS/LP). Preliminary results showed: 1) both the electron and the ion density enhancement occurred near the equator (Z = ±0.5RS). 2) The electron densities at the equator are about the order of 1 cm-3 (varies from 2 to 8), while the ion densities are an order of magnitude larger than the electrons up to 300 cm-3. 3) The electron density depletion has been observed centered at the equator around ±0.05 RS in Z. Coincide this region, the LP sweep current noise due to the dust grain's hitting the probe were observed. On the other hand, the peak of the electron density seems to be located slightly northward above the equator at ˜0.05 RS. 4) One of the events showed a local electron density enhancement near the L-shell at L = 3. The obtained characteristics are similar to what have been found in the E ring near the Enceladus orbit. In the E ring, the electron density enhancement region was centered at the equator in Z ±˜0.5RS, the electron bite out occurred at Z = ±0.045RS, and the electron density peaks were somewhat higher in the northern hemisphere. A possible explanation for the location differences in the charged dust density peak and the plasma density peak can be due to that the magnetic equator is located slightly north (+0.04RS) of the equator

  20. A statistical study of magnetospheric electron density using the Cluster spacecraft

    NASA Astrophysics Data System (ADS)

    Sandhu, J. K.; Yeoman, T. K.; Fear, R. C.; Dandouras, I.

    2016-11-01

    Observations from the WHISPER (Waves of High frequency and Sounder for Probing of Electron density by Relaxation) instrument on board Cluster, for the interval spanning 2001-2012, are utilized to determine an empirical model describing the total electron density along closed geomagnetic field lines. The model, representing field lines in the region of 4.5≤L < 9.5, includes dependences on L and magnetic local time. Data verification tests ensured that the WHISPER data set provided unbiased measurements for low-density regions, including comparisons with Plasma Electron and Current Experiment and Electric Field and Waves observations. The model was determined by modeling variations in the electron density along the field lines, which is observed to follow a power law distribution along the geomagnetic field at high latitudes, with power law index values ranging from approximately 0.0 to 1.2. However, a localized peak in electron density close to the magnetic equator is observed, which is described using a Gaussian peak function, with the electron density peak ranging as high as 10 cm-3 above the background power law dependence. The resulting model illustrates some key features of the electron density spatial distribution. The role of the number density distribution, represented by the empirical electron density model, in determining the total plasma mass density is also explored. By combining the empirical electron density model with an empirical average ion mass model, the total plasma mass density distribution is inferred, which includes contributions of both the number density and ion composition of the plasma in the region.

  1. Density functional theory for d- and f-electron materials and compounds

    SciTech Connect

    Mattson, Ann E.; Wills, John M.

    2016-02-12

    Here, the fundamental requirements for a computationally tractable Density Functional Theory-based method for relativistic f- and (nonrelativistic) d-electron materials and compounds are presented. The need for basing the Kohn–Sham equations on the Dirac equation is discussed. The full Dirac scheme needs exchange-correlation functionals in terms of four-currents, but ordinary functionals, using charge density and spin-magnetization, can be used in an approximate Dirac treatment. The construction of a functional that includes the additional confinement physics needed for these materials is illustrated using the subsystem-functional scheme. If future studies show that a full Dirac, four-current based, exchange-correlation functional is needed, the subsystem functional scheme is one of the few schemes that can still be used for constructing functional approximations.

  2. Density functional theory for d- and f-electron materials and compounds

    DOE PAGES

    Mattson, Ann E.; Wills, John M.

    2016-02-12

    Here, the fundamental requirements for a computationally tractable Density Functional Theory-based method for relativistic f- and (nonrelativistic) d-electron materials and compounds are presented. The need for basing the Kohn–Sham equations on the Dirac equation is discussed. The full Dirac scheme needs exchange-correlation functionals in terms of four-currents, but ordinary functionals, using charge density and spin-magnetization, can be used in an approximate Dirac treatment. The construction of a functional that includes the additional confinement physics needed for these materials is illustrated using the subsystem-functional scheme. If future studies show that a full Dirac, four-current based, exchange-correlation functional is needed, the subsystemmore » functional scheme is one of the few schemes that can still be used for constructing functional approximations.« less

  3. 3D Distribution of the Coronal Electron Density and its Evolution with Solar Cycle

    NASA Astrophysics Data System (ADS)

    Wang, Tongjiang; Reginald, Nelson Leslie; Davila, Joseph M.; St. Cyr, Orville Chris

    2016-05-01

    The variability of the solar white-light corona and its connection to the solar activity has been studied for more than a half century. It is widely accepted that the temporal variation of the total radiance of the K-corona follows the solar cycle pattern (e.g., correlated with sunspot number). However, the origin of this variation and its relationships with regard to coronal mass ejections and the solar wind are yet to be clearly understood. We know that the COR1-A and -B instruments onboard the STEREO spacecraft have continued to perform high-cadence (5 min) polarized brightness measurements from two different vantage points over a long period of time that encompasses the solar minimum of Solar Cycle 23 to the solar maximum of Solar Cycle 24. This extended period of polarized brightness measurements can now be used to reconstruct 3D electron density distributions of the corona between the heliocentric heights of 1.5-4.0 solar radii. In this study we have constructed the 3D coronal density models for 100 Carrington rotations (CRs) from 2007 to 2014 using the spherically symmetric inversion (SSI) method. The validity of these 3D density models is verified by comparing with similar 3D density models created by other means such as tomography, MHD modeling, and 2D density distributions inverted from the polarized brightness images from LASCO/C2 instrument onboard the SOHO spacecraft. When examining the causes for the temporal variation of the global electron content we find that its increase from the solar minimum to maximum depends on changes to both the total area and mean density of coronal streamers. We also find that the global and hemispheric electron contents show quasi-periodic variations with a period of 8-9 CRs during the ascending and maximum phases of Solar Cycle 24 through wavelet analysis. In addition, we also explore any obvious relationships between temporal variation of the global electron content with the photospheric magnetic flux, total mass of

  4. Geometrically necessary dislocation densities in olivine obtained using high-angular resolution electron backscatter diffraction.

    PubMed

    Wallis, David; Hansen, Lars N; Ben Britton, T; Wilkinson, Angus J

    2016-09-01

    Dislocations in geological minerals are fundamental to the creep processes that control large-scale geodynamic phenomena. However, techniques to quantify their densities, distributions, and types over critical subgrain to polycrystal length scales are limited. The recent advent of high-angular resolution electron backscatter diffraction (HR-EBSD), based on diffraction pattern cross-correlation, offers a powerful new approach that has been utilised to analyse dislocation densities in the materials sciences. In particular, HR-EBSD yields significantly better angular resolution (<0.01°) than conventional EBSD (~0.5°), allowing very low dislocation densities to be analysed. We develop the application of HR-EBSD to olivine, the dominant mineral in Earth's upper mantle by testing (1) different inversion methods for estimating geometrically necessary dislocation (GND) densities, (2) the sensitivity of the method under a range of data acquisition settings, and (3) the ability of the technique to resolve a variety of olivine dislocation structures. The relatively low crystal symmetry (orthorhombic) and few slip systems in olivine result in well constrained GND density estimates. The GND density noise floor is inversely proportional to map step size, such that datasets can be optimised for analysing either short wavelength, high density structures (e.g. subgrain boundaries) or long wavelength, low amplitude orientation gradients. Comparison to conventional images of decorated dislocations demonstrates that HR-EBSD can characterise the dislocation distribution and reveal additional structure not captured by the decoration technique. HR-EBSD therefore provides a highly effective method for analysing dislocations in olivine and determining their role in accommodating macroscopic deformation. Copyright © 2016 The Authors. Published by Elsevier B.V. All rights reserved.

  5. Density functional perturbational orbital theory of spin polarization in electronic systems. II. Transition metal dimer complexes.

    PubMed

    Seo, Dong-Kyun

    2007-11-14

    We present a theoretical scheme for a semiquantitative analysis of electronic structures of magnetic transition metal dimer complexes within spin density functional theory (DFT). Based on the spin polarization perturbational orbital theory [D.-K. Seo, J. Chem. Phys. 125, 154105 (2006)], explicit spin-dependent expressions of the spin orbital energies and coefficients are derived, which allows to understand how spin orbitals form and change their energies and shapes when two magnetic sites are coupled either ferromagnetically or antiferromagnetically. Upon employment of the concept of magnetic orbitals in the active-electron approximation, a general mathematical formula is obtained for the magnetic coupling constant J from the analytical expression for the electronic energy difference between low-spin broken-symmetry and high-spin states. The origin of the potential exchange and kinetic exchange terms based on the one-electron picture is also elucidated. In addition, we provide a general account of the DFT analysis of the magnetic exchange interactions in compounds for which the active-electron approximation is not appropriate.

  6. Measurements of electron density profiles using an angular filter refractometer

    SciTech Connect

    Haberberger, D. Ivancic, S.; Hu, S. X.; Boni, R.; Barczys, M.; Craxton, R. S.; Froula, D. H.

    2014-05-15

    A novel diagnostic technique, angular filter refractometry (AFR), has been developed to characterize high-density, long-scale-length plasmas relevant to high-energy-density physics experiments. AFR measures plasma densities up to 10{sup 21} cm{sup −3} with a 263-nm probe laser and is used to study the plasma expansion from CH foil and spherical targets that are irradiated with ∼9 kJ of ultraviolet (351-nm) laser energy in a 2-ns pulse. The data elucidate the temporal evolution of the plasma profile for the CH planar targets and the dependence of the plasma profile on target radius for CH spheres.

  7. Density functional theory study of the electronic structure of fluorite Cu2Se

    NASA Astrophysics Data System (ADS)

    Råsander, Mikael; Bergqvist, Lars; Delin, Anna

    2013-03-01

    We have investigated the electronic structure of fluorite Cu2Se using density functional theory calculations within the LDA, PBE and AM05 approximations as well as the non-local hybrid PBE0 and HSE approximations. We find that Cu2Se is a zero gap semiconductor when using either a local or semi-local density functional approximation while the PBE0 functional opens up a gap. For the HSE approximation, we find that the presence of a gap depends on the range separation for the non-local exchange. For the occupied part in the density of states we find that LDA, PBE, AM05, PBE0 and HSE agree with regard to the overall electronic structure. However, the hybrid functionals result in peaks shifted towards lower energy compared to LDA, PBE and AM05. The valence bands obtained using the hybrid functionals are in good agreement with experimental valence band spectra. We also find that the PBE, PBE0 and HSE approximations give similar results regarding bulk properties, such as lattice constants and bulk modulus. In addition, we have investigated the localization of the Cu d-states and its effect on the band gap in the material using the LDA + U approach. We find that a sufficiently high U indeed opens up a gap; however, this U leads to valence bands that disagree with experimental observations.

  8. Geometries, stabilities and electronic properties of copper and selenium doped copper clusters: Density functional theory study

    NASA Astrophysics Data System (ADS)

    Li, Cheng-Gang; Zhang, Jie; Yuan, Yu-Quan; Tang, Ya-Nan; Ren, Bao-Zeng; Chen, Wei-Guang

    2017-02-01

    The structures properties of Cun+1 and CunSe clusters have been investigated using an unbiased CALYPSO structure searching method. Firstly, an unbiased search relying on several structurally different initial clusters have been undertaken. Subsequently, geometry optimization by means of density functional theory is carried out to determine the relative stability of various candidates for low lying clusters obtained from the unconstrained search. The results shown that the ground state Cu9 cluster is found to prefer a unique and previously unrecognized structure, with the total energies much lower than all structures proposed in the literature so far. The Cu2Se cluster is the most stable geometries for CunSe clusters. Additionally, the calculated HOMO-LUMO gaps ranges from 1.27 to 2.85 eV, which make CunSe clusters suitable candidates in photocatalyst materials. Lastly, the molecular orbital energy and density of states; the adaptive natural density partitioning; the electron localization function, localized orbital locator and Mayer Bond order are also studied for the ground state to develop a deeper understanding on the electronic properties.

  9. Density functional theory study of the electronic structure of fluorite Cu2Se.

    PubMed

    Råsander, Mikael; Bergqvist, Lars; Delin, Anna

    2013-03-27

    We have investigated the electronic structure of fluorite Cu2Se using density functional theory calculations within the LDA, PBE and AM05 approximations as well as the non-local hybrid PBE0 and HSE approximations. We find that Cu2Se is a zero gap semiconductor when using either a local or semi-local density functional approximation while the PBE0 functional opens up a gap. For the HSE approximation, we find that the presence of a gap depends on the range separation for the non-local exchange. For the occupied part in the density of states we find that LDA, PBE, AM05, PBE0 and HSE agree with regard to the overall electronic structure. However, the hybrid functionals result in peaks shifted towards lower energy compared to LDA, PBE and AM05. The valence bands obtained using the hybrid functionals are in good agreement with experimental valence band spectra. We also find that the PBE, PBE0 and HSE approximations give similar results regarding bulk properties, such as lattice constants and bulk modulus. In addition, we have investigated the localization of the Cu d-states and its effect on the band gap in the material using the LDA + U approach. We find that a sufficiently high U indeed opens up a gap; however, this U leads to valence bands that disagree with experimental observations.

  10. Field-aligned electron density irregularities near 500 km Equator to polar cap topside sounder observations

    SciTech Connect

    Benson, R.F.

    1985-06-01

    In addition to spread F, evidence for field-aligned electron density irregularities is commonly observed on Alouette 2 topside sounder ionograms recorded near perigee (500 km). This evidence is provided by distinctive signal returns from sounder-generated Z mode waves. At low latitudes these waves become guided in wave ducts caused by field-aligned electron density irregularities and give rise to strong long-duration echoes. At high latitudes, extending well into the polar cap, these Z mode waves (and stimulated electrostatic waves at the plasma frequency) produce a series of vertical bars on the ionogram display as the satellite traverses discrete field-aligned density structures. The radio frequency (RF) noise environment to be expected in the 400 to 500 km altitude region from low to high latitudes was examined by analyzing perigee Alouette 2 topside sounder data. All observed noise bands were scaled on nearly 200 topside sounder ionograms recorded near perigee at low, mid, and high latitude telemetry stations. The minimum and maximum frequencies of each noise band were entered into a data base or computer analysis. The signals of primary interest in the perigee study were found to be sounder-generated. 15 references.

  11. Field-aligned electron density irregularities near 500 km Equator to polar cap topside sounder observations

    NASA Astrophysics Data System (ADS)

    Benson, R. F.

    1985-06-01

    In addition to spread F, evidence for field-aligned electron density irregularities is commonly observed on Alouette 2 topside sounder ionograms recorded near perigee (500 km). This evidence is provided by distinctive signal returns from sounder-generated Z mode waves. At low latitudes these waves become guided in wave ducts caused by field-aligned electron density irregularities and give rise to strong long-duration echoes. At high latitudes, extending well into the polar cap, these Z mode waves (and stimulated electrostatic waves at the plasma frequency) produce a series of vertical bars on the ionogram display as the satellite traverses discrete field-aligned density structures. The radio frequency (RF) noise environment to be expected in the 400 to 500 km altitude region from low to high latitudes was examined by analyzing perigee Alouette 2 topside sounder data. All observed noise bands were scaled on nearly 200 topside sounder ionograms recorded near perigee at low, mid, and high latitude telemetry stations. The minimum and maximum frequencies of each noise band were entered into a data base or computer analysis. The signals of primary interest in the perigee study were found to be sounder-generated.

  12. Field-aligned electron density irregularities near 500 km Equator to polar cap topside sounder observations

    NASA Technical Reports Server (NTRS)

    Benson, R. F.

    1985-01-01

    In addition to spread F, evidence for field-aligned electron density irregularities is commonly observed on Alouette 2 topside sounder ionograms recorded near perigee (500 km). This evidence is provided by distinctive signal returns from sounder-generated Z mode waves. At low latitudes these waves become guided in wave ducts caused by field-aligned electron density irregularities and give rise to strong long-duration echoes. At high latitudes, extending well into the polar cap, these Z mode waves (and stimulated electrostatic waves at the plasma frequency) produce a series of vertical bars on the ionogram display as the satellite traverses discrete field-aligned density structures. The radio frequency (RF) noise environment to be expected in the 400 to 500 km altitude region from low to high latitudes was examined by analyzing perigee Alouette 2 topside sounder data. All observed noise bands were scaled on nearly 200 topside sounder ionograms recorded near perigee at low, mid, and high latitude telemetry stations. The minimum and maximum frequencies of each noise band were entered into a data base or computer analysis. The signals of primary interest in the perigee study were found to be sounder-generated.

  13. Guiding and collimating the fast electrons by using a low-density-core target with buried high density layers

    NASA Astrophysics Data System (ADS)

    Lv, Chong; Wan, Feng; Hou, Ya-Juan; Jia, Mo-Ran; Sang, Hai-Bo; Xie, Bai-Song; Liu, Shi-Bing

    2017-02-01

    A low-density-core target with buried high density layers is proposed to improve the transport of fast electrons and involved problems are investigated by using two-dimensional particle-in-cell simulations. It is demonstrated that this target can collimate the fast electrons efficiently and lead to a better beam quality. The enhancement is attributed to the weakening of the two stream instability and the better collimation by the self-generated multilayer megagauss magnetic field as well as the baroclinic magnetic field. Comparing this to that without buried high density layers, the energy flux of fast electrons is increased by a factor of about 1.8 and has a narrower transverse distribution in space. Besides, the dependence of the efficiency on the target parameters is examined, and the optimal target parameters are also obtained. Such a target can be useful to many applications, such as fast ignition in inertial fusion.

  14. High-energy-density electron beam from interaction of two successive laser pulses with subcritical-density plasma

    NASA Astrophysics Data System (ADS)

    Wang, J. W.; Yu, W.; Yu, M. Y.; Xu, H.; Ju, J. J.; Luan, S. X.; Murakami, M.; Zepf, M.; Rykovanov, S.

    2016-02-01

    It is shown by particle-in-cell simulations that a narrow electron beam with high energy and charge density can be generated in a subcritical-density plasma by two consecutive laser pulses. Although the first laser pulse dissipates rapidly, the second pulse can propagate for a long distance in the thin wake channel created by the first pulse and can further accelerate the preaccelerated electrons therein. Given that the second pulse also self-focuses, the resulting electron beam has a narrow waist and high charge and energy densities. Such beams are useful for enhancing the target-back space-charge field in target normal sheath acceleration of ions and bremsstrahlung sources, among others.

  15. Fast tokamak plasma flux and electron density reconstruction technique

    SciTech Connect

    Chiang, K.L.; Hallock, G.A.; Wootton, A.J.; Wang, L.

    1997-01-01

    Density profiles in TEXT-U are obtained using a vertical viewing far-infrared (FIR) interferometer. To obtain the local (inverted) density, we have developed a simple analytic model of the plasma equilibrium configuration which is faster than EFIT (a flux surface reconstruction program) and can be easily computed between discharges. This analytic solution of the Grad{endash}Shafranov equation is valid as long as the pressure p is a function of poloidal flux {psi}, i.e., p=p({psi}). The procedure incorporates both magnetic and FIR density data to solve the Grad{endash}Shafranov equation, and provides a density profile which is self-consistent with the reconstructed equilibrium flux surfaces. Examples are presented. {copyright} {ital 1997 American Institute of Physics.}

  16. Density matrix renormalization group with efficient dynamical electron correlation through range separation

    SciTech Connect

    Hedegård, Erik Donovan Knecht, Stefan; Reiher, Markus; Kielberg, Jesper Skau; Jensen, Hans Jørgen Aagaard

    2015-06-14

    We present a new hybrid multiconfigurational method based on the concept of range-separation that combines the density matrix renormalization group approach with density functional theory. This new method is designed for the simultaneous description of dynamical and static electron-correlation effects in multiconfigurational electronic structure problems.

  17. Synopsis of D- and E-region electron densities during the energy budget campaign

    NASA Technical Reports Server (NTRS)

    Friedrich, M.; Baker, K. D.; Brekke, A.; Dickinson, P. H. G.; Dumbs, A.; Grandal, B.; Thrane, E. V.; Smith, L. G.; Torkar, K. M.

    1982-01-01

    Electron density profiles from ground-based and rocket-borne measurements conducted at three sites in northern Scandinavia under various degrees of geophysical disturbances are presented. These data are checked against an instantaneous picture of the ionospheric absorption obtained via the dense riometer network. A map of the riometer absorption and measured electron densities over Scandinavia is given.

  18. Characteristic temperatures and electron number densities in an R.F. capacitively coupled plasma.

    PubMed

    Anghel, S D; Frentiu, T; Darvasi, E; Rusu, A M; Simon, A; Cordos, E A

    1996-06-01

    The excitation temperatures of Ar and Fe, the ionization temperatures of Ar and Ca and the electron number densities have been determined for a radiofrequency capacitively coupled plasma in the tip-ring electrode geometry. The temperatures and the electron number densities possess their maximum value close to the electrodes.

  19. Additive effects of electronic and nuclear energy loss in irradiation-induced amorphization of zircon

    DOE PAGES

    Zarkadoula, Eva; Toulemonde, Marcel; Weber, William J.

    2015-12-29

    We used a combination of ion cascades and the unified thermal spike model to study the electronic effects from 800 keV Kr and Xe ion irradiation in zircon. We compared the damage production for four cases: (a) due to ion cascades alone, (b) due to ion cascades with the electronic energy loss activated as a friction term, (c) due to the thermal spike from the combined electronic and nuclear energy losses, and (d) due to ion cascades with electronic stopping and the electron-phonon interactions superimposed. As a result, we found that taking the electronic energy loss out as a frictionmore » term results in reduced damage, while the electronic electron-phonon interactions have additive impact on the final damage created per ion.« less

  20. Additive effects of electronic and nuclear energy loss in irradiation-induced amorphization of zircon

    SciTech Connect

    Zarkadoula, Eva; Toulemonde, Marcel; Weber, William J.

    2015-12-29

    We used a combination of ion cascades and the unified thermal spike model to study the electronic effects from 800 keV Kr and Xe ion irradiation in zircon. We compared the damage production for four cases: (a) due to ion cascades alone, (b) due to ion cascades with the electronic energy loss activated as a friction term, (c) due to the thermal spike from the combined electronic and nuclear energy losses, and (d) due to ion cascades with electronic stopping and the electron-phonon interactions superimposed. As a result, we found that taking the electronic energy loss out as a friction term results in reduced damage, while the electronic electron-phonon interactions have additive impact on the final damage created per ion.

  1. Additive effects of electronic and nuclear energy losses in irradiation-induced amorphization of zircon

    SciTech Connect

    Zarkadoula, Eva; Toulemonde, Marcel; Weber, William J.

    2015-12-28

    We used a combination of ion cascades and the unified thermal spike model to study the electronic effects from 800 keV Kr and Xe ion irradiation in zircon. We compared the damage production for four cases: (a) due to ion cascades alone, (b) due to ion cascades with the electronic energy loss activated as a friction term, (c) due to the thermal spike from the combined electronic and nuclear energy losses, and (d) due to ion cascades with electronic stopping and the electron-phonon interactions superimposed. We found that taking the electronic energy loss out as a friction term results in reduced damage, while the electronic electron-phonon interactions have additive impact on the final damage created per ion.

  2. Formation and nonlinear dynamics of the squeezed state of a helical electron beam with additional deceleration

    SciTech Connect

    Egorov, E. N. Koronovskii, A. A.; Kurkin, S. A.; Hramov, A. E.

    2013-11-15

    Results of numerical simulations and analysis of the formation and nonlinear dynamics of the squeezed state of a helical electron beam in a vircator with a magnetron injection gun as an electron source and with additional electron deceleration are presented. The ranges of control parameters where the squeezed state can form in such a system are revealed, and specific features of the system dynamics are analyzed. It is shown that the formation of a squeezed state of a nonrelativistic helical electron beam in a system with electron deceleration is accompanied by low-frequency longitudinal dynamics of the space charge.

  3. Tuning the electron energy by controlling the density perturbation position in laser plasma accelerators

    SciTech Connect

    Brijesh, P.; Thaury, C.; Phuoc, K. T.; Corde, S.; Lambert, G.; Malka, V.; Mangles, S. P. D.; Bloom, M.; Kneip, S.

    2012-06-15

    A density perturbation in an underdense plasma was used to improve the quality of electron bunches produced in the laser-plasma wakefield acceleration scheme. Quasi-monoenergetic electrons were generated by controlled injection in the longitudinal density gradients of the density perturbation. By tuning the position of the density perturbation along the laser propagation axis, a fine control of the electron energy from a mean value of 60 MeV to 120 MeV has been demonstrated with a relative energy-spread of 15 {+-} 3.6%, divergence of 4 {+-} 0.8 mrad, and charge of 6 {+-} 1.8 pC.

  4. Exploiting the spatial locality of electron correlation within the parametric two-electron reduced-density-matrix method

    NASA Astrophysics Data System (ADS)

    DePrince, A. Eugene; Mazziotti, David A.

    2010-01-01

    The parametric variational two-electron reduced-density-matrix (2-RDM) method is applied to computing electronic correlation energies of medium-to-large molecular systems by exploiting the spatial locality of electron correlation within the framework of the cluster-in-molecule (CIM) approximation [S. Li et al., J. Comput. Chem. 23, 238 (2002); J. Chem. Phys. 125, 074109 (2006)]. The 2-RDMs of individual molecular fragments within a molecule are determined, and selected portions of these 2-RDMs are recombined to yield an accurate approximation to the correlation energy of the entire molecule. In addition to extending CIM to the parametric 2-RDM method, we (i) suggest a more systematic selection of atomic-orbital domains than that presented in previous CIM studies and (ii) generalize the CIM method for open-shell quantum systems. The resulting method is tested with a series of polyacetylene molecules, water clusters, and diazobenzene derivatives in minimal and nonminimal basis sets. Calculations show that the computational cost of the method scales linearly with system size. We also compute hydrogen-abstraction energies for a series of hydroxyurea derivatives. Abstraction of hydrogen from hydroxyurea is thought to be a key step in its treatment of sickle cell anemia; the design of hydroxyurea derivatives that oxidize more rapidly is one approach to devising more effective treatments.

  5. Materials for high-density electronic packaging and interconnection

    NASA Technical Reports Server (NTRS)

    1990-01-01

    Electronic packaging and interconnections are the elements that today limit the ultimate performance of advanced electronic systems. Materials in use today and those becoming available are critically examined to ascertain what actions are needed for U.S. industry to compete favorably in the world market for advanced electronics. Materials and processes are discussed in terms of the final properties achievable and systems design compatibility. Weak points in the domestic industrial capability, including technical, industrial philosophy, and political, are identified. Recommendations are presented for actions that could help U.S. industry regain its former leadership position in advanced semiconductor systems production.

  6. Device and method for electron beam heating of a high density plasma

    DOEpatents

    Thode, Lester E.

    1981-01-01

    A device and method for relativistic electron beam heating of a high density plasma in a small localized region. A relativistic electron beam generator produces a high voltage electron beam which propagates along a vacuum drift tube and is modulated to initiate electron bunching within the beam. The beam is then directed through a low density gas chamber which provides isolation between the vacuum modulator and the relativistic electron beam target. The relativistic beam is then applied to a high density target plasma which typically comprises DT, DD, hydrogen boron or similar thermonuclear gas at a density of 10.sup.17 to 10.sup.20 electrons per cubic centimeter. The target plasma is ionized prior to application of the electron beam by means of a laser or other preionization source. Utilizing a relativistic electron beam with an individual particle energy exceeding 3 MeV, classical scattering by relativistic electrons passing through isolation foils is negligible. As a result, relativistic streaming instabilities are initiated within the high density target plasma causing the relativistic electron beam to efficiently deposit its energy into a small localized region within the high density plasma target.

  7. Predictive Simulation of Process Windows for Powder Bed Fusion Additive Manufacturing: Influence of the Powder Bulk Density.

    PubMed

    Rausch, Alexander M; Küng, Vera E; Pobel, Christoph; Markl, Matthias; Körner, Carolin

    2017-09-22

    The resulting properties of parts fabricated by powder bed fusion additive manufacturing processes are determined by their porosity, local composition, and microstructure. The objective of this work is to examine the influence of the stochastic powder bed on the process window for dense parts by means of numerical simulation. The investigations demonstrate the unique capability of simulating macroscopic domains in the range of millimeters with a mesoscopic approach, which resolves the powder bed and the hydrodynamics of the melt pool. A simulated process window reveals the influence of the stochastic powder layer. The numerical results are verified with an experimental process window for selective electron beam-melted Ti-6Al-4V. Furthermore, the influence of the powder bulk density is investigated numerically. The simulations predict an increase in porosity and surface roughness for samples produced with lower powder bulk densities. Due to its higher probability for unfavorable powder arrangements, the process stability is also decreased. This shrinks the actual parameter range in a process window for producing dense parts.

  8. Measurements of Electron Density Profile and Fluctuations on HSX*

    NASA Astrophysics Data System (ADS)

    Deng, C.; Brower, D. L.; Ding, W. X.; Almagri, A. F.; Anderson, D. T.; Anderson, F. S. B.; Gerhardt, S. P.; Probert, P.; Radder, J.; Talmadge, J. N.

    2001-10-01

    The 288 GHz interferometer system on the quasi-helical stellarator HSX views the plasma cross section along 9 adjacent chords with 1.5 cm spacing. At this frequency refraction is manageable but requires correction when performing inversions. The interferometer has sensitivity n_edl = 8 x 10^11 cm-2 and frequency response up to 1 MHz. Improved time response permits measurement of high-frequency density fluctuations as well as fast changes to the equilibrium profile. First results from HSX with 2nd harmonic ECH at 28 GHz, using a 5 chord version of the interferometer, indicate that the density profile is quite peaked for both quasi-helically symmetric (QHS) plasmas and those where the quasisymmetry is broken (mirror mode) for ne = 1 x 10^12 cm-3. However, for densities ne = 3 x 10^11 cm-3, the profile for the QHS plasma (high stored energy) is narrower when compared to the mirror mode (low stored energy). Density profile variation with plasma configuration and resonant heating location using the 9 channel interferometer will be described. For high density HSX plasmas, ne > 3 x 10^12 cm-3, coherent oscillations are observed in the line-integrated density traces which are out of phase across the magnetic axis. These m=1 oscillations are observed at frequencies of 1-2 kHz and result in a periodic displacement of the density profile. *Supported by USDOE under grant DE-FG03-01ER-54615, Task III and DE-FG02-93ER54222.

  9. Effective mass in bilayer graphene at low carrier densities: The role of potential disorder and electron-electron interaction

    NASA Astrophysics Data System (ADS)

    Li, J.; Tan, L. Z.; Zou, K.; Stabile, A. A.; Seiwell, D. J.; Watanabe, K.; Taniguchi, T.; Louie, Steven G.; Zhu, J.

    2016-10-01

    In a two-dimensional electron gas, the electron-electron interaction generally becomes stronger at lower carrier densities and renormalizes the Fermi-liquid parameters, such as the effective mass of carriers. We combine experiment and theory to study the effective masses of electrons and holes me* and mh* in bilayer graphene in the low carrier density regime on the order of 1 ×1011c m-2 . Measurements use temperature-dependent low-field Shubnikov-de Haas oscillations observed in high-mobility hexagonal boron nitride supported samples. We find that while me* follows a tight-binding description in the whole density range, mh* starts to drop rapidly below the tight-binding description at a carrier density of n =6 ×1011c m-2 and exhibits a strong suppression of 30% when n reaches 2 ×1011c m-2 . Contributions from the electron-electron interaction alone, evaluated using several different approximations, cannot explain the experimental trend. Instead, the effect of the potential fluctuation and the resulting electron-hole puddles play a crucial role. Calculations including both the electron-electron interaction and disorder effects explain the experimental data qualitatively and quantitatively. This Rapid Communication reveals an unusual disorder effect unique to two-dimensional semimetallic systems.

  10. Properties of electron density and other one-electron observables derived from generalized Hiller-Sucher-Feinberg identities

    NASA Astrophysics Data System (ADS)

    Cioslowski, Jerzy; Lopez-Boada, Roberto

    1998-07-01

    A generalization of the Hiller-Sucher-Feinberg (HSF) and Rassolov-Chipman identities for the electron density is presented. A companion expression for the electrostatic potential is derived. Properties of the electron density furnished by the generalized HSF identity are discussed. In particular, the behavior in the vicinity of an arbitrary potential singularity and the long-range asymptotics are analyzed in detail. A simple numerical example is provided to illustrate the new theoretical results.

  11. Selectivity descriptors for the Michael addition reaction as obtained from density functional based approaches.

    PubMed

    Madjarova, G; Tadjer, A; Cholakova, Tz P; Dobrev, A A; Mineva, T

    2005-01-20

    Density functional (DF) based numerical approaches for computing orbital and atomic reactivity indices were employed in the study of selectivity descriptors for the 1,4 Michael addition reaction. To this aim, atomic and orbital Fukui indices and atomic softnesses for 2-arylmethylene-1,4-butanolides and N,N-disubstituted phenylacetamides were computed. Further on, these local selectivity descriptors have been rationalized in terms of the Pearson's hard-soft-acid-base principle to explain the observed regioselectivity. It is shown that the methods employed for local (atomic and orbital) reactivity index computations are useful and reliable for prediction of the regioselectivity upon conjugate addition of ambident nucleophiles to 2,3-unsaturated carboxylic esters. All the results reveal similar degree of localization/hardness of the 1,4-butanolides C4 and active alpha-carbon belonging to the N,N-dimethyl-phenylacetamide, while the soft alpha-carbon in LiCH2CN reacts with the soft C2 1,4-butanolide center.

  12. Ion acceleration enhanced by additional neutralizing electrons in a magnetically expanding double layer plasma

    SciTech Connect

    Takahashi, Kazunori; Fujiwara, Tamiya

    2010-10-15

    Electrons neutralizing an ion beam are additionally supplied to a magnetically expanding double layer (DL) plasma from the downstream side of the DL. The rf power and the argon gas pressure are maintained at 200 W and 55 mPa, respectively, and the source magnetic field is varied in the range of about 70-550 G. It is observed that the ion beam energy corresponding to the DL potential drop increases up to 30 eV with an increase in the magnetic field when supplying the additional electrons, while it saturates at 20 eV for the case of the absence of the additional electrons. The supplied electrons are believed to be an energy source for the DL such that increasing the magnetic field is able to increase the potential drop beyond the limit found in the absence of the supplied electrons.

  13. Absolute measurements of night-time electron density using ISR gyro lines

    NASA Astrophysics Data System (ADS)

    Bhatt, Asti; Kelley, Michael; Nicolls, Michael; Sulzer, Michael

    2012-07-01

    Gyro line in Incoherent Scatter Spectrum is the underused cousin of the more popular Plasma line. This is because it is very weak during the day and stronger during dawn and dusk hours. When the electron density is such that the electron plasma frequency drops below the electron gyro frequency, the gyro line frequency becomes proportional to the electron density. This is during a time when the plasma line is no longer detected, and we have no other means for getting precise measurements for absolute electron density. In this paper, we will present a linear equation for the gyro line frequency and measurements from the Arecibo radar in Puerto Rico, showing comparison with the plasma line data and derived electron density.

  14. MAVEN Observations of Dayside Peak Electron Densities in the Ionosphere of Mars

    NASA Astrophysics Data System (ADS)

    Vogt, M. F.; Withers, P.; Andersson, L.; Mahaffy, P. R.; Benna, M.; Elrod, M. K.; Connerney, J. E. P.; Espley, J. R.; Eparvier, F. G.; Jakosky, B. M.

    2016-12-01

    The peak electron density in the dayside Martian ionosphere is a valuable diagnostic of the state of the ionosphere. Its dependence on factors like the solar zenith angle, ionizing solar irradiance, neutral scale height, and electron temperature has been well studied. The MAVEN spacecraft's September 2015 "deep dip" orbits, in which the orbital periapsis is lowered to 120 km, provided our first opportunity since Viking to sample in situ a complete dayside electron density profiles including the main peak, and the first observations with contemporaneous comprehensive measurements of the local plasma and magnetic field properties. We have analyzed the peak electron density measurements from the MAVEN deep dip orbits and will discuss their variability with various ionospheric properties, including the proximity to regions of large crustal magnetic fields, and external drivers. We will also present observations of the electron temperature and atmospheric neutral and ion composition at the altitude of the peak electron density.

  15. Simulation of electron beam from two strip electron guns and control of power density by rotation of gun

    NASA Astrophysics Data System (ADS)

    Sahu, G. K.; Baruah, S.; Thakur, K. B.

    2012-11-01

    Electron beam is preferably used for large scale evaporation of refractory materials. Material evaporation from a long and narrow source providing a well collimated wedge shaped atomic beam has applications in isotopic purification of metals relevant to nuclear industry. The electron beam from an electron gun with strip type filament provides a linear heating source. However, the high power density of the electron beam can lead to turbulence of the melt pool and undesirable splashing of molten metal. For obtaining quiet surface evaporation, the linear electron beam is generally scanned along its length. To further reduce the power density to maintain quiet evaporation the width of the vapour source can be controlled by rotating the electron gun on its plane, thereby scanning an inclined beam over the molten pool. The rotation of gun has further advantages. When multiple strip type electron guns are used for scaling up evaporation length, a dark zone appears between two beams due to physical separation of adjacent guns. This dark zone can be reduced by rotating the gun and thereby bringing two adjacent beams closer. The paper presented here provides the simulation results of the electron beam trajectory and incident power density originating from two strip electron guns by using in-house developed code. The effect of electron gun rotation on the electron beam trajectory and power density is studied. The simulation result is experimentally verified with the image of molten pool and heat affected zone taken after experiment. This technique can be gainfully utilized in controlling the time averaged power density of the electron beam and obtaining quiet evaporation from the metal molten pool.

  16. Ionospheric electron density irregularities observed by satellite-to-satellite, dual-frequency, low-low Doppler tracking link

    NASA Technical Reports Server (NTRS)

    Estes, R. D.; Grossi, M. D.

    1984-01-01

    A low-low, satellite-to-satellite, dual-frequency, Doppler tracking experiment was performed. The data are analyzed here for irregularities in electron density at the altitude of 212 km. The differential Doppler data with the relative motion term removed are integrated to obtain a representation of the electron density variation along the satellite path. Well-known large-scale features such as the equatorial geomagnetic anomaly and day/night ionization level differences are clearly observed in the integrated data. The larger crest of the morning geomagnetic anomaly is seen to occur in the southern (winter) hemisphere in agreement with previous observations. In addition, a sharp peak in the electron density at the day-to-night transition point is observed in two consecutive revolutions. This effect may be due to the previously postulated atmospheric shock wave generated by supersonic motion of the terminator.

  17. Electron density dynamics in the electronic ground state: motion along the Kekulé mode of benzene.

    PubMed

    Schild, Axel; Choudhary, Deepanshu; Sambre, Vaibhav D; Paulus, Beate

    2012-11-26

    If the Born-Oppenheimer approximation is invoked for the description of chemical reactions, the electron density rearranges following the motion of the nuclei. Even though this approach is central to theoretical chemistry, the explicit time dependence of the electron density is rarely studied, especially if the nuclei are treated quantum mechanically. In this article, we model the motion of benzene along the Kekulé vibrational coordinate to simulate the nuclear dynamics and electron density dynamics in the electronic ground state. Details of the change of core, valence, and π electrons are determined and analyzed. We show how the pictures anticipated by drawing Lewis structures of the rearrangement correlate with the time-dependent quantum description of the process.

  18. Materials for High-Density Electronic Packaging and Interconnection

    DTIC Science & Technology

    1990-04-10

    actions are needed for U.S. industry to compete favorably in the world market for advanced electronics. Materials and processes are discuased in terms...of the "inal properties achievable and systoe design compatibility. Weak points- in the domestic industrial capability. i ncdigtcnal...ascertain what actions are needed for U.S. industry to compete favorably in the world market for advanced electronics. Materials and processes are

  19. Features of the electron density distribution in antimony telluride Sb2Te3

    NASA Astrophysics Data System (ADS)

    Orlov, V. G.; Sergeev, G. S.

    2017-07-01

    Based on the results of electron density functional calculations of the electronic band structure of semiconductors Sb2Te3, Ge, Te, and semimetal Sb, the parameters of critical points in the electron density distribution (maxima, minima, and saddle points) in the lattices of the above materials are found. The data obtained are used to analyze the chemical bond nature in Sb2Te3.

  20. The backscatter electron signal as an additional tool for phase segmentation in electron backscatter diffraction.

    PubMed

    Payton, E J; Nolze, G

    2013-08-01

    The advent of simultaneous energy dispersive X-ray spectroscopy (EDS) data collection has vastly improved the phase separation capabilities for electron backscatter diffraction (EBSD) mapping. A major problem remains, however, in distinguishing between multiple cubic phases in a specimen, especially when the compositions of the phases are similar or their particle sizes are small, because the EDS interaction volume is much larger than that of EBSD and the EDS spectra collected during spatial mapping are generally noisy due to time limitations and the need to minimize sample drift. The backscatter electron (BSE) signal is very sensitive to the local composition due to its atomic number (Z) dependence. BSE imaging is investigated as a complimentary tool to EDS to assist phase segmentation and identification in EBSD through examination of specimens of meteorite, Cu dross, and steel oxidation layers. The results demonstrate that the simultaneous acquisition of EBSD patterns, EDS spectra, and the BSE signal can provide new potential for advancing multiphase material characterization in the scanning electron microscope.

  1. Role of density gradient driven trapped electron mode turbulence in the H-mode inner core with electron heating

    NASA Astrophysics Data System (ADS)

    Ernst, D. R.; Burrell, K. H.; Guttenfelder, W.; Rhodes, T. L.; Dimits, A. M.; Bravenec, R.; Grierson, B. A.; Holland, C.; Lohr, J.; Marinoni, A.; McKee, G. R.; Petty, C. C.; Rost, J. C.; Schmitz, L.; Wang, G.; Zemedkun, S.; Zeng, L.

    2016-05-01

    A series of DIII-D [J. L. Luxon, Nucl. Fusion 42, 614 (2002)] low torque quiescent H-mode experiments show that density gradient driven trapped electron mode (DGTEM) turbulence dominates the inner core of H-mode plasmas during strong electron cyclotron heating (ECH). Adding 3.4 MW ECH doubles Te/Ti from 0.5 to 1.0, which halves the linear DGTEM critical density gradient, locally reducing density peaking, while transport in all channels displays extreme stiffness in the density gradient. This suggests that fusion α-heating may degrade inner core confinement in H-mode plasmas with moderate density peaking and low collisionality, with equal electron and ion temperatures, key conditions expected in burning plasmas. Gyrokinetic simulations using GYRO [J. Candy and R. E. Waltz, J. Comput. Phys. 186, 545 (2003)] (and GENE [Jenko et al., Phys. Plasmas 7, 1904 (2000)]) closely match not only particle, energy, and momentum fluxes but also density fluctuation spectra from Doppler backscattering (DBS), with and without ECH. Inner core DBS density fluctuations display discrete frequencies with adjacent toroidal mode numbers, which we identify as DGTEMs. GS2 [Dorland et al., Phys. Rev. Lett. 85, 5579 (2000)] predictions show the DGTEM can be suppressed, to avoid degradation with electron heating, by broadening the current density profile to attain q0>qmin>1 .

  2. High density electronic circuit and process for making

    DOEpatents

    Morgan, William P.

    1999-01-01

    High density circuits with posts that protrude beyond one surface of a substrate to provide easy mounting of devices such as integrated circuits. The posts also provide stress relief to accommodate differential thermal expansion. The process allows high interconnect density with fewer alignment restrictions and less wasted circuit area than previous processes. The resulting substrates can be test platforms for die testing and for multi-chip module substrate testing. The test platform can contain active components and emulate realistic operational conditions, replacing shorts/opens net testing.

  3. High density electronic circuit and process for making

    DOEpatents

    Morgan, W.P.

    1999-06-29

    High density circuits with posts that protrude beyond one surface of a substrate to provide easy mounting of devices such as integrated circuits are disclosed. The posts also provide stress relief to accommodate differential thermal expansion. The process allows high interconnect density with fewer alignment restrictions and less wasted circuit area than previous processes. The resulting substrates can be test platforms for die testing and for multi-chip module substrate testing. The test platform can contain active components and emulate realistic operational conditions, replacing shorts/opens net testing. 8 figs.

  4. Tailoring the thermal conductivity of the powder bed in Electron Beam Melting (EBM) Additive Manufacturing.

    PubMed

    Smith, C J; Tammas-Williams, S; Hernandez-Nava, E; Todd, I

    2017-09-05

    Metallic powder bed additive manufacturing is capable of producing complex, functional parts by repeatedly depositing thin layers of powder particles atop of each other whilst selectively melting the corresponding part cross-section into each layer. A weakness with this approach arises when melting overhanging features, which have no prior melted material directly beneath them. This is due to the lower thermal conductivity of the powder relative to solid material, which as a result leads to an accumulation of heat and thus distortion. The Electron Beam Melting (EBM) process alleviates this to some extent as the powder must first be sintered (by the beam itself) before it is melted, which results in the added benefit of increasing the thermal conductivity. This study thus sought to investigate to what extent the thermal conductivity of local regions in a titanium Ti-6Al-4V powder bed could be varied by imparting more energy from the beam. Thermal diffusivity and density measurements were taken of the resulting sintered samples, which ranged from being loosely to very well consolidated. It was found that the calculated thermal conductivity at two temperatures, 40 and 730 °C, was more than doubled over the range of input energies explored.

  5. Quantitation of molecular densities by cryo-electron microscopy. Determination of the radial density distribution of tobacco mosaic virus.

    PubMed

    Smith, M F; Langmore, J P

    1992-08-05

    We have determined the absolute mass and radial scattering density distribution of tobacco mosaic virus in the frozen-hydrated state by energy-filtered low-dose bright-field transmission electron microscopy. The absolute magnitude of electron scattering from tobacco mosaic virus in 150 nm of ice was within 3.0% of that predicted, with inelastic scattering accounting for approximately 80% of the scattering contrast. In order to test the accuracy of the radial reconstruction, a computer model of tobacco mosaic virus was built from the atomic co-ordinates assuming uniform solvent density. The validity of the model was confirmed by comparison of X-ray scattering and predictions of the model (R factor = 0.05). First-order corrections for the microscope contrast transfer function were necessary and sufficient for conversion of the cryo-electron microscopy images into accurate representations of the mass density. At 1.9 nm resolution the compensated reconstruction and model had density peaks of similar magnitude at 2.4, 4.2, 6.0 and 7.8 nm radius and a central hole of 2 nm radius. Equatorial Fourier transforms of the corrected electron images were in excellent agreement with predictions of the model (R factor = 0.12). Thus, the uniform solvent approximation was adequate at 1.9 nm resolution to describe quantitatively X-ray scattering in liquid water and electron imaging in vitreous ice. This is the first demonstration that cryo-electron microscopy images can be used to quantitate the absolute mass, mass per unit length and internal density distributions of proteins and nucleic acids.

  6. Electron-electron cusp condition and asymptotic behavior for the Pauli potential in pair density functional theory.

    PubMed

    Nagy, A; Amovilli, C

    2008-03-21

    In the ground state, the pair density n can be determined by solving a single auxiliary equation of a two-particle problem. Electron-electron cusp condition and asymptotic behavior for the Pauli potential of the effective potential of the two-particle equation are presented.

  7. Curly arrows meet electron density transfers in chemical reaction mechanisms: from electron localization function (ELF) analysis to valence-shell electron-pair repulsion (VSEPR) inspired interpretation.

    PubMed

    Andrés, Juan; Berski, Sławomir; Silvi, Bernard

    2016-07-07

    Probing the electron density transfers during a chemical reaction can provide important insights, making possible to understand and control chemical reactions. This aim has required extensions of the relationships between the traditional chemical concepts and the quantum mechanical ones. The present work examines the detailed chemical insights that have been generated through 100 years of work worldwide on G. N. Lewis's ground breaking paper on The Atom and the Molecule (Lewis, G. N. The Atom and the Molecule, J. Am. Chem. Soc. 1916, 38, 762-785), with a focus on how the determination of reaction mechanisms can be reached applying the bonding evolution theory (BET), emphasizing how curly arrows meet electron density transfers in chemical reaction mechanisms and how the Lewis structure can be recovered. BET that combines the topological analysis of the electron localization function (ELF) and Thom's catastrophe theory (CT) provides a powerful tool providing insight into molecular mechanisms of chemical rearrangements. In agreement with physical laws and quantum theoretical insights, BET can be considered as an appropriate tool to tackle chemical reactivity with a wide range of possible applications. Likewise, the present approach retrieves the classical curly arrows used to describe the rearrangements of chemical bonds for a given reaction mechanism, providing detailed physical grounds for this type of representation. The ideas underlying the valence-shell-electron pair-repulsion (VSEPR) model applied to non-equilibrium geometries provide simple chemical explanations of density transfers. For a given geometry around a central atom, the arrangement of the electronic domain may comply or not with the VSEPR rules according with the valence shell population of the considered atom. A deformation yields arrangements which are either VSEPR defective (at least a domain is missing to match the VSEPR arrangement corresponding to the geometry of the ligands), VSEPR compliant

  8. Molecular Electron Density Theory: A Modern View of Reactivity in Organic Chemistry.

    PubMed

    Domingo, Luis R

    2016-09-30

    A new theory for the study of the reactivity in Organic Chemistry, named Molecular Electron Density Theory (MEDT), is proposed herein. MEDT is based on the idea that while the electron density distribution at the ground state is responsible for physical and chemical molecular properties, as proposed by the Density Functional Theory (DFT), the capability for changes in electron density is responsible for molecular reactivity. Within MEDT, the reactivity in Organic Chemistry is studied through a rigorous quantum chemical analysis of the changes of the electron density as well as the energies associated with these changes along the reaction path in order to understand experimental outcomes. Studies performed using MEDT allow establishing a modern rationalisation and to gain insight into molecular mechanisms and reactivity in Organic Chemistry.

  9. High-energy-density electron jet generation from an opening gold cone filled with near-critical-density plasma

    SciTech Connect

    Yu, T. P. Shao, F. Q.; Zou, D. B.; Ge, Z. Y.; Zhang, G. B.; Wang, W. Q.; Li, X. H.; Liu, J. X.; Ouyang, J. M.; Yu, W.; Luan, S. X.; Wang, J. W.; Wong, A. Y.

    2015-01-14

    By using two-dimensional particle-in-cell simulations, we propose a scheme for strong coupling of a petawatt laser with an opening gold cone filled with near-critical-density plasmas. When relevant parameters are properly chosen, most laser energy can be fully deposited inside the cone with only 10% leaving the tip opening. Due to the asymmetric ponderomotive acceleration by the strongly decayed laser pulse, high-energy-density electrons with net laser energy gain are accumulated inside the cone, which then stream out of the tip opening continuously, like a jet. The jet electrons are fully relativistic, with speeds around 0.98−0.998 c and densities at 10{sup 20}/cm{sup 3} level. The jet can keep for a long time over 200 fs, which may have diverse applications in practice.

  10. Modern Possibilities for Calculating Some Properties of Molecules and Crystals from the Experimental Electron Density

    SciTech Connect

    Stash, A.I.; Tsirelson, V.G.

    2005-03-01

    Methods for calculating some properties of molecules and crystals from the electron density reconstructed from a precise X-ray diffraction experiment using the multipole model are considered. These properties include, on the one hand, the characteristics of the electron density and the inner-crystal electrostatic field and, on the other hand, the local electronic energies (kinetic, potential, total), the exchange energy density, the electron-pair localization function, the localized-orbital locator, the effective crystal potential, and others. It is shown that the integration of these characteristics over pseudoatomic volumes bounded by the surfaces of the zero flux of the electron density gradient makes it possible to characterize directly from an experiment the properties of molecules and crystals in terms of the atomic contributions. The computer program WinXPRO2004, realizing these possibilities, is briefly described.

  11. Influence of the electronic plasma density on the wave particle interaction

    NASA Astrophysics Data System (ADS)

    Sicard-Piet, Angelica; Boscher, Daniel

    2013-04-01

    The wave particle interaction, which is well known to be a major phenomenon in the electron radiation belts dynamics, is based on two main parameters: the characteristics of the wave (type of wave, intensity,…) and the characteristics of the ambient plasma. In this work we studied the second parameter. On one side, the electronic plasma density can be derived from in-situ measurements. On the other side, several empirical models exist: GCPM, IZMIRAN or Carpenter models. Here, we compared electronic plasma densities derived from in-situ measurements each other and with existing models. Then, we investigated on the electronic plasma density distribution to distinguish the inside to the outside plasmasphere. Finally, the effect of the electronic plasma density on the diffusion coefficients due to wave particle interaction has been studied via a numerical code, called WAPI, based on quasi linear theory.

  12. Ionospheric electron density retrieval from FORMOSAT-3/COSMIC occultation data for a period of more than half a Solar Cycle

    NASA Astrophysics Data System (ADS)

    Limberger, Marco; Hernandez-Pajarez, Manuel; García Rigo, Alberto; Schmidt, Michael; Hugentobler, Urs

    2014-05-01

    The disposability of information about the atmospheric electron density distribution plays an important role in a variety of application areas such as space weather monitoring and prediction, in ionosphere modeling and in general for numerous aspects in radio science. In this context, the ionospheric region constitutes a key component in the system of Sun-Earth interactions due to its high concentration of charged particles, especially electrons. One prevailing method for the exploration of the Earth's ionosphere is the application of GPS radio occultation measurements onboard Low Earth Orbiter (LEO) satellites to derive electron density values below the LEO orbit where an advanced retrieval method shall be described in this work. Besides, we present a comprehensive analysis and validation of the electron density information retrieved by GPS satellite occultation measurements taken from the FORMOSAT-3/COSMIC constellation. A signal, transmitted by a GPS satellite and tracked on a LEO in occultation geometry, becomes delayed on its way through the atmospheric medium which allows for the determination of the refractivity indices based on the solution of an inverse problem with observations at different elevation angles. A classical Abel inversion algorithm may be applied to solve this inverse problem but goes along with mainly two drawbacks related to (1) the consideration of a spherical symmetry assumption for the electron density implying that electron density and accordingly the refractivity indices only depend on height and (2) the negligence of electron density data above the LEO orbit. Instead, a modified Abel inversion based on an algorithm developed previously at UPC will be considered in this work. It includes the supposition that electron density measurements can be described by the vertical total electron content, e.g. determined from terrestrial GNSS networks, in combination with an additional shape function (separability hypothesis) for the description

  13. Simultaneous measurement of core electron temperature and density fluctuations during electron cyclotron heating on DIII-D

    SciTech Connect

    White, A. E.; Schmitz, L.; Peebles, W. A.; Rhodes, T. L.; Carter, T. A.; McKee, G. R.; Shafer, M. W.; Staebler, G. M.; Burrell, K. H.; DeBoo, J. C.; Prater, R.

    2010-02-15

    New measurements show that long-wavelength (k{sub t}hetarho{sub s}<0.5) electron temperature fluctuations can play an important role in determining electron thermal transport in low-confinement mode (L-mode) tokamak plasmas. In neutral beam-heated L-mode tokamak plasmas, electron thermal transport and the amplitude of long-wavelength electron temperature fluctuations both increase in cases where local electron cyclotron heating (ECH) is used to modify the plasma profiles. In contrast, the amplitude of simultaneously measured long-wavelength density fluctuations does not significantly increase. Linear stability analysis indicates that the ratio of the trapped electron mode (TEM) to ion temperature gradient (ITG) mode growth rates increases in the cases with ECH. The increased importance of the TEM drive relative to the ITG mode drive in the cases with ECH may be associated with the increases in electron thermal transport and electron temperature fluctuations.

  14. Additions and improvements to the high energy density physics capabilities in the FLASH code

    NASA Astrophysics Data System (ADS)

    Lamb, D. Q.; Flocke, N.; Graziani, C.; Tzeferacos, P.; Weide, K.

    2016-10-01

    FLASH is an open source, finite-volume Eulerian, spatially adaptive radiation magnetohydrodynamics code that has the capabilities to treat a broad range of physical processes. FLASH performs well on a wide range of computer architectures, and has a broad user base. Extensive high energy density physics (HEDP) capabilities have been added to FLASH to make it an open toolset for the academic HEDP community. We summarize these capabilities, emphasizing recent additions and improvements. In particular, we showcase the ability of FLASH to simulate the Faraday Rotation Measure produced by the presence of magnetic fields; and proton radiography, proton self-emission, and Thomson scattering diagnostics with and without the presence of magnetic fields. We also describe several collaborations with the academic HEDP community in which FLASH simulations were used to design and interpret HEDP experiments. This work was supported in part at the University of Chicago by the DOE NNSA ASC through the Argonne Institute for Computing in Science under field work proposal 57789; and the NSF under Grant PHY-0903997.

  15. Density functional theory study of the effects of alloying additions on sulfur adsorption on nickel surfaces

    NASA Astrophysics Data System (ADS)

    Malyi, Oleksandr I.; Chen, Zhong; Kulish, Vadym V.; Bai, Kewu; Wu, Ping

    2013-01-01

    Reactions of hydrogen sulfide (H2S) with Nickel/Ytrria-doped zirconia (Ni/YDZ) anode materials might cause degradation of the performance of solid oxide fuel cells when S containing fuels are used. In this paper, we employ density functional theory to investigate S adsorption on metal (M)-doped and undoped Ni(0 0 1) and Ni(1 1 1) surfaces. Based on the performed calculations, we analyze the effects of 12 alloying additions (Ag, Au, Al, Bi, Cd, Co, Cu, Fe, Sn, Sb, V, and Zn) on the temperature of transition between clean (S atoms do not adsorb on the surfaces) and contaminated (S atoms can adsorb on the surfaces spontaneously) M-doped Ni surfaces for different concentrations of H2S in the fuel. Predicted results are consistent with many experimental studies relevant to S poisoning of both Ni/YDZ and M-doped Ni/YDZ anode materials. This study is important to understand S poisoning phenomena and to develop new S tolerant anode materials.

  16. The effects of a multidensity plasma on ultraviolet spectroscopic electron density diagnostics

    NASA Technical Reports Server (NTRS)

    Doschek, G. A.

    1984-01-01

    Spectroscopic electron density diagnostics have been developed for interpretation of UV, EUV, and X-ray emission line spectra of solar and other astrophysical plasmas, and tokamak plasmas. In principle, accurate electron densities can be determined. However, in practice, a number of difficulties arise with respect to the determination of very accurate electron densities in the 1100-3000 A region. The present study has the objective to investigate one of these difficulties, taking into account the effect on line ratios produced by a source composed of several regions of substantially different densities, all at the same temperature. The study is in particular concerned with a source in which small high density knots are embedded in low-density plasma. Attention is given to line ratios involving the O IV multiplet near 1400 A, obtained from the spectrum of a surge observed outside the solar limb.

  17. Statistical Averages of F-Layer Electron Density, Electron Temperature and Ion Temperature Over Millstone Hill

    NASA Astrophysics Data System (ADS)

    Zhang, S.; Holt, J. M.; Goncharenko, L.

    2001-12-01

    All Millstone Hill incoherent scatter radar data collected since 1978 are available through the Madrigal Database at MIT Haystack Observatory. A set of empirical models for basic and derived incoherent scatter parameters, including electron density Ne, electron and ion temperatures Te and Ti, electric field and parallel ion drift is being developed from this extensive dataset. Such models of the average behavior of key ionosphere-thermosphere (IT) parameters, based on long term accumulated data, are important for space weather studies not only in terms of quantitative descriptions of the IT system but also in terms of clarifying several outstanding scientific problems. This paper presents Ne, Te and Ti averages in the ionospheric F-layer from which local empirical models can be generated. We sort every parameter measured locally into bins. The binning parameters are local time (0000-2400 LT), the day of year (season), and altitude (150-1000 km). Each data point belongs to a certain bin and has corresponding solar flux index F107 and geomagnetic index Ap. For each bin, a multiple regression is performed for a function including (1) the constant term, (2) linear effect terms of F107 and (3) Ap, and (4) the F107 and Ap cross effect term, to give a set of fitting coefficients, such that our model of bin averages is keyed to F107 and Ap. The deviations of actual data from the model represent the remaining day-to-day variability. We will present the data distribution of each bin and discuss the main features of our averages and models.

  18. Quantitative electron density characterization of soft tissue substitute plastic materials using grating-based x-ray phase-contrast imaging.

    PubMed

    Sarapata, A; Chabior, M; Cozzini, C; Sperl, J I; Bequé, D; Langner, O; Coman, J; Zanette, I; Ruiz-Yaniz, M; Pfeiffer, F

    2014-10-01

    Many scientific research areas rely on accurate electron density characterization of various materials. For instance in X-ray optics and radiation therapy, there is a need for a fast and reliable technique to quantitatively characterize samples for electron density. We present how a precise measurement of electron density can be performed using an X-ray phase-contrast grating interferometer in a radiographic mode of a homogenous sample in a controlled geometry. A batch of various plastic materials was characterized quantitatively and compared with calculated results. We found that the measured electron densities closely match theoretical values. The technique yields comparable results between a monochromatic and a polychromatic X-ray source. Measured electron densities can be further used to design dedicated X-ray phase contrast phantoms and the additional information on small angle scattering should be taken into account in order to exclude unsuitable materials.

  19. Role of density gradient driven trapped electron mode turbulence in the H-mode inner core with electron heating

    DOE PAGES

    Ernst, D. R.; Burrell, K. H.; Guttenfelder, W.; ...

    2016-05-10

    In a series of DIII-D [J. L. Luxon, Nucl. Fusion 42 614 (2002)] low torque quiescent H-mode experiments show that density gradient driven TEM (DGTEM) turbulence dominates the inner core of H-Mode plasmas during strong electron cyclotron heating (ECH). By adding 3.4 MW ECH doubles Te/Ti from 0.5 to 1.0, which halves the linear DGTEM critical density gradient, locally reducing density peaking, while transport in all channels displays extreme stiffness in the density gradient. This then suggests fusion -heating may degrade inner core confinement in H-Mode plasmas with moderate density peaking and low collisionality, with equal electron and ion temperatures,more » key conditions expected in burning plasmas. Gyrokinetic simulations using GYRO [J. Candy and R. E. Waltz, J. Comp. Phys. 186 545 (2003)] (and GENE [F. Jenko et al., Phys. Plasmas 7, 1904 (2000)]) closely match not only particle, energy, and momentum fluxes, but also density fluctuation spectra from Doppler Backscattering (DBS), with and without ECH. Inner core DBS density fluctuations display discrete frequencies with adjacent toroidal mode numbers, which we identify as DGTEMs. GS2 [W. Dorland et al., Phys. Rev. Lett. 85 5579 (2000)] predictions show the DGTEM can be suppressed, to avoid degradation with electron heating, by broadening the current density profile to attain q0 > qmin > 1.« less

  20. Role of density gradient driven trapped electron mode turbulence in the H-mode inner core with electron heating

    SciTech Connect

    Ernst, D. R.; Burrell, K. H.; Guttenfelder, W.; Rhodes, T. L.; Dimits, A. M.; Bravenec, R.; Grierson, B. A.; Holland, C.; Lohr, J.; Marinoni, A.; McKee, G. R.; Petty, C. C.; Rost, J. C.; Schmitz, L.; Wang, G.; Zemedkun, S.; Zeng, L.

    2016-05-10

    In a series of DIII-D [J. L. Luxon, Nucl. Fusion 42 614 (2002)] low torque quiescent H-mode experiments show that density gradient driven TEM (DGTEM) turbulence dominates the inner core of H-Mode plasmas during strong electron cyclotron heating (ECH). By adding 3.4 MW ECH doubles Te/Ti from 0.5 to 1.0, which halves the linear DGTEM critical density gradient, locally reducing density peaking, while transport in all channels displays extreme stiffness in the density gradient. This then suggests fusion -heating may degrade inner core confinement in H-Mode plasmas with moderate density peaking and low collisionality, with equal electron and ion temperatures, key conditions expected in burning plasmas. Gyrokinetic simulations using GYRO [J. Candy and R. E. Waltz, J. Comp. Phys. 186 545 (2003)] (and GENE [F. Jenko et al., Phys. Plasmas 7, 1904 (2000)]) closely match not only particle, energy, and momentum fluxes, but also density fluctuation spectra from Doppler Backscattering (DBS), with and without ECH. Inner core DBS density fluctuations display discrete frequencies with adjacent toroidal mode numbers, which we identify as DGTEMs. GS2 [W. Dorland et al., Phys. Rev. Lett. 85 5579 (2000)] predictions show the DGTEM can be suppressed, to avoid degradation with electron heating, by broadening the current density profile to attain q0 > qmin > 1.

  1. Comparison of F-region electron density observations by satellite radio tomography and incoherent scatter methods

    NASA Astrophysics Data System (ADS)

    Nygrén, T.; Markkanen, M.; Lehtinen, M.; Tereshchenko, E. D.; Khudukon, B. Z.; Evstafiev, O. V.; Pollari, P.

    1996-12-01

    In November 1995 a campaign of satellite radiotomography supported by the EISCAT incoherent scatter radar and several other instruments was arranged in Scandinavia. A chain of four satellite receivers extending from the north of Norway to the south of Finland was installed approximately along a geomagnetic meridian. The receivers carried out difference Doppler measurements using signals from satellites flying along the chain. The EISCAT UHF radar was simultaneously operational with its beam swinging either in geomagnetic or in geographic meridional plane. With this experimental set-up latitudinal scans of F-region electron density are obtained both from the radar observations and by tomographic inversion of the phase observations given by the difference Doppler experiment. This paper shows the first results of the campaign and compares the electron densities given by the two methods. Acknowledgements. This work has been supported by the UK Particle-Physics and Astronomy Research Council. The assistance of the director and staff of the EISCAT Scientific Association, the staff of the Norsk Polarinstitutt and the director and staff of the Swedish Institute of Space Physics is gratefully acknowledged. In addition the authors would like to thank Professor Evgeny Tereshchenko of the Polar Geophysical Institute in Mumansk, Russia and Dr Tuomo Nygrén of the University of Oulu, Finland for provision of data from EISCAT special program time during the November 1995 campaign. Topical Editor D. Alcaydé thanks E. J. Fremouw and another referee for their help in evaluating this paper.--> Correspondence to: I. K. Walker-->

  2. Density functional theory study on electron and hole transport properties of organic pentacene derivatives with electron-withdrawing substituent.

    PubMed

    Chai, Shuo; Wen, Shu-Hao; Huang, Jin-Dou; Han, Ke-Li

    2011-11-30

    Attaching electron-withdrawing substituent to organic conjugated molecules is considered as an effective method to produce n-type and ambipolar transport materials. In this work, we use density functional theory calculations to investigate the electron and hole transport properties of pentacene (PENT) derivatives after substituent and simulate the angular resolution anisotropic mobility for both electron and hole transport. Our results show that adding electron-withdrawing substituents can lower the energy level of lowest unoccupied molecular orbital (LUMO) and increase electron affinity, which are beneficial to the electron injection and ambient stability of the material. Also the LUMO electronic couplings for electron transport in these pentacene derivatives can achieve up to a hundred meV which promises good electron transport mobility, although adding electron-withdrawing groups will introduce the increase of electron transfer reorganization energy. The final results of our angular resolution anisotropic mobility simulations show that the electron mobility of these pentacene derivatives can get to several cm(2) V(-1) s(-1), but it is important to control the orientation of the organic material relative to the device channel to obtain the highest electron mobility. Our investigation provide detailed information to assist in the design of n-type and ambipolar organic electronic materials with high mobility performance. Copyright © 2011 Wiley Periodicals, Inc.

  3. Theoretical calculation of electron density and temperature in the edge of tokamak

    NASA Astrophysics Data System (ADS)

    Asif, Muhammad; Asif, Anila

    2017-06-01

    In this work, we use a method based on the concept of particle confinement time (τp) uniqueness to calculate the electron density and temperature in ohmically heated, edge plasma of the Hefei tokamak-7. Here, with the help of the data taken from Johnson and Hinnov’s table, we have done an extensive work to find electron densities and temperatures that satisfy the τp uniqueness to evaluate the temporal evolution of electron density (ne) and temperature (Te). The results are in good agreement as measured from the Langmuir probe array in previous works.

  4. Theoretical discussion for electron-density distribution in multicusp ion source

    NASA Astrophysics Data System (ADS)

    Zhan, Hualin; Hu, Chundong; Xie, Yahong; Wu, Bin; Wang, Jinfang; Liang, Lizheng; Wei, Jianglong

    2011-03-01

    By introducing some ideas of magnetohydrodynamics (MHD) and kinetic theories, some useful solutions for electron-density distribution in the radial direction in multicusp ion source are obtained. Therefore, some conclusions are made in this perspective: 1, the electron-density distributions in a specific region in the sheath are the same with or without magnetic field; 2, the influence of magnetic field on the electron density obeys exponential law, which should take into account the collision term as well if the magnetic field is strong; 3, the result derived from the Boltzmann equation is qualitatively consistent with some given experimental results.

  5. Theoretical discussion for electron-density distribution in multicusp ion source

    SciTech Connect

    Zhan Hualin; Hu Chundong; Xie Yahong; Wu Bin; Wang Jinfang; Liang Lizheng; Wei Jianglong

    2011-03-21

    By introducing some ideas of magnetohydrodynamics (MHD) and kinetic theories, some useful solutions for electron-density distribution in the radial direction in multicusp ion source are obtained. Therefore, some conclusions are made in this perspective: 1, the electron-density distributions in a specific region in the sheath are the same with or without magnetic field; 2, the influence of magnetic field on the electron density obeys exponential law, which should take into account the collision term as well if the magnetic field is strong; 3, the result derived from the Boltzmann equation is qualitatively consistent with some given experimental results.

  6. Accurately extracting the signature of intermolecular interactions present in the NCI plot of the reduced density gradient versus electron density.

    PubMed

    Lefebvre, Corentin; Rubez, Gaëtan; Khartabil, Hassan; Boisson, Jean-Charles; Contreras-García, Julia; Hénon, Eric

    2017-07-21

    An electron density (ED)-based methodology is developed for the automatic identification of intermolecular interactions using pro-molecular density. The expression of the ED gradient in terms of atomic components furnishes the basis for the Independent Gradient Model (IGM). This model leads to a density reference for non interacting atoms/fragments where the atomic densities are added whilst their interaction turns off. Founded on this ED reference function that features an exponential decay also in interference regions, IGM model provides a way to identify and quantify the net ED gradient attenuation due to interactions. Using an intra/inter uncoupling scheme, a descriptor (δg(inter)) is then derived that uniquely defines intermolecular interaction regions. An attractive feature of the IGM methodology is to provide a workflow that automatically generates data composed solely of intermolecular interactions for drawing the corresponding 3D isosurface representations.

  7. Experimental Characterization of the Electron Heat Transport in Low-Density ASDEX Upgrade Plasmas

    SciTech Connect

    Ryter, F.; Imbeaux, F.; Leuterer, F.; Fahrbach, H.-U.; Suttrop, W.; ASDEX Upgrade Team

    2001-06-11

    The electron heat transport is investigated in ASDEX Upgrade conventional L -mode plasmas with pure electron heating provided by electron-cyclotron heating (ECH) at low density. Under these conditions, steady-state and ECH modulation experiments indicate without ambiguity that electron heat transport exhibits a clear threshold in {nabla}T{sub e}/T{sub e} and also suggest that it has a gyro-Bohm character.

  8. Wavefront-sensor-based electron density measurements for laser-plasma accelerators

    SciTech Connect

    Plateau, Guillaume; Matlis, Nicholas; Geddes, Cameron; Gonsalves, Anthony; Shiraishi, Satomi; Lin, Chen; van Mourik, Reinier; Leemans, Wim

    2010-02-20

    Characterization of the electron density in laser produced plasmas is presented using direct wavefront analysis of a probe laser beam. The performance of a laser-driven plasma-wakefield accelerator depends on the plasma wavelength, hence on the electron density. Density measurements using a conventional folded-wave interferometer and using a commercial wavefront sensor are compared for different regimes of the laser-plasma accelerator. It is shown that direct wavefront measurements agree with interferometric measurements and, because of the robustness of the compact commercial device, have greater phase sensitivity, straightforward analysis, improving shot-to-shot plasma-density diagnostics.

  9. PMSE observations with the EISCAT VHF- and UHF-radars: Ice particles and their effect on ambient electron densities

    NASA Astrophysics Data System (ADS)

    Li, Qiang; Rapp, Markus

    2013-11-01

    It is now well understood that the occurrence of PMSE is closely connected to the presence of ice particles. These ice particles modify the ambient electron density by electron attachment which occasionally leads to large electron density depletions which have also been called ‘biteouts’. There has been some debate in the literature regarding the relative depth of such depletions which is usually expressed by the parameter Λ=|ZA|NA/ne. Here, |ZA|NA is the charge number density of ice particles and ne is the electron density. In this paper, we present, for the first time, the statistical distribution of Λ using measurements with the EISCAT VHF- and UHF-radars. Based on 25 h of simultaneous observations, we derived a total of 757 Λ values based on 15 min of data each. In each of these cases, PMSE were observed with the EISCAT VHF-radar but not with the UHF-radar and the UHF-measurement were hence used to determine the electron density profile. From these 757 cases, there are 699 cases with Λ⪡1, and only 33 cases with Λ>0.5 (21 cases with Λ>1). A correlation analysis of Λ versus PMSE volume reflectivities further reveals that there is no strong dependence between the two parameters. This is in accordance with current PMSE-theory based on turbulence in combination with a large Schmidt-number. The maxima of Λ from each profile show a negative relationship with the undisturbed electron densities deduced at the same altitudes. This reveals that the variability of Λ mainly depends on the variability of the electron densities. In addition, variations of aerosol number densities may also play a role. Although part of the observations were conducted during the HF heating experiments, the so-called overshoot effects did not significantly bias our statistical results. In order to avoid missing biteouts because of a superposition of coherent and incoherent scatter in the UHF-data, we finally calculated spectral parameters n by applying a simple fit to auto

  10. Ionospheric electron density inversion for Global Navigation Satellite Systems radio occultation using aided Abel inversions

    NASA Astrophysics Data System (ADS)

    Chou, Min Yang; Lin, Charles C. H.; Tsai, Ho Fang; Lin, Chi Yen

    2017-01-01

    The Abel inversion of ionospheric electron density profiles with the assumption of spherical symmetry applied for radio occultation soundings could introduce a greater systematic error or sometimes artifacts if the occultation rays trespass regions with larger horizontal gradients in electron density. The aided Abel inversions have been proposed by considering the asymmetry ratio derived from ionospheric total electron content (TEC) or peak density (NmF2) of reconstructed observation maps since knowledge of the horizontal asymmetry in ambient ionospheric density could mitigate the inversion error. Here we propose a new aided Abel inversion using three-dimensional time-dependent electron density (Ne) based on the climatological maps constructed from previous observations, as it has an advantage of providing altitudinal information on the horizontal asymmetry. Improvement of proposed Ne-aided Abel inversion and comparisons with electron density profiles inverted from the NmF2- and TEC-aided inversions are studied using observation system simulation experiments. Comparison results show that all three aided Abel inversions improve the ionospheric profiling by mitigating the artificial plasma caves and negative electron density in the daytime E region. The equatorial ionization anomaly crests in the F region become more distinct. The statistical results show that the Ne-aided Abel inversion has less mean and RMS error of error percentage above 250 km altitudes, and the performances for all aided Abel inversions are similar below 250 km altitudes.

  11. Warm O(+) polar wind and the DE-1 polar cap electron density profile

    NASA Technical Reports Server (NTRS)

    Ho, C. W.; Horwitz, J. L.

    1993-01-01

    Theoretical steady state semikinetic polar wind density profiles, based on DE1/RIMS polar wind data (up to 3700 km), were obtained which agree very well with the power law electron density profile measured by the DE1/PWI for high altitudes. The polar wind is found to be O(+) dominated for the full altitude range considered (up to 8 R(E)). Multiple solutions are obtained for various combinations of base altitude ion temperatures and electron temperatures, such that the densities fit the Persoon et al. (1983) profile. For example, good fits to measured density profile are found for low base ion temperatures (5000 K) and high electron temperatures (9000 K), and also for unheated H(+) and O(+)(3000 K) with electron temperatures of 11,000 K. Below 2.8 R(E) the theoretical polar wind density deviates somewhat from the r exp -3.85 power law. It is concluded that this theoretical polar wind density profile, with a sum of base electron and ion temperatures of 14,000 K, yields a close match with the measured DE-1 electron density profile.

  12. An improved inversion for FORMOSAT-3/COSMIC ionosphere electron density profiles

    NASA Astrophysics Data System (ADS)

    Pedatella, N. M.; Yue, X.; Schreiner, W. S.

    2015-10-01

    An improved method to retrieve electron density profiles from Global Positioning System (GPS) radio occultation (RO) data is presented and applied to Constellation Observing System for Meteorology, Ionosphere, and Climate (COSMIC) observations. The improved inversion uses a monthly grid of COSMIC F region peak densities (NmF2), which are obtained via the standard Abel inversion, to aid the Abel inversion by providing information on the horizontal gradients in the ionosphere. This lessens the impact of ionospheric gradients on the retrieval of GPS RO electron density profiles, reducing the dominant error source in the standard Abel inversion. Results are presented that demonstrate the NmF2 aided retrieval significantly improves the quality of the COSMIC electron density profiles. Improvements are most notable at E region altitudes, where the improved inversion reduces the artificial plasma cave that is generated by the Abel inversion spherical symmetry assumption at low latitudes during the daytime. Occurrence of unphysical negative electron densities at E region altitudes is also reduced. Furthermore, the NmF2 aided inversion has a positive impact at F region altitudes, where it results in a more distinct equatorial ionization anomaly. COSMIC electron density profiles inverted using our new approach are currently available through the University Corporation for Atmospheric Research COSMIC Data Analysis and Archive Center. Owing to the significant improvement in the results, COSMIC data users are encouraged to use electron density profiles based on the improved inversion rather than those inverted by the standard Abel inversion.

  13. An x-ray backlit Talbot-Lau deflectometer for high-energy-density electron density diagnostics

    SciTech Connect

    Valdivia, M. P.; Stutman, D.; Stoeckl, C.; Theobald, W.; Mileham, C.; Begishev, I. A.; Bromage, J.; Regan, S. P.

    2016-02-10

    X-ray phase-contrast techniques can measure electron density gradients in high-energy-density plasmas through refraction induced phase shifts. An 8 keV Talbot-Lau interferometer consisting of free standing ultrathin gratings was deployed at an ultra-short, high-intensity laser system using K-shell emission from a 1-30 J, 8 ps laser pulse focused on thin Cu foil targets. Grating survival was demonstrated for 30 J, 8 ps laser pulses. The first x-ray deflectometry images obtained under laser backlighting showed up to 25% image contrast and thus enabled detection of electron areal density gradients with a maximum value of 8.1 ± 0.5 × 1023 cm₋3 in a low-Z millimeter sized sample. An electron density profile was obtained from refraction measurements with an error of <8%. We found the 50 ± 15 μm spatial resolution achieved across the full field of view was limited by the x-ray source-size, similar to conventional radiography.

  14. An x-ray backlit Talbot-Lau deflectometer for high-energy-density electron density diagnostics

    DOE PAGES

    Valdivia, M. P.; Stutman, D.; Stoeckl, C.; ...

    2016-02-10

    X-ray phase-contrast techniques can measure electron density gradients in high-energy-density plasmas through refraction induced phase shifts. An 8 keV Talbot-Lau interferometer consisting of free standing ultrathin gratings was deployed at an ultra-short, high-intensity laser system using K-shell emission from a 1-30 J, 8 ps laser pulse focused on thin Cu foil targets. Grating survival was demonstrated for 30 J, 8 ps laser pulses. The first x-ray deflectometry images obtained under laser backlighting showed up to 25% image contrast and thus enabled detection of electron areal density gradients with a maximum value of 8.1 ± 0.5 × 1023 cm₋3 in amore » low-Z millimeter sized sample. An electron density profile was obtained from refraction measurements with an error of <8%. We found the 50 ± 15 μm spatial resolution achieved across the full field of view was limited by the x-ray source-size, similar to conventional radiography.« less

  15. An x-ray backlit Talbot-Lau deflectometer for high-energy-density electron density diagnostics.

    PubMed

    Valdivia, M P; Stutman, D; Stoeckl, C; Theobald, W; Mileham, C; Begishev, I A; Bromage, J; Regan, S P

    2016-02-01

    X-ray phase-contrast techniques can measure electron density gradients in high-energy-density plasmas through refraction induced phase shifts. An 8 keV Talbot-Lau interferometer consisting of free standing ultrathin gratings was deployed at an ultra-short, high-intensity laser system using K-shell emission from a 1-30 J, 8 ps laser pulse focused on thin Cu foil targets. Grating survival was demonstrated for 30 J, 8 ps laser pulses. The first x-ray deflectometry images obtained under laser backlighting showed up to 25% image contrast and thus enabled detection of electron areal density gradients with a maximum value of 8.1 ± 0.5 × 10(23) cm(-3) in a low-Z millimeter sized sample. An electron density profile was obtained from refraction measurements with an error of <8%. The 50 ± 15 μm spatial resolution achieved across the full field of view was found to be limited by the x-ray source-size, similar to conventional radiography.

  16. Discharge dynamics and plasma density recovery by on/off switches of additional gas

    SciTech Connect

    Lee, Hyo-Chang; Kwon, Deuk-Chul; Oh, SeungJu; Kang, Hyun-Ju; Kim, Yu-Sin; Chung, Chin-Wook

    2016-06-15

    Measurement of the plasma density is investigated to study plasma dynamics by adding reactive gas (O{sub 2}) or rare gas (He) in Ar plasmas. When the O{sub 2} or He gas is added, plasma density is suddenly decreased, while the plasma density recovers slowly with gas off. It is found that the recovery time is strongly dependent on the gas flow rate, and it can be explained by effect of gas residence time. When the He gas is off in the Ar plasma, the plasma density is overshot compared to the case of the O{sub 2} gas pulsing due to enhanced ionizations by metastable atoms. Analysis and calculation for correlation between the plasma density dynamics and the gas pulsing are also presented in detail.

  17. Communication: Near-locality of exchange and correlation density functionals for 1- and 2-electron systems.

    PubMed

    Sun, Jianwei; Perdew, John P; Yang, Zenghui; Peng, Haowei

    2016-05-21

    The uniform electron gas and the hydrogen atom play fundamental roles in condensed matter physics and quantum chemistry. The former has an infinite number of electrons uniformly distributed over the neutralizing positively charged background, and the latter only one electron bound to the proton. The uniform electron gas was used to derive the local spin density approximation to the exchange-correlation functional that undergirds the development of the Kohn-Sham density functional theory. We show here that the ground-state exchange-correlation energies of the hydrogen atom and many other 1- and 2-electron systems are modeled surprisingly well by a different local spin density approximation (LSDA0). LSDA0 is constructed to satisfy exact constraints but agrees surprisingly well with the exact results for a uniform two-electron density in a finite, curved three-dimensional space. We also apply LSDA0 to excited or noded 1-electron densities, where it works less well. Furthermore, we show that the localization of the exact exchange hole for a 1- or 2-electron ground state can be measured by the ratio of the exact exchange energy to its optimal lower bound.

  18. Explaining the high electron density observed during T57

    NASA Astrophysics Data System (ADS)

    Snowden, Darci; Smith, Mike; Jimson, Theo

    2016-06-01

    Previous work (e.g. Snowden et al. 2014) showed that energy deposition rates in Titan's atmosphere due to the precipitation of magnetospheric electrons and ions are small compared to the energy flux due to solar EUV. However, some of these results relied on energy flux rates at Titan's exobase calculated from Voyager 1 data or data from a small number of Cassini flybys. Cassini has shown that the plasma environment around Titan is extremely variable and that the Voyager 1 conditions are not characteristic of an average plasma environment. Therefore, we further investigate the issue using particle tracing simulations for ions and a two stream model for electrons in combination with a 3D model of Titan's induced magnetosphere. We find that energy deposition and ionization rates in Titan's atmosphere do not only depend on the upstream energy distribution of magnetospheric plasma near Titan (e.g. plasma sheet or lobe-like), but also on the characteristics of Titan's Alfven wing structure and the strength of the induced field. Surprisingly, we find that the energy deposition and ionization rates in Titan upper atmosphere may be higher when Titan is in Saturn's magnetospheric lobes due reduced shielding of magnetospheric ions. Our simulations confirm that the globally averaged energy deposition rates due to magnetospheric particles are smaller than solar radiation.

  19. Experimental confirmation of calculated phases and electron density profile for wet native collagen.

    PubMed Central

    Stinson, R H; Bartlett, M W; Kurg, T; Sweeny, P R; Hendricks, R W

    1979-01-01

    An experimental procedure is developed to phase the reflections obtained in x-ray diffraction investigations of collagen in native wet tendons. Phosphotungstic acid was used for isomorphous addition in phase determination and was located by electron microscopy. Structure factors (with phases) were obtained from the electron microscopy data for the heavy metal. Structure-factor magnitudes for collagen with and without the heavy metal were obtained from the x-ray diffraction data. The first 10 orders were investigated. Standard Argand diagrams provided two solutions for each of these, except the weak sixth order. In each case, one of the two possible solutions agrees well with the phases proposed on theoretical grounds by Hulmes et al. The present results suggest that their other proposed phases are probably correct. An electron density profile along the unit cell of the fibril is presented that shows a distinct step, as expected on the basis of the hole-overlap model. The overlap region is 48% of the length of the unit cell. Images FIGURE 2 PMID:262416

  20. A new version of the NeQuick ionosphere electron density model

    NASA Astrophysics Data System (ADS)

    Nava, B.; Coïsson, P.; Radicella, S. M.

    2008-12-01

    NeQuick is a three-dimensional and time dependent ionospheric electron density model developed at the Aeronomy and Radiopropagation Laboratory of the Abdus Salam International Centre for Theoretical Physics (ICTP), Trieste, Italy and at the Institute for Geophysics, Astrophysics and Meteorology of the University of Graz, Austria. It is a quick-run model particularly tailored for trans-ionospheric applications that allows one to calculate the electron concentration at any given location in the ionosphere and thus the total electron content (TEC) along any ground-to-satellite ray-path by means of numerical integration. Taking advantage of the increasing amount of available data, the model formulation is continuously updated to improve NeQuick capabilities to provide representations of the ionosphere at global scales. Recently, major changes have been introduced in the model topside formulation and important modifications have also been introduced in the bottomside description. In addition, specific revisions have been applied to the computer package associated to NeQuick in order to improve its computational efficiency. It has therefore been considered appropriate to finalize all the model developments in a new version of the NeQuick. In the present work the main features of NeQuick 2 are illustrated and some results related to validation tests are reported.

  1. Direct observation of many-body charge density oscillations in a two-dimensional electron gas

    NASA Astrophysics Data System (ADS)

    Sessi, Paolo; Silkin, Vyacheslav M.; Nechaev, Ilya A.; Bathon, Thomas; El-Kareh, Lydia; Chulkov, Evgueni V.; Echenique, Pedro M.; Bode, Matthias

    2015-10-01

    Quantum interference is a striking manifestation of one of the basic concepts of quantum mechanics: the particle-wave duality. A spectacular visualization of this effect is the standing wave pattern produced by elastic scattering of surface electrons around defects, which corresponds to a modulation of the electronic local density of states and can be imaged using a scanning tunnelling microscope. To date, quantum-interference measurements were mainly interpreted in terms of interfering electrons or holes of the underlying band-structure description. Here, by imaging energy-dependent standing-wave patterns at noble metal surfaces, we reveal, in addition to the conventional surface-state band, the existence of an `anomalous' energy band with a well-defined dispersion. Its origin is explained by the presence of a satellite in the structure of the many-body spectral function, which is related to the acoustic surface plasmon. Visualizing the corresponding charge oscillations provides thus direct access to many-body interactions at the atomic scale.

  2. All-electron density functional theory and time-dependent density functional theory with high-order finite elements.

    PubMed

    Lehtovaara, Lauri; Havu, Ville; Puska, Martti

    2009-08-07

    We present for static density functional theory and time-dependent density functional theory calculations an all-electron method which employs high-order hierarchical finite-element bases. Our mesh generation scheme, in which structured atomic meshes are merged to an unstructured molecular mesh, allows a highly nonuniform discretization of the space. Thus it is possible to represent the core and valence states using the same discretization scheme, i.e., no pseudopotentials or similar treatments are required. The nonuniform discretization also allows the use of large simulation cells, and therefore avoids any boundary effects.

  3. Rapid discrimination of slimming capsules based on illegal additives by electronic nose and flash gas chromatography.

    PubMed

    Xia, Zhenzhen; Cai, Wensheng; Shao, Xueguang

    2015-02-01

    The discrimination of counterfeit and/or illegally manufactured medicines is an important task in the pharmaceutical industry for pharmaceutical safety. In this study, 22 slimming capsule samples with illegally added sibutramine and phenolphthalein were analyzed by electronic nose and flash gas chromatography. To reveal the difference among the different classes of samples, principal component analysis and linear discriminant analysis were employed to analyze the data acquired from electronic nose and flash gas chromatography, respectively. The samples without illegal additives can be discriminated from the ones with illegal additives by using electronic nose or flash gas chromatography data individually. To improve the performance of classification, a data fusion strategy was applied to integrate the data from electronic nose and flash gas chromatography data into a single model. The results show that the samples with phenolphthalein, sibutramine and both can be classified well by using fused data. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. A simple and straightforward expression for curling probe electron density diagnosis in reactive plasmas

    NASA Astrophysics Data System (ADS)

    Arshadi, Ali; Brinkmann, Ralf Peter; Hotta, Masaya; Nakamura, Keiji

    2017-04-01

    Active plasma resonance spectroscopy (APRS) refers to the family of plasma diagnostic methods which utilize the ability of plasmas to resonate at frequencies close to the plasma frequency. APRS operates by exciting the plasma with a weak RF signal by means of a small electric probe. The response of the plasma is recorded by a network analyzer (NA). A mathematical model is applied to derive characteristics like the electron density and the electron temperature. The curling probe is a promising realization of APRS. The curling probe is well-qualified for the local measurement of the electron density in reactive plasmas. This spiral probe resonates in plasma at a larger density dependent frequency than the plasma frequency. This manuscript represents a simple and straightforward expression relating this resonance frequency to the electron density of the plasma. A good agreement is observed between the proposed expression and the results obtained from previous studies and numerical simulations.

  5. High energy density capacitors for power electronic applications using nano-structure multilayer technology

    SciTech Connect

    Barbee, T.W. Jr.; Johnson, G.W.

    1995-09-01

    Power electronics applications are currently limited by capacitor size and performance. Only incremental improvements are anticipated in existing capacitor technologies, while significant performance advances are required in energy density and overall performance to meet the technical needs of the applications which are important for U.S. economic competitiveness. One application, the Power Electronic Building Block (PEBB), promises a second electronics revolution in power electronic design. High energy density capacitors with excellent electrical thermal and mechanical performance represent an enabling technology in the PEBB concept. We propose a continuing program to research and develop LLNL`s nano-structure multilayer technologies for making high voltage, high energy density capacitors. Our controlled deposition techniques are capable of synthesizing extraordinarily smooth sub-micron thick layers of dielectric and conductor materials. We have demonstrated that, with this technology, high voltage capacitors with an order of magnitude improvement in energy density are achievable.

  6. Plasma sheath: An equivalent nonlinear mirror between electron density and transmitted electromagnetic signal

    NASA Astrophysics Data System (ADS)

    Yao, Bo; Li, Xiaoping; Shi, Lei; Liu, Yanming; Lei, Fan; Zhu, Congying

    2017-10-01

    An experiment on the propagation of electromagnetic (EM) signals in continuous time-varying plasma is designed to establish the nonlinear mirror between electron density and transmission coefficient. The nonlinearity is confirmed from the theoretical and experimental results. The amplitude and phase can be considered nonlinear functions of electron density when the complex interaction between plasma and EM waves is ignored. Results show that amplitude and phase distributions are asymmetrical when electron density follows symmetric distribution. The skewness of amplitude is positive, whereas the skewness of phase is negative. The nonlinear degree is closely related to the ratio of plasma frequency to the incident wave frequency and the range of electron density. The conclusions are crucial to the modeling of plasma sheath channels and understanding the blackout problem.

  7. Comparisons of ionospheric electron density distributions reconstructed by GPS computerized tomography, backscatter ionograms, and vertical ionograms

    NASA Astrophysics Data System (ADS)

    Zhou, Chen; Lei, Yong; Li, Bofeng; An, Jiachun; Zhu, Peng; Jiang, Chunhua; Zhao, Zhengyu; Zhang, Yuannong; Ni, Binbin; Wang, Zemin; Zhou, Xuhua

    2015-12-01

    Global Positioning System (GPS) computerized ionosphere tomography (CIT) and ionospheric sky wave ground backscatter radar are both capable of measuring the large-scale, two-dimensional (2-D) distributions of ionospheric electron density (IED). Here we report the spatial and temporal electron density results obtained by GPS CIT and backscatter ionogram (BSI) inversion for three individual experiments. Both the GPS CIT and BSI inversion techniques demonstrate the capability and the consistency of reconstructing large-scale IED distributions. To validate the results, electron density profiles obtained from GPS CIT and BSI inversion are quantitatively compared to the vertical ionosonde data, which clearly manifests that both methods output accurate information of ionopsheric electron density and thereby provide reliable approaches to ionospheric soundings. Our study can improve current understanding of the capability and insufficiency of these two methods on the large-scale IED reconstruction.

  8. Seasonal and solar activity variability of D-region electron density at 69°N

    NASA Astrophysics Data System (ADS)

    Singer, Werner; Latteck, Ralph; Friedrich, Martin; Wakabayashi, Makato; Rapp, Markus

    2011-06-01

    A narrow beam Doppler radar operating at 3.17 MHz and installed close to the Andøya Rocket Range in Andenes, Norway, (69.3°N, 16.0°E) has been providing electron densities in the lower ionosphere since summer 2003. The experiment utilizes partial reflection of ordinary and extraordinary component waves from scatterers in the altitude range 50-95 km to estimate electron densities from differential absorption and differential phase measurements. These ground-based observations are in good agreement with concurrent rocket-borne radio wave propagation measurements at Andenes. Results of the diurnal and seasonal variability of electron densities and the response of D-region electron densities to solar activity storms are presented.

  9. Automated determination of electron density from electric field measurements on the Van Allen Probes spacecraft

    NASA Astrophysics Data System (ADS)

    Zhelavskaya, Irina; Kurth, William; Spasojevic, Maria; Shprits, Yuri

    2016-07-01

    We present the Neural-network-based Upper-hybrid Resonance Determination (NURD) algorithm for automatic inference of the electron number density from plasma wave measurements made onboard NASA's Van Allen Probes mission. A feedforward neural network is developed to determine the upper hybrid resonance frequency, f_{uhr}, from electric field measurements, which is then used to calculate the electron number density. In previous missions, the plasma resonance bands were manually identified, and there have been few attempts to do robust, routine automated detections. We describe the design and implementation of the algorithm and perform an initial analysis of the resulting electron number density distribution obtained by applying NURD to 2.5 years of data collected with the EMFISIS instrumentation suite of the Van Allen Probes mission. Densities obtained by NURD are compared to those obtained by another recently developed automated technique and also to an existing empirical plasmasphere and trough density model.

  10. Measurements of plasma bremsstrahlung and plasma energy density produced by electron cyclotron resonance ion source plasmas

    NASA Astrophysics Data System (ADS)

    Noland, Jonathan David

    2011-12-01

    edge and the trailing edge of the microwave pulse. Microwave power, however, had almost no impact on the ignition times of the plasma. The plasma energy density e-fold times were insensitive to both neutral pressure and magnetic field setting. Neutral pressure, however, had a dramatic effect on the time of first appearance of the diamagnetic signal ("plasma ignition time"). In addition to neutral pressure, ignition times were also a function the relative abundance of electrons in the plasma chamber at the beginning of a microwave pulse. In all instances, the rise time of the integrated diamagnetic signal was seen to be faster than the decay time. By comparing the unintegrated diamagnetic signal to the ratio of reflected to forward microwave power we theorized that the initial, exponential rise in the diamagnetic signal at the leading edge of a microwave pulse was due to rapid changes in both the average electron energy and density. During the slowly decaying portion of the diamagnetic loop signal, only the hot tail of the electron population was increasing. This theory was supported by time resolved, low energy x-ray measurements that showed that the period of rapid change of the ratio of reflected to forward microwave power coincided with a rapid change in average photon energy. We have also showed that x-rays production in an ECRIS plasma was highly anisotropic, with radial x-ray counts being much greater than axial x-ray counts. This was shown to be true for both the "ECR" (operating at 6.4 GHz) and the higher performance "AECR-U" (operating at 14 GHz). Based on this, we can make the qualitative statement that the electron energy was also highly anisotropic, with a much larger perpendicular energy than parallel energy. The degree of anisotropy was shown to increase with the operating frequency of the ion source. This increase was most likely attributable to the higher power density and greater confinement associated with higher performance machines, and implies that

  11. Excitation of surface plasma waves by a density modulated electron beam at a conductor-dusty plasma interface

    SciTech Connect

    Gupta, Ruby; Sharma, Suresh C.; Prakash, Ved

    2011-05-15

    A density modulated electron beam propagating through a conductor-dusty plasma interface drives electromagnetic surface plasma waves (SPWs) to instability via Cerenkov and cyclotron interaction. The SPWs propagate across an external magnetic field parallel to the interface. Numerical calculations of the growth rate and unstable mode frequencies have been carried out for the typical parameters of the SPWs. The frequency and the growth rate of the unstable wave instability increase with the relative density of negatively charged dust grains {delta} (= n{sub io}/n{sub eo}, where n{sub io} is the ion plasma density and n{sub eo} is the electron plasma density). The phase velocity of the unstable waves also increases with {delta}. In addition, the growth rate of the instability increases with the beam density and scales as one-third power of the beam density in Cerenkov interaction and square root of beam density in fast cyclotron interaction. Moreover, the dispersion relation of SPWs has been retrieved in the absence of the modulated beam and without dust grains.

  12. An ISEE/Whistler model of equatorial electron density in the magnetosphere

    NASA Technical Reports Server (NTRS)

    Carpenter, D. L.; Anderson, R. R.

    1992-01-01

    Attention is given to an empirical model of equatorial electron density in the magnetosphere covering the L range 2.25-8. Although the model is primarily intended for application to the local time interval 00-15 MLT, a way to extend the model to the 15-24-MLT period is presented. The model describes, in piecewise fashion, the 'saturated' plasmasphere, the region of steep plasmapause gradients, and the plasma trough. Within the plasmasphere the model profile can be expressed as logne - Sigma-xi, where x1 = -0.3145L + 3.9043 is the principal or 'reference' term, and additional terms account for: a solar cycle variation with a peak at solar maximum; an annual variation with a December maximum; and a semiannual variation with equinoctial maxima.

  13. Electronic densities of states of semi-infinite disordered chains: Comparisons of exact and analytic calculations

    NASA Astrophysics Data System (ADS)

    Hwang, M.; Podloucky, R.; Gonis, A.; Freeman, A. J.

    1986-01-01

    Results of exact and analytic calculations of the electronic densities of states (DOS's) associated with semi-infinite substitutionally disordered chains are presented using the exact position-space renormalization-group (PSRG) method, the augmented-space (AS) formalism, and the embedded-cluster method (ECM). In addition to total DOS's, the PSRG method allows the calculation of exact partial DOS's associated with local atomic configurations in a disordered material. Comparisons with the exact results indicate that as in the case of infinite materials the ECM provides a reliable method for the calculation of single-particle properties, such as the DOS, of semi-infinite systems. Furthermore, the ECM is found to be much more accurate than the AS formalism, especially in the case of concentrated substitutionally disordered alloys.

  14. Additive manufacturing of 316L stainless steel by electron beam melting for nuclear fusion applications

    NASA Astrophysics Data System (ADS)

    Zhong, Yuan; Rännar, Lars-Erik; Liu, Leifeng; Koptyug, Andrey; Wikman, Stefan; Olsen, Jon; Cui, Daqing; Shen, Zhijian

    2017-04-01

    A feasibility study was performed to fabricate ITER In-Vessel components by one of the metal additive manufacturing methods, Electron Beam Melting® (EBM®). Solid specimens of SS316L with 99.8% relative density were prepared from gas atomized precursor powder granules. After the EBM® process the phase remains as austenite and the composition has practically not been changed. The RCC-MR code used for nuclear pressure vessels provides guidelines for this study and tensile tests and Charpy-V tests were carried out at 22 °C (RT) and 250 °C (ET). This work provides the first set of mechanical and microstructure data of EBM® SS316L for nuclear fusion applications. The mechanical testing shows that the yield strength, ductility and toughness are well above the acceptance criteria and only the ultimate tensile strength of EBM® SS316L is below the RCC-MR code. Microstructure characterizations reveal the presence of hierarchical structures consisting of solidified melt pools, columnar grains and irregular shaped sub-grains. Lots of precipitates enriched in Cr and Mo are observed at columnar grain boundaries while no sign of element segregation is shown at the sub-grain boundaries. Such a unique microstructure forms during a non-equilibrium process, comprising rapid solidification and a gradient 'annealing' process due to anisotropic thermal flow of accumulated heat inside the powder granule matrix. Relations between process parameters, specimen geometry (total building time) and sub-grain structure are discussed. Defects are formed mainly due to the large layer thickness (100 μm) which generates insufficient bonding between a few of the adjacently formed melt pools during the process. Further studies should focus on adjusting layer thickness to improve the strength of EBM® SS316L and optimizing total building time.

  15. Use of Topside Sounding With Iri Model To Study The Electron Density In Plasmasphere and Ionosphere

    NASA Astrophysics Data System (ADS)

    Beloff, N.; Denisenko, P. F.; Maltseva, O. A.; Gough, M. P.; Klimov, S. I.; Nozdrachev, M. N.; Alleyne, H.; Bates, I.

    One of the major goals of near Earth space studies is a theoretical and experimen- tal investigation of the plasmaspheric and ionospheric responses to variations of solar wind and IMF parameters. The experiments carried out in the scope of INTERBALL project allow one to trace the propagation of the CME up to its effects on Earth's mag- netosphere. When the topside sounding data and the measurements from low-orbit satellites such as MIR station are simultaneously available, it becomes possible to ob- serve the variations of electron density in plasmasphere and ionosphere. In particular, such an observation is found to be useful for the empirical modeling of plasma dis- tribution. The most developed model of the ionosphere is the IRI model. However, the IRI model ensures high accuracy for the lower ionosphere, but yields significantly reduced accuracy for the top part. The largest errors occur near the satellite orbits lo- cated at the base level of the plasmaspheric model. Therefore it is important to use both magnetospheric and ionospheric measurements. Authors recommend that: 1) the IRI model should be corrected using N(h)-profile parameters obtained from topside ionograms. Various schemes were considered: i) use the value of electron plasma frequency near the satellite only; ii) use only some points from N(h)-profile or the full profile; iii) use different coefficients to modify a thickness of lower and top parts of the ionosphere; 2) in addition, one should use MIR station measurements to estimate the correlation of electron density behavior at various heights during the disturbances.

  16. Critical point representations of electron density maps for the comparison of benzodiazepine-type ligands.

    PubMed

    Leherte, L; Meurice, N; Vercauteren, D P

    2000-01-01

    A procedure for the comparison of three-dimensional electron density distributions is proposed for similarity searches between pharmacological ligands at various levels of crystallographic resolution. First, a graph representation of molecular electron density distributions is generated using a critical point analysis approach. Pairwise as well as multiple comparisons between the obtained graphs of critical points are then carried out using a Monte Carlo/simulated annealing technique, and results are compared with genetic algorithm solutions.

  17. Electron density profiles from ionograms - Underlying ionization corrections and their comparison with rocket results

    NASA Technical Reports Server (NTRS)

    Wright, J. W.; Paul, A. K.; Mechtly, E. A.

    1975-01-01

    Electron density profiles from nine daytime rocket flights at Wallops Island, Va., conducted at high and low levels of solar activity are compared with profiles calculated by inversion of ionograms obtained at the same times and location. Sources of error and uncertainty in the ionogram inversion are discussed, as are means for their amelioration. In most cases, agreement between the two kinds of measurement within a few percent in electron density and within a few percent of a scale height can be achieved.

  18. Effect of copper addition on density and magnetic susceptibility of lithium borate glasses

    NASA Astrophysics Data System (ADS)

    Kashif, I.; Soliman, A. A.; Farouk, H.; El-Shorpagy, M.; Sanad, A. M.

    2008-11-01

    Glasses of the (100- x) (Li 2O·2B 2O 3)· x CuO system, where x=0, 5, 10, 15, 20, 25 mol%, were prepared by melt quench technique. The glass samples were studied by magnetic susceptibility, density and infrared (IR) spectroscopic measurements. Molar volumes were estimated from density data. IR spectroscopic and density data show that the copper ions play a network modifier role and some ions as a network former by increasing the copper content in the studied glasses. The magnetic susceptibility data show a variable behavior due to the presence of two types of copper ions, cuprous (Cu +) and cupric (Cu 2+), in all samples.

  19. Accurate modeling of F-region electron densities

    NASA Astrophysics Data System (ADS)

    1994-01-01

    In the past year, we have made considerable progress in a number of areas including algorithm development, completion of two major case studies, and the development of a new EUV flux model. As a result, there has been a major improvement in our ability to model global emissions in support of NASA's imaging plans. Activity highlights include the following: developed a new algorithm to allow physical models to reproduce observed NmF2; investigated the relationship between NmF2 and F10.7 at Millstone Hill during 1990; developed a new solar EUV flux model; statistical survey of anomalously high nighttime electron T(sub e) at Millstone Hill; conducted a case study of the March 1990 magnetic storm; and conducted a comparison between theory and data of magnetically quiet behavior of the winter ionosphere at Millstone Hill.

  20. Accurate modeling of F-region electron densities

    NASA Technical Reports Server (NTRS)

    1994-01-01

    In the past year, we have made considerable progress in a number of areas including algorithm development, completion of two major case studies, and the development of a new EUV flux model. As a result, there has been a major improvement in our ability to model global emissions in support of NASA's imaging plans. Activity highlights include the following: developed a new algorithm to allow physical models to reproduce observed NmF2; investigated the relationship between NmF2 and F10.7 at Millstone Hill during 1990; developed a new solar EUV flux model; statistical survey of anomalously high nighttime electron T(sub e) at Millstone Hill; conducted a case study of the March 1990 magnetic storm; and conducted a comparison between theory and data of magnetically quiet behavior of the winter ionosphere at Millstone Hill.

  1. Electron cloud density measurements in accelerator beam-pipe using resonant microwave excitation

    NASA Astrophysics Data System (ADS)

    Sikora, John P.; Carlson, Benjamin T.; Duggins, Danielle O.; Hammond, Kenneth C.; De Santis, Stefano; Tencate, Alister J.

    2014-08-01

    An accelerator beam can generate low energy electrons in the beam-pipe, generally called electron cloud, that can produce instabilities in a positively charged beam. One method of measuring the electron cloud density is by coupling microwaves into and out of the beam-pipe and observing the response of the microwaves to the presence of the electron cloud. In the original technique, microwaves are transmitted through a section of beam-pipe and a change in EC density produces a change in the phase of the transmitted signal. This paper describes a variation on this technique in which the beam-pipe is resonantly excited with microwaves and the electron cloud density calculated from the change that it produces in the resonant frequency of the beam-pipe. The resonant technique has the advantage that measurements can be localized to sections of beam-pipe that are a meter or less in length with a greatly improved signal to noise ratio.

  2. Photocurrent enhancement in nonpolar liquids by the addition of electron scavengers

    SciTech Connect

    Howell, G.A.; Lee, K.; Tweeten, D.W.; Lipsky, S.

    1988-07-14

    The photocurrent from anthracene, triphenylamine, and N,N,N',N'-tetramethyl-p-phenylenediamine excited above their ionization thresholds in liquid n-pentane or n-hexane is found to be enhanced by the addition of low concentrations (/approx lt/0.02 M) of the electron scavengers perfluoromethylcyclohexane or perfluorodecalin. The enhancement is not observed in solvents of higher electron mobility (e.g.,. cyclohexane, isooctane, etc.) or for scavengers of lower electron affinity (e.g., n-perfluorohexane). For the solute naphthalene, no enhancement is observed under any conditions. The effects of excitation energy and applied electric field strength are reported.

  3. An investigation into factors affecting electron density calibration for a megavoltage cone-beam CT system.

    PubMed

    Hughes, Jessica; Holloway, Lois C; Quinn, Alexandra; Fielding, Andrew

    2012-09-06

    There is a growing interest in the use of megavoltage cone-beam computed tomography (MV CBCT) data for radiotherapy treatment planning. To calculate accurate dose distributions, knowledge of the electron density (ED) of the tissues being irradiated is required. In the case of MV CBCT, it is necessary to determine a calibration-relating CT number to ED, utilizing the photon beam produced for MV CBCT. A number of different parameters can affect this calibration. This study was undertaken on the Siemens MV CBCT system, MVision, to evaluate the effect of the following parameters on the reconstructed CT pixel value to ED calibration: the number of monitor units (MUs) used (5, 8, 15 and 60 MUs), the image reconstruction filter (head and neck, and pelvis), reconstruction matrix size (256 by 256 and 512 by 512), and the addition of extra solid water surrounding the ED phantom. A Gammex electron density CT phantom containing EDs from 0.292 to 1.707 was imaged under each of these conditions. The linear relationship between MV CBCT pixel value and ED was demonstrated for all MU settings and over the range of EDs. Changes in MU number did not dramatically alter the MV CBCT ED calibration. The use of different reconstruction filters was found to affect the MV CBCT ED calibration, as was the addition of solid water surrounding the phantom. Dose distributions from treatment plans calculated with simulated image data from a 15 MU head and neck reconstruction filter MV CBCT image and a MV CBCT ED calibration curve from the image data parameters and a 15 MU pelvis reconstruction filter showed small and clinically insignificant differences. Thus, the use of a single MV CBCT ED calibration curve is unlikely to result in any clinical differences. However, to ensure minimal uncertainties in dose reporting, MV CBCT ED calibration measurements could be carried out using parameter-specific calibration measurements.

  4. Generalization of the Kohn-Sham system that can represent arbitrary one-electron density matrices

    DOE PAGES

    Hubertus J. J. van Dam

    2016-04-27

    Density functional theory is currently the most widely applied method in electronic structure theory. The Kohn-Sham method, based on a fictitious system of noninteracting particles, is the workhorse of the theory. The particular form of the Kohn-Sham wave function admits only idempotent one-electron density matrices whereas wave functions of correlated electrons in post-Hartree-Fock methods invariably have fractional occupation numbers. Here we show that by generalizing the orbital concept and introducing a suitable dot product as well as a probability density, a noninteracting system can be chosen that can represent the one-electron density matrix of any system, even one with fractionalmore » occupation numbers. This fictitious system ensures that the exact electron density is accessible within density functional theory. It can also serve as the basis for reduced density matrix functional theory. Moreover, to aid the analysis of the results the orbitals may be assigned energies from a mean-field Hamiltonian. This produces energy levels that are akin to Hartree-Fock orbital energies such that conventional analyses based on Koopmans' theorem are available. Lastly, this system is convenient in formalisms that depend on creation and annihilation operators as they are trivially applied to single-determinant wave functions.« less

  5. Generalization of the Kohn-Sham system that can represent arbitrary one-electron density matrices

    NASA Astrophysics Data System (ADS)

    van Dam, Hubertus J. J.

    2016-05-01

    Density functional theory is currently the most widely applied method in electronic structure theory. The Kohn-Sham method, based on a fictitious system of noninteracting particles, is the workhorse of the theory. The particular form of the Kohn-Sham wave function admits only idempotent one-electron density matrices whereas wave functions of correlated electrons in post-Hartree-Fock methods invariably have fractional occupation numbers. Here we show that by generalizing the orbital concept and introducing a suitable dot product as well as a probability density, a noninteracting system can be chosen that can represent the one-electron density matrix of any system, even one with fractional occupation numbers. This fictitious system ensures that the exact electron density is accessible within density functional theory. It can also serve as the basis for reduced density matrix functional theory. Moreover, to aid the analysis of the results the orbitals may be assigned energies from a mean-field Hamiltonian. This produces energy levels that are akin to Hartree-Fock orbital energies such that conventional analyses based on Koopmans' theorem are available. Finally, this system is convenient in formalisms that depend on creation and annihilation operators as they are trivially applied to single-determinant wave functions.

  6. Generalization of the Kohn-Sham system that can represent arbitrary one-electron density matrices

    SciTech Connect

    Hubertus J. J. van Dam

    2016-04-27

    Density functional theory is currently the most widely applied method in electronic structure theory. The Kohn-Sham method, based on a fictitious system of noninteracting particles, is the workhorse of the theory. The particular form of the Kohn-Sham wave function admits only idempotent one-electron density matrices whereas wave functions of correlated electrons in post-Hartree-Fock methods invariably have fractional occupation numbers. Here we show that by generalizing the orbital concept and introducing a suitable dot product as well as a probability density, a noninteracting system can be chosen that can represent the one-electron density matrix of any system, even one with fractional occupation numbers. This fictitious system ensures that the exact electron density is accessible within density functional theory. It can also serve as the basis for reduced density matrix functional theory. Moreover, to aid the analysis of the results the orbitals may be assigned energies from a mean-field Hamiltonian. This produces energy levels that are akin to Hartree-Fock orbital energies such that conventional analyses based on Koopmans' theorem are available. Lastly, this system is convenient in formalisms that depend on creation and annihilation operators as they are trivially applied to single-determinant wave functions.

  7. Accurate electron densities from the Hiller-Sucher-Feinberg identity applied to constrained wavefunctions

    NASA Astrophysics Data System (ADS)

    Challacombe, Matt; Cioslowski, Jerzy

    When applied to electronic wavefunctions calculated with Gaussian-type basis functions, the Hiller-Sucher-Feinberg (HSF) identity improves the accuracy of the electron density at non-hydrogen nuclei by more than an order of magnitude, yielding approximate electron-nuclear cusps. However, the HSF electron densities at hydrogen nuclei bound to heavy atoms are greatly overestimated. This phenomenon is associated with the asymptotic behaviour of the HSF density, which incorrectly decreases to a constant when the sum of Hellmann-Feynman forces acting on nuclei is finite. A method for constraining variational wavefunctions to yield vanishing Hellmann-Feynman forces is described. Hartree-Fock calculations of the constrained HSF (CHSF) electron densities with the 6-31G, 6-31G**, and 6-311++G** basis sets are reported at the nuclei of various diatomic molecules, and are compared with their corresponding conventional, HSF, and Hartree-Fock limit values. These calculations show that differences between HSF and CHSF densities are minor at nonhydrogen nuclei. Importantly, the calculated HF/6-311++G** CHSF densities are on average three times more accurate than the conventional densities at hydrogen nuclei.

  8. Generalization of the Kohn-Sham system that can represent arbitrary one-electron density matrices

    SciTech Connect

    Hubertus J. J. van Dam

    2016-04-27

    Density functional theory is currently the most widely applied method in electronic structure theory. The Kohn-Sham method, based on a fictitious system of noninteracting particles, is the workhorse of the theory. The particular form of the Kohn-Sham wave function admits only idempotent one-electron density matrices whereas wave functions of correlated electrons in post-Hartree-Fock methods invariably have fractional occupation numbers. Here we show that by generalizing the orbital concept and introducing a suitable dot product as well as a probability density, a noninteracting system can be chosen that can represent the one-electron density matrix of any system, even one with fractional occupation numbers. This fictitious system ensures that the exact electron density is accessible within density functional theory. It can also serve as the basis for reduced density matrix functional theory. Moreover, to aid the analysis of the results the orbitals may be assigned energies from a mean-field Hamiltonian. This produces energy levels that are akin to Hartree-Fock orbital energies such that conventional analyses based on Koopmans' theorem are available. Lastly, this system is convenient in formalisms that depend on creation and annihilation operators as they are trivially applied to single-determinant wave functions.

  9. The COSMOS-[O II] survey: evolution of electron density with star formation rate

    NASA Astrophysics Data System (ADS)

    Kaasinen, Melanie; Bian, Fuyan; Groves, Brent; Kewley, Lisa J.; Gupta, Anshu

    2017-03-01

    Star-forming galaxies at z > 1 exhibit significantly different properties to local galaxies of equivalent stellar mass. Not only are high-redshift star-forming galaxies characterized by higher star formation rates and gas fractions than their local counterparts, they also appear to host star-forming regions with significantly different physical conditions, including greater electron densities. To understand what physical mechanisms are responsible for the observed evolution of the star-forming conditions, we have assembled the largest sample of star-forming galaxies at z ∼ 1.5 with emission-line measurements of the {[O II]}λ λ 3726,3729 doublet. By comparing our z ∼ 1.5 sample to local galaxy samples with equivalent distributions of stellar mass, star formation rate and specific star formation rate we investigate the proposed evolution in electron density and its dependence on global properties. We measure an average electron density of 114_{-27}^{+28} cm^{-3} for our z ∼ 1.5 sample, a factor of 5 greater than the typical electron density of local star-forming galaxies. However, we find no offset between the typical electron densities of local and high-redshift galaxies with equivalent star formation rates. Our work indicates that the average electron density of a sample is highly sensitive to the star formation rates, implying that the previously observed evolution is mainly the result of selection effects.

  10. The first in situ electron temperature and density measurements of the Martian nightside ionosphere

    NASA Astrophysics Data System (ADS)

    Fowler, C. M.; Andersson, L.; Ergun, R. E.; Morooka, M.; Delory, G.; Andrews, D. J.; Lillis, Robert J.; McEnulty, T.; Weber, T. D.; Chamandy, T. M.; Eriksson, A. I.; Mitchell, D. L.; Mazelle, C.; Jakosky, B. M.

    2015-11-01

    The first in situ nightside electron density and temperature profiles at Mars are presented as functions of altitude and local time (LT) from the Langmuir Probe and Waves (LPW) instrument on board the Mars Atmosphere and Volatile EvolutioN (MAVEN) mission spacecraft. LPW is able to measure densities as low as ˜100 cm-3, a factor of up to 10 or greater improvement over previous measurements. Above 200 km, near-vertical density profiles of a few hundred cubic centimeters were observed for almost all nightside LT, with the lowest densities and highest temperatures observed postmidnight. Density peaks of a few thousand cubic centimeters were observed below 200 km at all nightside LT. The lowest temperatures were observed below 180 km and approach the neutral atmospheric temperature. One-dimensional modeling demonstrates that precipitating electrons were able to sustain the observed nightside ionospheric densities below 200 km.

  11. Time-dependent density-functional tight-binding method with the third-order expansion of electron density

    SciTech Connect

    Nishimoto, Yoshio

    2015-09-07

    We develop a formalism for the calculation of excitation energies and excited state gradients for the self-consistent-charge density-functional tight-binding method with the third-order contributions of a Taylor series of the density functional theory energy with respect to the fluctuation of electron density (time-dependent density-functional tight-binding (TD-DFTB3)). The formulation of the excitation energy is based on the existing time-dependent density functional theory and the older TD-DFTB2 formulae. The analytical gradient is computed by solving Z-vector equations, and it requires one to calculate the third-order derivative of the total energy with respect to density matrix elements due to the inclusion of the third-order contributions. The comparison of adiabatic excitation energies for selected small and medium-size molecules using the TD-DFTB2 and TD-DFTB3 methods shows that the inclusion of the third-order contributions does not affect excitation energies significantly. A different set of parameters, which are optimized for DFTB3, slightly improves the prediction of adiabatic excitation energies statistically. The application of TD-DFTB for the prediction of absorption and fluorescence energies of cresyl violet demonstrates that TD-DFTB3 reproduced the experimental fluorescence energy quite well.

  12. Automated Determination of Electron Density from Electric Field Measurements on the Van Allen Probes Spacecraft

    NASA Astrophysics Data System (ADS)

    Zhelavskaya, I. S.; Spasojevic, M.; Shprits, Y.

    2015-12-01

    In this study we present an algorithm for automatic inference of the electron number density from plasma wave measurement made onboard NASA's Van Allen Probes mission. It accomplishes this by using feedforward neural networks to automatically infer the upper hybrid resonance frequency, 𝑓𝑢h𝑟, from plasma wave measurement, which is then used to determine the electron number density. In previous missions, the plasma resonance bands were manually identified, and there have been few attempts to do robust, routine automated detection (Kurth et al. [JGR, 2014]). We describe the design and implementation of the algorithm, as well as the resulting electron number density distribution. Resulting densities are compared with the densities obtained by Kurth et al. [JGR, 2014] and also to the empirical plasmasphere and trough density model of Sheeley et al. [JGR, 2001]. The analysis of the conditions, under which densities obtained by the proposed method differ significantly from the model of Sheeley et al. [JGR, 2001], is presented. Finally, we discuss the dependence of the electron number density on magnetic activity (Kp) and magnetic local time.

  13. Path Integrals for Electronic Densities, Reactivity Indices, and Localization Functions in Quantum Systems

    PubMed Central

    Putz, Mihai V.

    2009-01-01

    The density matrix theory, the ancestor of density functional theory, provides the immediate framework for Path Integral (PI) development, allowing the canonical density be extended for the many-electronic systems through the density functional closure relationship. Yet, the use of path integral formalism for electronic density prescription presents several advantages: assures the inner quantum mechanical description of the system by parameterized paths; averages the quantum fluctuations; behaves as the propagator for time-space evolution of quantum information; resembles Schrödinger equation; allows quantum statistical description of the system through partition function computing. In this framework, four levels of path integral formalism were presented: the Feynman quantum mechanical, the semiclassical, the Feynman-Kleinert effective classical, and the Fokker-Planck non-equilibrium ones. In each case the density matrix or/and the canonical density were rigorously defined and presented. The practical specializations for quantum free and harmonic motions, for statistical high and low temperature limits, the smearing justification for the Bohr’s quantum stability postulate with the paradigmatic Hydrogen atomic excursion, along the quantum chemical calculation of semiclassical electronegativity and hardness, of chemical action and Mulliken electronegativity, as well as by the Markovian generalizations of Becke-Edgecombe electronic focalization functions – all advocate for the reliability of assuming PI formalism of quantum mechanics as a versatile one, suited for analytically and/or computationally modeling of a variety of fundamental physical and chemical reactivity concepts characterizing the (density driving) many-electronic systems. PMID:20087467

  14. Path integrals for electronic densities, reactivity indices, and localization functions in quantum systems.

    PubMed

    Putz, Mihai V

    2009-11-10

    The density matrix theory, the ancestor of density functional theory, provides the immediate framework for Path Integral (PI) development, allowing the canonical density be extended for the many-electronic systems through the density functional closure relationship. Yet, the use of path integral formalism for electronic density prescription presents several advantages: assures the inner quantum mechanical description of the system by parameterized paths; averages the quantum fluctuations; behaves as the propagator for time-space evolution of quantum information; resembles Schrödinger equation; allows quantum statistical description of the system through partition function computing. In this framework, four levels of path integral formalism were presented: the Feynman quantum mechanical, the semiclassical, the Feynman-Kleinert effective classical, and the Fokker-Planck non-equilibrium ones. In each case the density matrix or/and the canonical density were rigorously defined and presented. The practical specializations for quantum free and harmonic motions, for statistical high and low temperature limits, the smearing justification for the Bohr's quantum stability postulate with the paradigmatic Hydrogen atomic excursion, along the quantum chemical calculation of semiclassical electronegativity and hardness, of chemical action and Mulliken electronegativity, as well as by the Markovian generalizations of Becke-Edgecombe electronic focalization functions - all advocate for the reliability of assuming PI formalism of quantum mechanics as a versatile one, suited for analytically and/or computationally modeling of a variety of fundamental physical and chemical reactivity concepts characterizing the (density driving) many-electronic systems.

  15. Electrical conductance of DNA molecules with varied density of itinerant pi electrons.

    PubMed

    Gao, Xu-Tuan; Fu, Xue; Mei, Liang-Mo; Xie, Shi-Jie

    2006-06-21

    The electrical transport of DNA is closely related to the density of itinerant pi electrons because of the strong electron-lattice interaction. The resistivities of two typical DNA molecules [poly(dG)-poly(dC) and lambda-DNA] with varied densities of itinerant pi electrons are calculated. It is found that the dependence of the resistivity on the density of itinerant pi electrons is symmetrical about the half-filling state of itinerant pi electrons in poly(dG)-poly(dC). At the half-filling state, the Peierls phase transition takes place and poly(dG)-poly(dC) has a large resistivity. When the density of itinerant pi electrons departs far from the half-filling state, the resistivity of poly(dG)-poly(dC) becomes small. For lambda-DNA, there is no Peierls phase transition due to the aperiodicity of its base pair arrangement. The resistivity of poly(dG)-poly(dC) decreases with increasing length of the molecular chain, but the resistivity of lambda-DNA increases with increasing length. The conducting mechanisms for poly(dG)-poly(dC) and a few lambda-DNA molecules with varied densities of itinerant pi electrons are analyzed.

  16. A new method for determining the plasma electron density using optical frequency comb interferometer

    SciTech Connect

    Arakawa, Hiroyuki Tojo, Hiroshi; Sasao, Hajime; Kawano, Yasunori; Itami, Kiyoshi

    2014-04-15

    A new method of plasma electron density measurement using interferometric phases (fractional fringes) of an optical frequency comb interferometer is proposed. Using the characteristics of the optical frequency comb laser, high density measurement can be achieved without fringe counting errors. Simulations show that the short wavelength and wide wavelength range of the laser source and low noise in interferometric phases measurements are effective to reduce ambiguity of measured density.

  17. Magnetic and charge structures in itinerant-electron magnets: Coexistence of multiple spin-density and charge-density waves

    NASA Astrophysics Data System (ADS)

    Ohkawa, Fusayoshi J.

    2002-06-01

    A theory of Kondo lattices is applied to studying possible magnetic and charge structures of itinerant-electron antiferromagnets. Even helical spin structures can be stabilized when the nesting of the Fermi surface is not sharp and the superexchange interaction, which arises from the virtual exchange of pair excitations across the Mott-Hubbard gap, is mainly responsible for magnetic instability. Sinusoidal spin structures or spin-density waves (SDW's) are only stabilized when the nesting of the Fermi surface is sharp enough or when an exchange interaction arising from that of pair excitations of quasiparticles is mainly responsible for magnetic instability. In particular, multiple SDW's are stabilized when their incommensurate ordering wave numbers +/-Q are multiple; magnetizations of different +/-Q components are orthogonal to each other in double and triple SDW's when magnetic anisotropy is weak enough. Unless +/-2Q are commensurate, charge-density waves (CDW's) with +/-2Q coexist with SDW's with +/-Q. Because the quenching of magnetic moments by the Kondo effect or local quantum spin fluctuations depends on local numbers of electrons, the phase of CDW's or electron densities is such that magnetic moments are large where the quenching is weak. It is proposed that the so-called stripe order must be the coexisting state of double incommensurate SDW's and CDW's in tetragonal cuprate-oxide high temperature superconductors, in particular, those with the square CuO2 lattices.

  18. Role of Density Gradient Driven Trapped Electron Modes in the H-Mode Inner Core with Electron Heating

    NASA Astrophysics Data System (ADS)

    Ernst, D.

    2015-11-01

    We present new experiments and nonlinear gyrokinetic simulations showing that density gradient driven TEM (DGTEM) turbulence dominates the inner core of H-Mode plasmas during strong electron heating. Thus α-heating may degrade inner core confinement in H-Mode plasmas with moderate density peaking. These DIII-D low torque quiescent H-mode experiments were designed to study DGTEM turbulence. Gyrokinetic simulations using GYRO (and GENE) closely match not only particle, energy, and momentum fluxes, but also density fluctuation spectra, with and without ECH. Adding 3.4 MW ECH doubles Te /Ti from 0.5 to 1.0, which halves the linear TEM critical density gradient, locally flattening the density profile. Density fluctuations from Doppler backscattering (DBS) intensify near ρ = 0.3 during ECH, displaying a band of coherent fluctuations with adjacent toroidal mode numbers. GYRO closely reproduces the DBS spectrum and its change in shape and intensity with ECH, identifying these as coherent TEMs. Prior to ECH, parallel flow shear lowers the effective nonlinear DGTEM critical density gradient 50%, but is negligible during ECH, when transport displays extreme stiffness in the density gradient. GS2 predictions show the DGTEM can be suppressed, to avoid degradation with electron heating, by broadening the current density profile to attain q0 >qmin > 1 . A related experiment in the same regime varied the electron temperature gradient in the outer half-radius (ρ ~ 0 . 65) using ECH, revealing spatially coherent 2D mode structures in the Te fluctuations measured by ECE imaging. Fourier analysis with modulated ECH finds a threshold in Te profile stiffness. Supported by the US DOE under DE-FC02-08ER54966 and DE-FC02-04ER54698.

  19. X-ray and electron scattering intensities of molecules calculated using density functional theory

    NASA Astrophysics Data System (ADS)

    Smith, Garry T.; Tripathi, Awadh N.; Smith, Vedene H.

    1999-05-01

    The elastic and total intensities for x-ray and high-energy electron scattering from the ten-electron hydride series has been calculated from Kohn-Sham orbitals using the BLYP, B3LYP and LSDA functionals, and compared to the previous Hartree-Fock and singles and doubles configuration interaction (SDCI) results of Wang [J. Wang, A. N. Tripathi, and V. H. Smith, Jr., J. Chem. Phys. 101, 4842 (1994)] in the same basis. In those cases where density functional theory (DFT) provides a significantly better electron density than Hartree-Fock, the pair density and hence total scattering intensity for x-rays is also better reproduced, especially in the low s region. The asymptotic behavior of the scattering curves from the DFT methods is poorer than Hartree-Fock due to the inability of DFT to reliably predict the density at the nucleus, the electron-electron distribution at zero-electron separation, and the second moment of the electron-electron distribution.

  20. Description of correlated densities for few-electron atoms by simple functional forms

    SciTech Connect

    Porras, I.; Arias de Saavedra, F.

    1999-02-20

    Simple analytical functional forms for the electron density of two- and three-electron atoms which reproduce fairly the correlated (exact) values are presented. The procedure is based on the fitting of an auxiliary f(r) function which has adequate properties for this purpose and can be extended to more complex atoms.

  1. Effect of the cluster integrals on three particles on the calculated electron density of a hydrogen plasma

    NASA Technical Reports Server (NTRS)

    Mcintyre, R. G.; Bruce, R. E.

    1974-01-01

    The effect of the calculation of the cluster integrals on three particles is analyzed and evaluated for a hydrogen plasma where a pairwise-additive hard sphere-Coulomb potential is assumed. The Mayer cluster integral method was used to calculate the Helmholtz free energy which was then applied to the calculation of the electron number density through an iterative technique using a corrected Saha equation. It is seen that the three particle integrals provide a substantial correction to the calculations in the low energy-high density region of the hydrogen plasma.

  2. Effect of the cluster integrals on three particles on the calculated electron density of a hydrogen plasma

    NASA Technical Reports Server (NTRS)

    Mcintyre, R. G.; Bruce, R. E.

    1974-01-01

    The effect of the calculation of the cluster integrals on three particles is analyzed and evaluated for a hydrogen plasma where a pairwise-additive hard sphere-Coulomb potential is assumed. The Mayer cluster integral method was used to calculate the Helmholtz free energy which was then applied to the calculation of the electron number density through an iterative technique using a corrected Saha equation. It is seen that the three particle integrals provide a substantial correction to the calculations in the low energy-high density region of the hydrogen plasma.

  3. Effect of q-nonextensive parameter and saturation time on electron density steepening in electron-positron-ion plasmas

    SciTech Connect

    Hashemzadeh, M.

    2015-11-15

    The effect of q-nonextensive parameter and saturation time on the electron density steepening in electron-positron-ion plasmas is studied by particle in cell method. Phase space diagrams show that the size of the holes, and consequently, the number of trapped particles strongly depends on the q-parameter and saturation time. Furthermore, the mechanism of the instability and exchange of energy between electron-positron and electric field is explained by the profiles of the energy density. Moreover, it is found that the q-parameter, saturation time, and electron and positron velocities affect the nonlinear evolution of the electron density which leads to the steepening of its structure. The q-nonextensive parameter or degree of nonextensivity is the relation between temperature gradient and potential energy of the system. Therefore, the deviation of q-parameter from unity indicates the degree of inhomogeneity of temperature or deviation from equilibrium. Finally, using the kinetic theory, a generalized q-dispersion relation is presented for electron-positron-ion plasma systems. It is found that the simulation results in the linear regime are in good agreement with the growth rate results obtained by the kinetic theory.

  4. Effect of q-nonextensive parameter and saturation time on electron density steepening in electron-positron-ion plasmas

    NASA Astrophysics Data System (ADS)

    Hashemzadeh, M.

    2015-11-01

    The effect of q-nonextensive parameter and saturation time on the electron density steepening in electron-positron-ion plasmas is studied by particle in cell method. Phase space diagrams show that the size of the holes, and consequently, the number of trapped particles strongly depends on the q-parameter and saturation time. Furthermore, the mechanism of the instability and exchange of energy between electron-positron and electric field is explained by the profiles of the energy density. Moreover, it is found that the q-parameter, saturation time, and electron and positron velocities affect the nonlinear evolution of the electron density which leads to the steepening of its structure. The q-nonextensive parameter or degree of nonextensivity is the relation between temperature gradient and potential energy of the system. Therefore, the deviation of q-parameter from unity indicates the degree of inhomogeneity of temperature or deviation from equilibrium. Finally, using the kinetic theory, a generalized q-dispersion relation is presented for electron-positron-ion plasma systems. It is found that the simulation results in the linear regime are in good agreement with the growth rate results obtained by the kinetic theory.

  5. Validation of Ionosonde Electron Density Reconstruction Algorithms with IONOLAB-RAY in Central Europe

    NASA Astrophysics Data System (ADS)

    Gok, Gokhan; Mosna, Zbysek; Arikan, Feza; Arikan, Orhan; Erdem, Esra

    2016-07-01

    Ionospheric observation is essentially accomplished by specialized radar systems called ionosondes. The time delay between the transmitted and received signals versus frequency is measured by the ionosondes and the received signals are processed to generate ionogram plots, which show the time delay or reflection height of signals with respect to transmitted frequency. The critical frequencies of ionospheric layers and virtual heights, that provide useful information about ionospheric structurecan be extracted from ionograms . Ionograms also indicate the amount of variability or disturbances in the ionosphere. With special inversion algorithms and tomographical methods, electron density profiles can also be estimated from the ionograms. Although structural pictures of ionosphere in the vertical direction can be observed from ionosonde measurements, some errors may arise due to inaccuracies that arise from signal propagation, modeling, data processing and tomographic reconstruction algorithms. Recently IONOLAB group (www.ionolab.org) developed a new algorithm for effective and accurate extraction of ionospheric parameters and reconstruction of electron density profile from ionograms. The electron density reconstruction algorithm applies advanced optimization techniques to calculate parameters of any existing analytical function which defines electron density with respect to height using ionogram measurement data. The process of reconstructing electron density with respect to height is known as the ionogram scaling or true height analysis. IONOLAB-RAY algorithm is a tool to investigate the propagation path and parameters of HF wave in the ionosphere. The algorithm models the wave propagation using ray representation under geometrical optics approximation. In the algorithm , the structural ionospheric characteristics arerepresented as realistically as possible including anisotropicity, inhomogenity and time dependence in 3-D voxel structure. The algorithm is also used

  6. Seasonal and temporal variability of the equatorial ionosphere with radio occultation electron density profiles from CHAMP

    NASA Astrophysics Data System (ADS)

    Cahoy, K.

    2007-12-01

    This work summarizes a portion of the more than two hundred thousand electron density profiles captured by the Challenging Mini-Satellite Payload for Geophysical Research (CHAMP, GFZ) from 2002-2006. The electron density profiles used in this work were processed by the Cosmic Data Analysis and Archival Center (CDAAC, UCAR) and released in July 2007. This recent release includes data not previously distributed by CDAAC, and nearly doubles the number of electron density profiles available through CDAAC. The local time of the electron density profiles varies throughout the solar day due to the geometry of the experiment (one ~400 km altitude near-polar orbiter with a ~90 minute period receives GPS signals until occulted by Earth). For a majority of the profiles, sampling occurs at two local times each day, separated by 12 hours, such that roughly every 120 days, the sampling local time repeats. The progression of local time with day of year for the CHAMP electron density profiles drives the selection of data subsets used in this multi-year study of electron density. The data are divided into local time windows from 06:00-10:00 (four hours before noon) and 22:00-02:00 (four hours near midnight). For the years 2002-2006, this yields twelve 60-day before-noon data subsets, and thirteen 60-day near-midnight data subsets. Each subset consists of roughly two thousand profiles. For each of these 25 data subsets, the electron density profiles are interpolated onto a global map with latitude and longitude, from 150-400 km altitude. The data are summarized both in terms of bulk trends as well as with focus on zonal structure. For example, the seasonal and interannual variability of the zonal mean equatorial electron density are presented, as well as a wave decomposition of the observed equatorial zonal structure at fixed altitudes, such that the possible effects of non-migrating tides on the ionosphere can be considered. The retrieved electron density profiles are sometimes

  7. Calculation of < p> and < p-1> from variational atomic electron densities

    NASA Astrophysics Data System (ADS)

    Glossman, M. Daniel; Castro, Eduardo A.

    1990-03-01

    Recently Pathak and Gadre discussed the relationship between the electron density ρ( r) and the expectation values < p> and < p-1>. In a previous work by the authors, the Thomas-Fermi-Dirac energy-density functional has been used to assess the effect of the modified Weizsäcker gradient expansion correction on ρ( r). In this paper, use is made of this electron density, and the effect of the gradient expansion correction on the expectation values < p> and < p-1> is assessed. Also the peak value of the Compton profile J(0) is calculated.

  8. Scalar relativistic all-electron density functional calculations on periodic systems

    NASA Astrophysics Data System (ADS)

    Peralta, Juan E.; Uddin, Jamal; Scuseria, Gustavo E.

    2005-02-01

    Scalar relativistic effects are included in periodic boundary conditions calculations with Gaussian orbitals. This approach is based on the third-order Douglas-Kroll-Hess approximation, allowing the treatment of all electrons on an equal footing. With this methodology, we are able to perform relativistic all-electron density functional calculations using the traditional local spin-density and generalized gradient approximations (GGA), as well as meta-GGA and hybrid density functionals. We present benchmark results for the bulk metals Pd, Ag, Pt, and Au, and the large band gap semiconductors AgF and AgCl.

  9. Charge Density Waves in the Electron-Hole Liquid in Coupled Quantum Wells

    NASA Astrophysics Data System (ADS)

    Babichenko, V. S.; Polishchuk, I. Ya.

    2017-02-01

    A many-component electron-hole plasma is considered in coupled quantum wells. The electrons and the holes are localized in the different wells. It is found in our previous works that the electron-hole liquid is the ground state of the system. In this paper it is shown that, as the separation between the wells increases, static charge density waves arise resulting in charge fluctuations which form a honeycomb lattice.

  10. Femtosecond laser high-efficiency drilling of high-aspect-ratio microholes based on free-electron-density adjustments.

    PubMed

    Jiang, Lan; Fang, Juqiang; Cao, Qiang; Zhang, Kaihu; Wang, Peng; Yu, Yanwu; Huang, Qiang; Lu, Yongfeng

    2014-11-01

    We studied the micromachining of high-aspect-ratio holes in poly(methylmethacrylate) using a visible double-pulse femtosecond laser based on free-electron-density adjustments. Hole depth and aspect ratio increased simultaneously upon decreasing the wavelength in the visible-light zone. When the pulse energy reached a high level, the free-electron density was adjusted by using a double-pulse laser, which induced fewer free electrons, a lower reflectivity plasma plume, and more pulse energy deposition in the solid bottom. Thus, the aspect ratio of the hole was improved considerably. At a moderate pulse energy level, a 1.3-1.4 times enhancement of both the ablation depth and the aspect ratio was observed when the double-pulse delay was set between 100 and 300 fs, probably due to an enhanced photon-electron coupling effect through adjusting the free-electron density. At a lower pulse energy level, this effect also induced the generation of a submicrometer string. In addition, the ablation rate was improved significantly by using visible double pulses.

  11. Rocket measurements of ion and electron densities in the D-region during sunrise.

    NASA Technical Reports Server (NTRS)

    Pedersen, A.; Kane, J. A.

    1971-01-01

    Results from two rockets launched near sunrise at White Sands, N. Mex., when positive ion and electron densities were measured in the D-region for solar zenith angles of 91 and 79 deg. The measurements cover the height range 80 to 110 km and complement previous vlf observations and rocket measurements of electron density. It is shown that the majority of negative ions in this height range are detached near to after ground sunrise. On the basis of these measurements it is possible to discuss electron affinity of negative ions and ion production functions during twilight.

  12. Dispersion relations of electron density fluctuations in a Hall thruster plasma, observed by collective light scattering

    SciTech Connect

    Tsikata, S.; Pisarev, V.; Gresillon, D. M.; Lemoine, N.

    2009-03-15

    Kinetic models and numerical simulations of E-vectorxB-vector plasma discharges predict microfluctuations at the scales of the electron cyclotron drift radius and the ion plasma frequency. With the help of a specially designed collective scattering device, the first experimental observations of small-scale electron density fluctuations inside the plasma volume are obtained, and observed in the expected ranges of spatial and time scales. The anisotropy, dispersion relations, form factor, amplitude, and spatial distribution of these electron density fluctuations are described and compared to theoretical expectations.

  13. Electron density magnification of the collective spin-orbit field in quantum wells

    NASA Astrophysics Data System (ADS)

    Baboux, F.; Perez, F.; Ullrich, C. A.; Karczewski, G.; Wojtowicz, T.

    2015-09-01

    The spin-orbit field acting on the spin waves of a spin-polarized electron gas is studied by inelastic light scattering on a CdMnTe quantum well. Above-barrier illumination allows us to vary the electronic density and control the collective Rashba and Dresselhaus coupling constants. We demonstrate that the enhancement between the single-particle and the collective spin-orbit field increases with increasing electronic density. This result is reproduced by a first-principles calculation. This behavior, which is opposite to usual Coulombic spin enhancements, reveals a novel aspect of the interplay of spin-orbit and Coulomb interactions in collective spin modes.

  14. Investigation of the Electronic Structure of Solid Density Plasmas by X-Ray Scattering

    SciTech Connect

    Gregori, G; Glenzer, S H; Forest, F J; Kuhlbrodt, S; Redmer, R; Faussurier, G; Blancard, C; Renaudin, P; Landen, O L

    2003-05-19

    We present an improved analytical expression for the x-ray dynamic structure factor from a dense plasma which includes the effects of weakly bound electrons. This result can be applied to describe scattering from low to moderate Z plasmas, and it covers the entire range of plasma conditions that can be found in inertial confinement fusion experiments, from ideal to degenerate up to moderately coupled systems. We use our theory to interpret x-ray scattering experiments from solid density carbon plasma and to extract accurate measurements of electron temperature, electron density and charge state. We use our experimental results to validate various equation-of-state models for carbon plasmas.

  15. Measurements of electron density and energy content in the VX-30 helicon discharge

    NASA Astrophysics Data System (ADS)

    Sciamma, Ella; Chavers, Greg; Chang-Diaz, Franklin

    2005-10-01

    We have observed plasma conditions at several locations in the VASIMR experiment, VX-30, a 20 kW helicon plasma expanding into a nozzle. - A three frequency interferometer (70, 90, 110 GHz) provided electron densities at these locations. - We made absolutely calibrated spectroscopic measurements of He I and He II lines in the UV, visible, and near IR. - A comparison with a collisional radiative model suggested that the actual electron density distribution function was not a Maxwellian, but rather was significantly underpopulated at higher electron energies. - We will present preliminary results comparing our measurements with a spectral model using a non Maxwellian distribution.

  16. Effect of the resonant growth of harmonics on the electron density in capacitively coupled plasma

    SciTech Connect

    Yamazawa, Yohei

    2009-11-09

    The growth of harmonics is known to occur under the condition of plasma series resonance (PSR). In an actual plasma process chamber, the external circuit also affects the PSR. We experimentally demonstrated the resonant growth of the third and fourth harmonics by tuning a variable capacitor attached to the electrode, and investigated the influence of the growth on the electron density. We observed significant increases in electron density as the amplitude of harmonics grows. The result clearly shows that nonlinear electron resonance heating actually takes place.

  17. Reorientation of the Stripe Phase of 2D Electrons by a Minute Density Modulation

    NASA Astrophysics Data System (ADS)

    Mueed, M. A.; Hossain, Md. Shafayat; Pfeiffer, L. N.; West, K. W.; Baldwin, K. W.; Shayegan, M.

    2016-08-01

    Interacting two-dimensional electrons confined in a GaAs quantum well exhibit isotropic transport when the Fermi level resides in the first excited (N =1 ) Landau level. Adding an in-plane magnetic field (B||) typically leads to an anisotropic, stripelike (nematic) phase of electrons with the stripes oriented perpendicular to the B|| direction. Our experimental data reveal how a periodic density modulation, induced by a surface strain grating from strips of negative electron-beam resist, competes against the B||-induced orientational order of the stripe phase. Even a minute (<0.25 %) density modulation is sufficient to reorient the stripes along the direction of the surface grating.

  18. Thermal imaging for assessment of electron-beam freeform fabrication (EBF3) additive manufacturing deposits

    NASA Astrophysics Data System (ADS)

    Zalameda, Joseph N.; Burke, Eric R.; Hafley, Robert A.; Taminger, Karen M.; Domack, Christopher S.; Brewer, Amy; Martin, Richard E.

    2013-05-01

    Additive manufacturing is a rapidly growing field where 3-dimensional parts can be produced layer by layer. NASA's electron beam freeform fabrication (EBF3) technology is being evaluated to manufacture metallic parts in a space environment. The benefits of EBF3 technology are weight savings to support space missions, rapid prototyping in a zero gravity environment, and improved vehicle readiness. The EBF3 system is composed of 3 main components: electron beam gun, multi-axis position system, and metallic wire feeder. The electron beam is used to melt the wire and the multi-axis positioning system is used to build the part layer by layer. To insure a quality deposit, a near infrared (NIR) camera is used to image the melt pool and solidification areas. This paper describes the calibration and application of a NIR camera for temperature measurement. In addition, image processing techniques are presented for deposit assessment metrics.

  19. The calculation of electron density profiles from topside ionograms: Method and applications

    NASA Technical Reports Server (NTRS)

    Lockwood, G. E. K.

    1972-01-01

    A method for converting topside sounder ionograms into topside electron density profiles is discussed. The lamination method used is modified to take into account the variation of electron density and magnetic field within each lamination. Also included is a change of variable to produce a finite integrand of the integral involved, an iteration scheme that permits convergence on an initially unknown density, a second iteration scheme to overcome the problem of an uncertainty in the electron density at the satellite, and a modification to compensate for the changing satellite altitude over the duration of the sounding. Two applications of the technique are discussed: field-aligned traces for computing field-aligned profiles and computer-aided systems for scaling ionograms.

  20. Analysis of hydrogen-bond interaction potentials from the electron density: integration of noncovalent interaction regions.

    PubMed

    Contreras-García, Julia; Yang, Weitao; Johnson, Erin R

    2011-11-17

    Hydrogen bonds are of crucial relevance to many problems in chemistry, biology, and materials science. The recently developed NCI (noncovalent interactions) index enables real-space visualization of both attractive (van der Waals and hydrogen-bonding) and repulsive (steric) interactions based on properties of the electron density. It is thus an optimal index to describe the interplay of stabilizing and destabilizing contributions that determine stable minima on hydrogen-bonding potential-energy surfaces (PESs). In the framework of density-functional theory, energetics are completely determined by the electron density. Consequently, NCI will be shown to allow quantitative treatment of hydrogen-bond energetics. The evolution of NCI regions along a PES follows a well-behaved pattern which, upon integration of the electron density, is capable of mimicking conventional hydrogen-bond interatomic potentials.

  1. Electron Temperature and Density Measurements by the Unicity of Particle Confinement Time on the TCABR Tokamak

    SciTech Connect

    Machida, M.; Nascimento, I. C.; Severo, J. H. F.; Sanada, E. K.; Galvao, R. M. O.; Daltrini, A. M.

    2006-12-04

    The electron temperature Te and density ne at inner border side of plasma on TCABR tokamak are determined using the unicity of particle confinement time {tau}p. In this method, the signals from hydrogen Balmer series emissions like H alfa, beta and gama are measured with an absolutely intensity calibrated spectrometer during the discharge and the particle confinement time then is evaluated using these three emissions for large range of electron temperature and density, until the unique value of {tau}p is achieved. The results show that during the current plateau, the values of the edge electron density and temperature in high fill density discharge, present much strong variations compared to the low fill pressure because of larger edge turbulence activity.

  2. To What Extent are "Atoms in Molecules" Structures of Hydrocarbons Reproducible from the Promolecule Electron Densities?

    PubMed

    Keyvani, Zahra Alimohammadi; Shahbazian, Shant; Zahedi, Mansour

    2016-03-24

    The "atoms in molecules" structures of 225 unsubstituted hydrocarbons are derived from both the optimized and the promolecule electron densities. A comparative analysis demonstrates that the molecular graphs derived from these two types of electron densities at the same geometry are equivalent for almost 90 % of the hydrocarbons containing the same number and types of critical points. For the remaining 10 % of molecules, it is demonstrated that by inducing small perturbations, through the variation of the used basis set or slight changes in the used geometry, the emerging molecular graphs from both densities are also equivalent. Interestingly, the (3, -1) critical point between two "non-bonded" hydrogen atoms, which triggered "H-H bonding" controversy is also observed in the promolecule densities of certain hydrocarbons. Evidently, the topology of the electron density is not dictated by chemical bonds or strong interactions and deformations induced by the interactions of atoms in molecules have a quite marginal role, virtually null, in shaping the general traits of the topology of molecular electron densities of the studied hydrocarbons, whereas the key factor is the underlying atomic densities. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. 36 CFR 1236.22 - What are the additional requirements for managing electronic mail records?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 36 Parks, Forests, and Public Property 3 2010-07-01 2010-07-01 false What are the additional requirements for managing electronic mail records? 1236.22 Section 1236.22 Parks, Forests, and Public Property... identifies addressees only by the name of a distribution list, retain the intelligent or full names...

  4. 36 CFR 1236.22 - What are the additional requirements for managing electronic mail records?

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 36 Parks, Forests, and Public Property 3 2011-07-01 2011-07-01 false What are the additional requirements for managing electronic mail records? 1236.22 Section 1236.22 Parks, Forests, and Public Property... identifies addressees only by the name of a distribution list, retain the intelligent or full names...

  5. Thermally-responsive, nonflammable phosphonium ionic liquid electrolytes for lithium metal batteries: operating at 100 degrees celsius† †Electronic supplementary information (ESI) available: Detailed ionic liquids synthesis, characterization, conductivity, cyclic voltammetry, battery cycling and those of other compositions; SEM images; energy density calculation. See DOI: 10.1039/c5sc01518a Click here for additional data file.

    PubMed Central

    Lin, X.; Kavian, R.; Lu, Y.; Hu, Q.; Shao-Horn, Y.

    2015-01-01

    Rechargeable batteries such as Li ion/Li metal batteries are widely used in the electronics market but the chemical instability of the electrolyte limits their use in more demanding environmental conditions such as in automotive, oil exploration, or mining applications. In this study, a series of alkyl phosphonium ionic liquid electrolyte are described with high thermal stability and solubility for LiTFSI. A lithium metal battery (LMB) containing a tailored phosphonium ionic liquid/LiTFSI electrolyte operates at 100 °C with good specific capacities and cycling stability. Substantial capacity is maintained during 70 cycles or 30 days. Instant on-off battery operation is realized via the significant temperature dependence of the electrolyte material, demonstrating the robustness and potential for use at high temperature. PMID:28757963

  6. Comparison study between coherent echoes at VHF range and electron density estimated by Ionosphere Model for Auroral Zone

    NASA Astrophysics Data System (ADS)

    Nishiyama, Takanori; Nakamura, Takuji; Tsutsumi, Masaki; Tanaka, Yoshi; Nishimura, Koji; Sato, Kaoru; Tomikawa, Yoshihiro; Kohma, Masashi

    2016-07-01

    Polar Mesosphere Winter Echo (PMWE) is known as back scatter echo from 55 to 85 km in the mesosphere, and it has been observed by MST and IS radar in polar region during non-summer period. Since density of free electrons as scatterer is low in the dark mesosphere during winter, it is suggested that PMWE requires strong ionization of neutral atmosphere associated with Energetic Particles Precipitations (EPPs) during Solar Proton Events [Kirkwood et al., 2002] or during geomagnetically disturbed periods [Nishiyama et al., 2015]. However, studies on relationship between occurrence of PMWE and background electron density has been limited yet [Lübken et al., 2006], partly because the PMWE occurrence rate is known to be quite low (2.9%) [Zeller et al., 2006]. The PANSY (Program of the Antarctic Syowa MST/IS) radar, which is the largest MST radar in Antarctica, observed many PMWE events since it has started mesosphere observations in June 2012. We established an application method of the PANSY radar as riometer, which makes it possible to estimate Cosmic Noise Absorptions (CNA) as proxy of relative variations on background electron density. In addition, electron density profiles from 60 to 150 km altitude are calculated by Ionospheric Model for the Auroral Zone (IMAZ) [McKinnell and Friedrich, 2007] and CNA estimated by the PANSY radar. In this presentation, we would like to focus on strong PMWE during two big geomagnetic storm events, St. Patrick's Day and the Summer Solstice 2015 Event, in order to compare observed PMWE characteristics to model background electron density. On March 19 and 22, recovery phase of St. Patrick's Day Storm, sudden PMWE intensification was detected near 60 km by the PANSY radar. At the same time, strong Cosmic Noise Absorptions (CNA) of 0.8 dB and 1.0 dB were measured, respectively. However, calculated electron density profiles did not show high electron density at the altitude where the PMWE intensification were observed. On June 22, the

  7. Exploring electron pair behaviour in chemical bonds using the extracule density.

    PubMed

    Proud, Adam J; Mackenzie, Dalton E C K; Pearson, Jason K

    2015-08-21

    We explore explicit electron pair behaviour within the chemical bond (and lone pairs) by calculating the probability distribution for the center-of-mass (extracule) of an electron pair described by single localized orbitals. Using Edmiston-Ruedenberg localized orbitals in a series of 61 chemical systems, we demonstrate the utility of the extracule density as an interpretive tool in chemistry. By accessing localized regions of chemical space we simplify the interpretation of the extracule density and afford a quantum mechanical interpretation of "chemically intuitive" features of electronic structure. Specifically, we describe the localized effects on chemical bonds due to changes in electronegativities of bonded neighbours, bond strain, and non-covalent interactions. We show that the extracule density offers unique insight into electronic structure and allows one to readily quantify the effects of changing the chemical environment.

  8. In-situ measurements of topside ionosphere electron density enhancements during an HF-modification experiment

    NASA Astrophysics Data System (ADS)

    Fallen, Christopher T.; Secan, James A.; Watkins, Brenton J.

    2011-04-01

    A Defense Meteorological Satellite Program (DMSP) satellite measured an electron density enhancement of approximately 30% at 840 km altitude on 25 February 2008 during an overpass of the High frequency Active Auroral Research Program (HAARP) research station in Alaska where ionosphere modification experiments were being conducted. An upward ion velocity enhancement of 200 m/s was also observed. Simulation results from a one-dimensional self-consistent ionosphere model indicate that topside electron density enhancements similar in magnitude to the observed enhancements at HAARP follow from electron temperature enhanced ambipolar diffusion, lifting atomic oxygen ions from the peak density layer along the geomagnetic field line up to the DMSP satellite orbit altitude. Assuming the HF pump heats the ionosphere electrons uniformly over a 10 km layer, the effective volume heating rate inferred from the model calculations is approximately 1 nW/m3.

  9. Quantum Electronic Stress: Density-Functional-Theory Formulation and Physical Manifestation

    NASA Astrophysics Data System (ADS)

    Hu, Hao; Liu, Miao; Wang, Z. F.; Zhu, Junyi; Wu, Dangxin; Ding, Hepeng; Liu, Zheng; Liu, Feng

    2012-08-01

    The concept of quantum electronic stress (QES) is introduced and formulated within density functional theory to elucidate extrinsic electronic effects on the stress state of solids and thin films in the absence of lattice strain. A formal expression of QES (σQE) is derived in relation to deformation potential of electronic states (Ξ) and variation of electron density (Δn), σQE=ΞΔn as a quantum analog of classical Hooke’s law. Two distinct QES manifestations are demonstrated quantitatively by density functional theory calculations: (1) in the form of bulk stress induced by charge carriers and (2) in the form of surface stress induced by quantum confinement. Implications of QES in some physical phenomena are discussed to underlie its importance.

  10. Quantum electronic stress: density-functional-theory formulation and physical manifestation.

    PubMed

    Hu, Hao; Liu, Miao; Wang, Z F; Zhu, Junyi; Wu, Dangxin; Ding, Hepeng; Liu, Zheng; Liu, Feng

    2012-08-03

    The concept of quantum electronic stress (QES) is introduced and formulated within density functional theory to elucidate extrinsic electronic effects on the stress state of solids and thin films in the absence of lattice strain. A formal expression of QES (σ(QE)) is derived in relation to deformation potential of electronic states (Ξ) and variation of electron density (Δn), σ(QE) = ΞΔn as a quantum analog of classical Hooke's law. Two distinct QES manifestations are demonstrated quantitatively by density functional theory calculations: (1) in the form of bulk stress induced by charge carriers and (2) in the form of surface stress induced by quantum confinement. Implications of QES in some physical phenomena are discussed to underlie its importance.

  11. Attosecond pumping of nonstationary electronic states of LiH: Charge shake-up and electron density distortion

    SciTech Connect

    Remacle, F.; Levine, R. D.

    2011-01-15

    Electronic reorganization during and after excitation by an intense ultrashort pulse is computed for LiH in a many-electron multireference time-dependent approach at a fixed nuclear geometry. The electronic dipole moment is used to probe the temporal response of the charge density. Above a field-strength threshold, there is an extensive Stark shifting and Rabi broadening of levels with corresponding distortion of the charge distribution whose response at strong fields is neither adiabatic nor diabatic. A nonresonant IR pulse is more effective in inducing charge shake-up during the pulse.

  12. A technique for routinely updating the ITU-R database using radio occultation electron density profiles

    NASA Astrophysics Data System (ADS)

    Brunini, Claudio; Azpilicueta, Francisco; Nava, Bruno

    2013-09-01

    Well credited and widely used ionospheric models, such as the International Reference Ionosphere or NeQuick, describe the variation of the electron density with height by means of a piecewise profile tied to the F2-peak parameters: the electron density,, and the height, . Accurate values of these parameters are crucial for retrieving reliable electron density estimations from those models. When direct measurements of these parameters are not available, the models compute the parameters using the so-called ITU-R database, which was established in the early 1960s. This paper presents a technique aimed at routinely updating the ITU-R database using radio occultation electron density profiles derived from GPS measurements gathered from low Earth orbit satellites. Before being used, these radio occultation profiles are validated by fitting to them an electron density model. A re-weighted Least Squares algorithm is used for down-weighting unreliable measurements (occasionally, entire profiles) and to retrieve and values—together with their error estimates—from the profiles. These values are used to monthly update the database, which consists of two sets of ITU-R-like coefficients that could easily be implemented in the IRI or NeQuick models. The technique was tested with radio occultation electron density profiles that are delivered to the community by the COSMIC/FORMOSAT-3 mission team. Tests were performed for solstices and equinoxes seasons in high and low-solar activity conditions. The global mean error of the resulting maps—estimated by the Least Squares technique—is between and elec/m for the F2-peak electron density (which is equivalent to 7 % of the value of the estimated parameter) and from 2.0 to 5.6 km for the height (2 %).

  13. The Recovery of the Density Scale Using a Stochastic Quasi-Realization of Additive Conjoint Measurement.

    ERIC Educational Resources Information Center

    Pelton, Timothy W.; Bunderson, C. Victor

    2003-01-01

    Attempted to illuminate practical limitations on the Rasch model by focusing on the recovery of the density scale through five simulation trials. Results show that when error distributions are insufficient, the results may be ordinal at best, and when error distributions are nonsymmetrical, the positions of items may be biased with respect to the…

  14. Validation of density functionals for transition metals and intermetallics using data from quantitative electron diffraction.

    PubMed

    Sang, Xiahan; Kulovits, Andreas; Wang, Guofeng; Wiezorek, Jörg

    2013-02-28

    Accurate low-order structure factors (Fg) measured by quantitative convergent beam electron diffraction (QCBED) were used for validation of different density functional theory (DFT) approximations. Twenty-three low-order Fg were measured for the transition metals Cr, Fe, Co, Ni, and Cu, and the transition metal based intermetallic phases γ-TiAl, β-NiAl, and γ1-FePd using a multi-beam off-zone axis QCBED method and then compared with Fg calculated by ab initio DFT using the local density approximation (LDA) and LDA + U, and different generalized gradient approximations (GGA) functionals. Different functionals perform very differently for different materials and crystal structures regarding prediction of low-order Fg. All the GGA functionals tested in the paper except for EV93 achieve good overall agreement with the experimentally determined low-order Fg for BCC Cr and Fe, while EV93 performs the best for FCC Ni and Cu. The LDA and GGA functional fail to predict accurately the low-order Fg for β-NiAl and γ1-FePd. The LDA + U approach, through tuning of U, can achieve excellent matches with the experimentally measured Fg for all the metallic systems investigated in this paper. The use of experimentally accessible low order Fg as an additional set of metrics in approaches of validation of DFT calculations is discussed and has potential to assist in and to stimulate development of improved functionals.

  15. Validation of density functionals for transition metals and intermetallics using data from quantitative electron diffraction

    NASA Astrophysics Data System (ADS)

    Sang, Xiahan; Kulovits, Andreas; Wang, Guofeng; Wiezorek, Jörg

    2013-02-01

    Accurate low-order structure factors (Fg) measured by quantitative convergent beam electron diffraction (QCBED) were used for validation of different density functional theory (DFT) approximations. Twenty-three low-order Fg were measured for the transition metals Cr, Fe, Co, Ni, and Cu, and the transition metal based intermetallic phases γ-TiAl, β-NiAl, and γ1-FePd using a multi-beam off-zone axis QCBED method and then compared with Fg calculated by ab initio DFT using the local density approximation (LDA) and LDA + U, and different generalized gradient approximations (GGA) functionals. Different functionals perform very differently for different materials and crystal structures regarding prediction of low-order Fg. All the GGA functionals tested in the paper except for EV93 achieve good overall agreement with the experimentally determined low-order Fg for BCC Cr and Fe, while EV93 performs the best for FCC Ni and Cu. The LDA and GGA functional fail to predict accurately the low-order Fg for β-NiAl and γ1-FePd. The LDA + U approach, through tuning of U, can achieve excellent matches with the experimentally measured Fg for all the metallic systems investigated in this paper. The use of experimentally accessible low order Fg as an additional set of metrics in approaches of validation of DFT calculations is discussed and has potential to assist in and to stimulate development of improved functionals.

  16. Photochemical response of the nighttime mesosphere to electric field heating—Onset of electron density enhancements

    NASA Astrophysics Data System (ADS)

    Kotovsky, D. A.; Moore, R. C.

    2016-05-01

    Onsets of electron density enhancements in the upper nighttime mesosphere produced by electric field heating of electrons are examined using a photochemical model that accounts for 29 dynamic species via a set of 156 reactions. Physical mechanisms are identified which result in electron density enhancements that continuously increase for up to several seconds after electric field heating, establishing the conditions under which early VLF scattering is either "fast" (<20 ms) or slower (>20 ms, including "slow," ≥500 ms). During heating, O- ions are produced by heterolysis, e- + O2 → e- + O- + O+, and dissociative attachment, e-+ O2 → O- + O. Following heating, a significant proportion of O- ions associatively detach with molecular oxygen, O- + O2 → O3 + e-, and atomic oxygen, O- + O → O2 + e-. If enough O- ions are produced during heating such that O- detachment exceeds electron loss (predominantly attachment, e- + O3 → O2- + O, and/or electron-ion recombination), electron densities will continue to increase after heating has ended. Consequently, the total risetime of electron density enhancements produced by electric field heating is controlled by the duration of the electric field heating and (in some cases) the effects of O- detachment following heating.

  17. Unequal density effect on static structure factor of coupled electron layers

    NASA Astrophysics Data System (ADS)

    Saini, L. K.; Nayak, Mukesh G.

    2014-04-01

    In order to understand the ordered phase, if any, in a real coupled electron layers (CEL), there is a need to take into account the effect of unequal layer density. Such phase is confirmed by a strong peak in a static structure factor. With the aid of quantum/dynamical version of Singwi, Tosi, Land and Sjölander (so-called qSTLS) approximation, we have calculated the intra- and interlayer static structure factors, Sll(q) and S12(q), over a wide range of density parameter rsl and interlayer spacing d. In our present study, the sharp peak in S22(q) has been found at critical density with sufficiently lower interlayer spacing. Further, to find the resultant effect of unequal density on intra- and interlayer static structure factors, we have compared our results with that of the recent CEL system with equal layer density and isolated single electron layer.

  18. Fourier-Legendre expansion of the one-electron density matrix of ground-state two-electron atoms

    NASA Astrophysics Data System (ADS)

    Ragot, Sébastien; Ruiz, María Belén

    2008-09-01

    The density matrix ρ(r,r') of a spherically symmetric system can be expanded as a Fourier-Legendre series of Legendre polynomials Pl(cosθ=rṡr'/rr'). Application is here made to harmonically trapped electron pairs (i.e., Moshinsky's and Hooke's atoms), for which exact wavefunctions are known, and to the helium atom, using a near-exact wavefunction. In the present approach, generic closed form expressions are derived for the series coefficients of ρ(r,r'). The series expansions are shown to converge rapidly in each case, with respect to both the electron number and the kinetic energy. In practice, a two-term expansion accounts for most of the correlation effects, so that the correlated density matrices of the atoms at issue are essentially a linear functions of Pl(cosθ)=cosθ. For example, in the case of Hooke's atom, a two-term expansion takes in 99.9% of the electrons and 99.6% of the kinetic energy. The correlated density matrices obtained are finally compared to their determinantal counterparts, using a simplified representation of the density matrix ρ(r,r'), suggested by the Legendre expansion. Interestingly, two-particle correlation is shown to impact the angular delocalization of each electron, in the one-particle space spanned by the r and r' variables.

  19. High precision electronic charge density determination for L10-ordered γ-TiAl by quantitative convergent beam electron diffraction

    NASA Astrophysics Data System (ADS)

    Sang, Xiahan; Kulovits, Andreas; Wang, Guofeng; Wiezorek, Jörg

    2012-12-01

    Low order structure and Debye-Waller (DW) factors for tetragonal L10-ordered γ-TiAl were measured simultaneously using quantitative convergent beam electron diffraction. The high precision and accuracy (largest error <0.5%) measurements allowed the construction of charge density difference maps from full sets of structure and DW factors, suitable for validation of first principles density functional theory (DFT) calculation results. Comparison of the experimentally determined charge density distribution with theoretical DFT predictions shows excellent qualitative agreement in this study. The three-dimensional charge density representations indicate a large electron charge localisation centred about the tetrahedral site at ¼, ¼, ¼, which is coordinated by two Ti atoms at 0, 0, 0 and ½, ½, 0 and two Al atoms at ½, 0, ½ and 0, ½, ½, respectively. Compared to experimental data, the DFT calculations based on full-potential linearised augmented plane wave (LAPW) method (implemented in WIEN2K) were found to quantitatively overestimate charge density between Ti-Ti second nearest neighbour atoms. Moreover, the results from the DFT method based on the projector-augmented wave (PAW) method and a plane wave basis set (implemented in VASP) were found to differ appreciably from both the experimental and LAPW-DFT results, implying that the PAW approach may not accurately describe the bonding in the intermetallic systems with 3 d electrons, such as γ-TiAl.

  20. Comparison of measured electron density rise and calculated neutral beam particle deposition in the TFTR tokamak

    SciTech Connect

    Park, H.; Budny, R.; McCune, D.; Taylor, G.; Zarnstorff, M.C. . Plasma Physics Lab.); Barnes, C.W. )

    1991-12-01

    The initial rate of rise of the central electron density during {approximately}100 keV deuterium neutral beam injection is found to agree well with calculations of the beam deposition rate. The best agreement is with beam deposition calculations using older tabulations of the atomic cross-sections; the effects of using new tabulations or including multi-step ionization processes appear to approximately cancel. The neutral-beam deposition profile is a strong function of both the magnitude and the shape of the target plasma density. Peaked heating profiles can be achieved at high target densities only from peaked target density profiles. 15 refs., 4 figs.

  1. LWS Investigation of Middle-Latitude Topside Ionospheric Vertical Electron-Density Profiles

    NASA Astrophysics Data System (ADS)

    Benson, R. F.; Grebowsky, J. M.; Webb, P. A.

    2005-05-01

    A Living With a Star (LWS) Targeted Research and Technology (TR&T) proposal has been selected to determine the dependence of the mid-latitude topside ionospheric electron-density (Ne) altitude distributions on long-term solar-cycle variations and short-term solar-wind and magnetic disturbances. The main focus is on Ne profiles from the height of the ionospheric Ne maximum to ~3,000 km as deduced from ISIS (International Satellites for Ionospheric Studies) topside-sounder data. These data, obtained over an 18-year time interval, can be used to investigate secular changes in the topside Ne profiles, which reflect altitude changes in plasma temperature and ion composition, over more than a solar cycle. In addition to providing average distributions the data, which extend from the O+ dominated high-altitude F region to the H+ dominated plasmasphere, provide a unique framework for delineating the altitude dependence of mid-latitude ionospheric structures associated with the plasmapause, plasmaspheric tails and Storm Enhanced Densities (SEDs). The approach used is to determine the locations of mid-latitude O+/H+ transition altitudes by fitting the topside Ne profiles with modeled H+ and O+ profiles that have the base electron temperature and temperature gradient at 400 km as variables. The investigation makes use of existing topside Ne profiles obtained from 1960's manual scaling of 35-mm film-format ionograms, available from ftp://nssdcftp.gsfc.nasa.gov/, and profiles deduced from digital topside ionograms available from http://nssdc.gsfc.nasa.gov/space/isis/isis-status.html.

  2. The experimental electron density in polymorphs A and B of the anti-ulcer drug famotidine.

    PubMed

    Overgaard, Jacob; Hibbs, David E

    2004-09-01

    Accurate structure factors have been measured for the two known conformational polymorphs (A and B) of famotidine up to a maximum resolution of sin(theta)/lambda = 1.2 A(-1) at 100 K using a conventional X-ray source and a CCD-based diffractometer. The experimental electron-density distribution was modelled using a multipole model and the interatomic interactions were analysed following the atoms-in-molecules theory. Excellent equivalence between most electronic and electrostatic properties in the polymorphs exists and no significant differences were found to exist across polymorphs either in the interatomic interactions (via the topological analysis) or in the atomic charges from integration of the atomic basins. Additional derived properties, such as the molecular dipole moment, similarly did not distinguish between the polymorphs. Only the molecular electrostatic potential mapped on top of the molecular surface, i.e. the isodensity contoured at 0.00675 e A(-3), was able to uncover the differences between A and B. In both conformations, the sizes of the electronegative and electropositive areas match. However, the average electrostatic potential in the electronegative area of A is -40 kJ mol(-1), while the corresponding value in B is -55 kJ mol(-1). Together with the physical shape and dimensions of A and B, this leads to a conclusion that the polymorphs are mutually exclusive at the same receptor binding site.

  3. Tomography Reconstruction of Ionospheric Electron Density with Empirical Orthonormal Functions Using Korea GNSS Network

    NASA Astrophysics Data System (ADS)

    Hong, Junseok; Kim, Yong Ha; Chung, Jong-Kyun; Ssessanga, Nicholas; Kwak, Young-Sil

    2017-03-01

    In South Korea, there are about 80 Global Positioning System (GPS) monitoring stations providing total electron content (TEC) every 10 min, which can be accessed through Korea Astronomy and Space Science Institute (KASI) for scientific use. We applied the computerized ionospheric tomography (CIT) algorithm to the TEC dataset from this GPS network for monitoring the regional ionosphere over South Korea. The algorithm utilizes multiplicative algebraic reconstruction technique (MART) with an initial condition of the latest International Reference Ionosphere-2016 model (IRI-2016). In order to reduce the number of unknown variables, the vertical profiles of electron density are expressed with a linear combination of empirical orthonormal functions (EOFs) that were derived from the IRI empirical profiles. Although the number of receiver sites is much smaller than that of Japan, the CIT algorithm yielded reasonable structure of the ionosphere over South Korea. We verified the CIT results with NmF2 from ionosondes in Icheon and Jeju and also with GPS TEC at the center of South Korea. In addition, the total time required for CIT calculation was only about 5 min, enabling the exploration of the vertical ionospheric structure in near real time.

  4. Electron-radiation effects on the ac and dc electrical properties and unpaired electron densities of three aerospace polymers

    NASA Technical Reports Server (NTRS)

    Long, Sheila Ann T.; Long, Edward R., Jr.; Ries, Heidi R.; Harries, Wynford L.

    1986-01-01

    The effects of gigarad-level total absorbed doses from 1-MeV electrons on the post-irradiation alternating-current (ac) and direct-current (dc) electrical properties and the unpaired electron densities have been studied for Kapton, Ultem, and Mylar. The unpaired electron densities (determined from electron paramagnetic resonance spectroscopy) and the dc electrical conductivities of the irradiated materials were monitored as functions of time following the exposures to determine their decay characteristics at room temperature. The elevated-temperature ac electrical dissipations of the Ultem and Mylar were affected by the radiation. The dc conductivity of the Kapton increased by five orders of magnitude, while the dc conductivities of the Ultem and Mylar increased by less than an order of magnitude, due to the radiation. The observed radiation-generated changes in the ac electrical dissipations are explained in terms of known radiation-generated changes in the molecular structures of the three materials. A preliminary model relating the dc electrical conductivity and the unpaired electron density in the Kapton is proposed.

  5. Dust charging and density conditions deduced from observations of PMWE modulated by artificial electron heating

    NASA Astrophysics Data System (ADS)

    Havnes, O.; La Hoz, C.; Rietveld, M. T.; Kassa, M.; Baroni, G.; Biebricher, A.

    2011-12-01

    We present an analysis of relatively strong Polar Mesospheric Winter Echoes (PMWE) under artificial electron heating that changes the PMWE intensity. A major purpose is to find reliable estimates of the relaxation time of the heater modified PMWE to their undisturbed state during the heater switch-off phase; the implications regarding charge/discharge mechanisms; and to exploit the diagnostic potential of artificial electron heating. The relaxation time is between 60 to 70 s for the regions with strong PMWE layers and substantial electron heating. This short relaxation time, related to the variation of charges on the nanometer dust which most likely is present in PMWE, rules out ion attachment as the mechanism to bring the dust charges to their equilibrium state. Neutral winds, sweeping the heated electrons out of the radar beam, are unlikely to be the cause of the observed relaxation, since this requires winds of around 100 m s-1. The most probable cause is photo detachment by which negatively charged dust can lose excess electrons by photon absorption with energies less than the dust material's work function. By comparing the observed heating with heating model profiles, the electron density at 65 km height must have been of the order of 3 × 109 m-3. This agrees with PMWE occurring mainly during disturbed conditions with high electron densities. Our results also indicate that in the strongest PMWE layers, electron bite-outs exist consistent with the role of charged dust particles in the mechanism of PMWE and implying larger dust densities.

  6. Early time evolution of negative ion clouds and electron density depletions produced during electron attachment chemical release experiments

    NASA Technical Reports Server (NTRS)

    Scales, W. A.; Bernhardt, P. A.; Ganguli, G.

    1994-01-01

    Two-dimensional electrostatic particle-in-cell simulations are used to study the early time evolution of electron depletions and negative ion clouds produced during electron attachment chemical releases in the ionosphere. The simulation model considers the evolution in the plane perpendicular to the magnetic field and a three-species plasma that contains electrons, positive ions, and also heavy negative ions that result as a by-product of the electron attachment reaction. The early time evolution (less than the negative ion cyclotron period) of the system shows that a negative charge surplus initially develops outside of the depletion boundary as the heavy negative ions move across the boundary. The electrons are initially restricted from moving into the depletion due to the magnetic field. An inhomogenous electric field develops across the boundary layer due to this charge separation. A highly sheared electron flow velocity develops in the depletion boundary due to E x B and Delta-N x B drifts that result from electron density gradients and this inhomogenous electric field. Structure eventually develops in the depletion boundary layer due to low-frequency electrostatic waves that have growth times shorter than the negative ion cyclotron period. It is proposed that these waves are most likely produced by the electron-ion hybrid instability that results from sufficiently large shears in the electron flow velocity.

  7. Early time evolution of negative ion clouds and electron density depletions produced during electron attachment chemical release experiments

    NASA Technical Reports Server (NTRS)

    Scales, W. A.; Bernhardt, P. A.; Ganguli, G.

    1994-01-01

    Two-dimensional electrostatic particle-in-cell simulations are used to study the early time evolution of electron depletions and negative ion clouds produced during electron attachment chemical releases in the ionosphere. The simulation model considers the evolution in the plane perpendicular to the magnetic field and a three-species plasma that contains electrons, positive ions, and also heavy negative ions that result as a by-product of the electron attachment reaction. The early time evolution (less than the negative ion cyclotron period) of the system shows that a negative charge surplus initially develops outside of the depletion boundary as the heavy negative ions move across the boundary. The electrons are initially restricted from moving into the depletion due to the magnetic field. An inhomogenous electric field develops across the boundary layer due to this charge separation. A highly sheared electron flow velocity develops in the depletion boundary due to E x B and Delta-N x B drifts that result from electron density gradients and this inhomogenous electric field. Structure eventually develops in the depletion boundary layer due to low-frequency electrostatic waves that have growth times shorter than the negative ion cyclotron period. It is proposed that these waves are most likely produced by the electron-ion hybrid instability that results from sufficiently large shears in the electron flow velocity.

  8. The electron localization as the information content of the conditional pair density

    NASA Astrophysics Data System (ADS)

    Urbina, Andres S.; Torres, F. Javier; Rincon, Luis

    2016-06-01

    In the present work, the information gained by an electron for "knowing" about the position of another electron with the same spin is calculated using the Kullback-Leibler divergence (DKL) between the same-spin conditional pair probability density and the marginal probability. DKL is proposed as an electron localization measurement, based on the observation that regions of the space with high information gain can be associated with strong correlated localized electrons. Taking into consideration the scaling of DKL with the number of σ-spin electrons of a system (Nσ), the quantity χ = (Nσ - 1) DKLfcut is introduced as a general descriptor that allows the quantification of the electron localization in the space. fcut is defined such that it goes smoothly to zero for negligible densities. χ is computed for a selection of atomic and molecular systems in order to test its capability to determine the region in space where electrons are localized. As a general conclusion, χ is able to explain the electron structure of molecules on the basis of chemical grounds with a high degree of success and to produce a clear differentiation of the localization of electrons that can be traced to the fluctuation in the average number of electrons in these regions.

  9. Extremely strong organic-metal oxide electronic coupling caused by nucleophilic addition reaction.

    PubMed

    Fujisawa, Jun-ichi; Hanaya, Minoru

    2015-07-07

    Electronic interactions between organic materials and inorganic semiconductors play important roles in various electronic and optoelectronic functions and also provide new functions such as optical interfacial charge-transfer (ICT) transitions having the following features. ICT transitions enable the capture of lower-energy photons than HOMO-LUMO gaps or band gaps and allow one-step charge separation without loss of energy. The hybrid material generated by the nucleophilic addition reaction between TiO2 and TCNQ exclusively exhibits strong ICT transitions. In this study, we report that strong organic-metal oxide electronic coupling is caused by the nucleophilic addition reaction, which enhances the ICT transitions. The electronic coupling between TiO2 and TCNQ occurs according to a two-step mechanism. First, the lowest unoccupied molecular orbital (LUMO (π*)) of TCNQ is elevated by the nucleophilic attack of a deprotonated hydroxy group on TiO2 to TCNQ and the electron distribution is moved toward TiO2. By this elevation and redistribution, the LUMO (π*) strongly interacts with the d(t2g) orbitals of a surface Ti atom. From avoided-crossing behavior with a large splitting energy of ca. 0.95 eV, the coupling energy was estimated to be as much as 0.5 eV in the mono-Ti model complex. This strong d-π* electronic coupling leads to strong coupling between complete ICT excited states and partial ICT excited states with a large splitting energy of ca. 0.92 eV, which considerably increases the probabilities of ICT transition. This study clarified the mechanisms of the strong organic-inorganic electronic coupling and the enhancement of ICT absorption in the TiO2-TCNQ hybrid material.

  10. Structural, elastic, electronic, and thermodynamic properties of MgAgSb investigated by density functional theory

    NASA Astrophysics Data System (ADS)

    Wang, Jun-Fei; Fu, Xiao-Nan; Zhang, Xiao-Dong; Wang, Jun-Tao; Li, Xiao-Dong; Jiang, Zhen-Yi

    2016-08-01

    The structural, elastic, electronic, and thermodynamic properties of thermoelectric material MgAgSb in γ,β,α phases are studied with first-principles calculations based on density functional theory. The optimized lattice constants accord well with the experimental data. According to the calculated total energy of the three phases, the phase transition order is determined from α to γ phase with cooling, which is in agreement with the experimental result. The physical properties such as elastic constants, bulk modulus, shear modulus, Young’s modulus, Poisson’s ratio, and anisotropy factor are also discussed and analyzed, which indicates that the three structures are mechanically stable and each has a ductile feature. The Debye temperature is deduced from the elastic properties. The total density of states (TDOS) and partial density of states (PDOS) of the three phases are investigated. The TDOS results show that the γ phase is most stable with a pseudogap near the Fermi level, and the PDOS analysis indicates that the conduction band of the three phases is composed mostly of Mg-3s, Ag-4d, and Sb-5p. In addition, the changes of the free energy, entropy, specific heat, thermal expansion of γ-MgAgSb with temperature are obtained successfully. The obtained results above are important parameters for further experimental and theoretical tuning of doped MgAgSb as a thermoelectric material at high temperature. Project supported by the National Natural Science Foundation of China (Grant No. 11504088), the Fund from Henan University of Technology, China (Grant Nos. 2014YWQN08 and 2013JCYJ12), the Natural Science Fund from the Henan Provincial Education Department, China (Grant No. 16A140027), the Natural Science Foundation of Shaanxi Province of China (Grant Nos. 2013JQ1018 and 15JK1759), and the Science Foundation of Northwest University of China (Grant No. 14NW23).

  11. Non-Parametric Approarch for Global Plasmaspheric Electron Density Tomography using the Characteristics of Whistler Waves

    NASA Astrophysics Data System (ADS)

    Goto, Y.; Kasahara, Y.; Sato, T.

    2005-12-01

    The Earth's plasmasphere is investigated not only for scientific interests but also for engineering applications since the plasmaspheric plasma cannot be ignored for high-precision navigation and positioning from artificial satellites. The electron density in the plasmasphere is generally observed from spacecraft because the ionosphere disturbs us from direct observations from the ground. In the present study, we introduce an estimation method of the plasmaspheric electron density profile using whistler waves which are one of the most familiar VLF waves observed from satellites in the plasmasphere. While the propagation characteristics of ducted whistlers were used to acquire the signature of the plasmasphere, those of non-ducted ones were rarely used because of their complexity. The propagation characteristics of non-ducted whistlers cannot be calculated analytically but numerically. Recent advancement of computer technology made it possible to trace a few million of ray paths in a short time, and the initial ray parameters at wave sources are easily translated into those at observation points, which are a simple mapping. The estimation method is based on a model fitting in which an non-parametric model is used to represent the electron density profile like computer tomography in order not to deform the information of observed wave data. The wave normal directions and the spectrums of whistlers can be theoretically calculated for a given electron density profile by ray tracing. Comparing these theoretical values with observed ones, an electron density profile which is consistent to a given wave parameter set is obtained.

  12. [Research on electron density in DC needle-plate corona discharge at atmospheric pressure].

    PubMed

    Liu, Zhi-Qiang; Guo, Wei; Liu, Tao-Tao; Wu, Wen-Shuo; Liu, Shu-Min

    2013-11-01

    Using needle-plate discharge device, corona discharge experiment was done in the atmosphere. Through photo of spot size of light-emitting area, the relationship between the voltage and thickness of corona layer was discussed. When the distance between tip and plate is fixed, the thickness of corona layer increases with the increase in voltage; when the voltage is fixed, the thickness of corona layer decreases with the increase in the distance between tip and plate. As spectral intensity of N2 (C3pi(u)) (337.1 nm)reflects high energy electron density, it was measured with emission spectrometry. The results show that high energy electron density is the biggest near the needle tip and the relationship between high energy electron density and voltage is basically linear increasing. Fixing voltage, high energy electron density decreases with the increase in the distance between tip and plate. When the voltage and the distance between tip and plate are fixed, the high energy electron density increases with the decrease in the curvature radius of needle tip. These results are of great importance for the study of plasma parameters of corona discharge.

  13. Developing an ANN electron density profile model over Cyprus based on ionosonde measurements

    NASA Astrophysics Data System (ADS)

    Haralambous, H.; Papadopoulos, Harris; Mostafa, Md. Golam

    2015-06-01

    The impact of the upper atmosphere on navigation, communication as well as surveillance systems is defined by the state of the ionosphere and in particular by variations in its electron density profile along the signal propagation path. The requirement for the accurate specification of the electron density profile stems from the fact that the electron density at each altitude determines the refractive index for radiowaves that are refracted by or penetrate the ionosphere and therefore affects significantly navigation and communication signals. Consequently satellite systems that are based on trans-ionospheric propagation may be affected by complex variations in the ionospheric structure in space and time leading to degradation of the availability, accuracy and reliability of their services. Therefore the specification of the electron density profile over a geographical region is very important within the context of operation of such systems. Although regional models have been developed for such a purpose by interpolating data coming from different instruments using various techniques, for a limited geographical scope, the single station model approach is the preferable option as it best encapsulates the behaviour of the ionosphere over the station. This paper presents the development of an Artificial Neural Network (ANN) model for the electron density profile of the ionosphere over Cyprus based on manually scaled ionograms collected at the Nicosia ionosonde station during the period 2009-2013.

  14. Absolute measurement of effective atomic number and electron density using dual-energy computed tomography images

    NASA Astrophysics Data System (ADS)

    Kim, Dae-Hong; Kim, Hee-Joung; Lee, Chang-Lae; Cho, Hyo-Min; Park, Hye-Suk; Lee, Seung-Wan; Choi, Yu-Na; Kim, Ye-Seul; Park, Su-Jin

    2012-03-01

    The dual-energy computed tomography (CT) techniques can be adopted to separate the materials having similar Houndsfield Unit (HU) value such as tissues. In the technique, CT image values can be described as effective atomic number and electron density using the dual-energy equation. In this work, we measured effective atomic number and electron density using dual-energy CT images and assessed the image quality in vascular application. For the effective atomic number assessment, the measurements of a Polymethyl methacrylate (PMMA) and water demonstrated small discrepancies of 3.28 % and 5.56 %, respectively. For electron density measurement, the experimental errors of PMMA and water were 7.83 % and 4.00 %, respectively. The trend obtained when comparing the HU values and absolute values such as effective atomic number and electron density demonstrates that the CNR of the HU values is higher than that of the absolute values such as effective atomic number and electron density. With contrast media having low concentration, it is remarkable that the effective atomic number image occasionally has higher CNR values than the HU images. In this study, small discrepancies between the experimental values and known values were obtained. The CNR values provided meaningful results for the absolute measurements in a dual-energy CT technique.

  15. Two-Dimensional Electron Density Measurement of Positive Streamer Discharge in Atmospheric-Pressure Air

    NASA Astrophysics Data System (ADS)

    Inada, Yuki; Ono, Ryo; Kumada, Akiko; Hidaka, Kunihiko; Maeyama, Mitsuaki

    2016-09-01

    The electron density of streamer discharges propagating in atmospheric-pressure air is crucially important for systematic understanding of the production mechanisms of reactive species utilized in wide ranging applications such as medical treatment, plasma-assisted ignition and combustion, ozone production and environmental pollutant processing. However, electron density measurement during the propagation of the atmospheric-pressure streamers is extremely difficult by using the conventional localized type measurement systems due to the streamer initiation jitters and the irreproducibility in the discharge paths. In order to overcome the difficulties, single-shot two-dimensional electron density measurement was conducted by using a Shack-Hartmann type laser wavefront sensor. The Shack-Hartmann sensor with a temporal resolution of 2 ns was applied to pulsed positive streamer discharges generated in an air gap between pin-to-plate electrodes. The electron density a few ns after the streamer initiation was 7*1021m-3 and uniformly distributed along the streamer channel. The electron density and its distribution profile were compared with a previous study simulating similar streamers, demonstrating good agreement. This work was supported in part by JKA and its promotion funds from KEIRIN RACE. The authors like to thank Mr. Kazuaki Ogura and Mr. Kaiho Aono of The University of Tokyo for their support during this work.

  16. Laser and Pulsed Power Electron Density Imaging Through Talbot-Lau X-ray Deflectometry

    NASA Astrophysics Data System (ADS)

    Valdivia Leiva, Maria Pia; Stutman, Dan; Stoeckl, Christian; Mileham, Chad; Begischev, Ildar; Theobald, Wolfgang; Bromage, Jake; Regan, Sean; Klein, Salee; Muñoz-Cordovez, Gonzalo; Vescovi, Milenko; Valenzuela-Villaseca, Vicente; Veloso, Felipe

    2016-10-01

    A Talbot-Lau X-ray Deflectometer was deployed using laser driven and x-pinch x-ray backlighters. The Talbot-Lau X-ray Deflectometer is an ideal electron density diagnostic for High Energy Density plasmas with the potential to simultaneously deliver x-ray refraction, attenuation, elemental composition, and scatter information from a single image with source limited resolution. Grating survival and electron density mapping was demonstrated for 10-29 J, 8-30 ps laser pulses using Cu foil targets at the Multi-TeraWatt facility. An areal electron density of 0.050 g/cm2 was obtained at the center of a fluoro-nylon fiber of 300 mm diameter with a source FWHM of 80 µm and resolution of 50 µm. Grating survival and Moiré pattern formation was demonstrated using a Cu x-pinch plasma of FWHM 27 µm, driven by the 350 kA, 350 ns Llampudken pulsed power generator. These results closely match simulations and laboratory results. It was demonstrated that the technique can detect both sharp and smooth density gradients in the range of 2x1023 to 2x1025 cm-3, thus allowing implementation of the electron density technique as a HED plasma diagnostic in both laser and pulsed power experiments U.S. DoE/NNSA and DE-NA0002955.

  17. Two-resonance probe for measuring electron density in low-pressure plasmas

    NASA Astrophysics Data System (ADS)

    Kim, D. W.; You, S. J.; Kim, S. J.; Kim, J. H.; Oh, W. Y.

    2017-04-01

    A technique for measuring double-checked electron density using two types of microwave resonance is presented. Simultaneous measurement of the resonances (plasma and quarter-wavelength resonator resonances), which were used for the cutoff probe (CP) and hairpin probe (HP), was achieved by the proposed microwave resonance probe. The developed two-resonance probe (TRP) consists of parallel separated coaxial cables exposing the radiation and detection tips. The structure resembles that of the CP, except the gapped coaxial cables operate not only as a microwave feeder for the CP but also as a U- shaped quarter-wavelength resonator for the HP. By virtue of this structure, the microwave resonances that have typically been used for measuring the electron density for the CP and HP were clearly identified on the microwave transmission spectrum of the TRP. The two types of resonances were measured experimentally under various power and pressure conditions for the plasma. A three-dimensional full-wave simulation model for the TRP is also presented and used to investigate and reproduce the resonances. The electron densities inferred from the resonances were compared and showed good agreement. Quantitative differences between the densities were attributed to the effects of the sheath width and spatial density gradient on the resonances. This accessible technique of using the TRP to obtain double-checked electron densities may be useful for comparative study and provides complementary uses for the CP and HP.

  18. A density-temperature description of the outer electron radiation belt during geomagnetic storms

    SciTech Connect

    Borovsky, Joseph E; Cayton, Thomas E; Denton, Michael H

    2009-01-01

    Electron flux measurements from 7 satellites in geosynchronous orbit from 1990-2007 are fit with relativistic bi-Maxwellians, yielding a number density n and temperature T description of the outer electron radiation belt. For 54.5 spacecraft years of measurements the median value ofn is 3.7x10-4 cm-3 and the median value ofT is 142 keY. General statistical properties of n, T, and the 1.1-1.5 MeV flux J are investigated, including local-time and solar-cycle dependencies. Using superposed-epoch analysis triggered on storm onset, the evolution of the outer electron radiation belt through high-speed-steam-driven storms is investigated. The number density decay during the calm before the storm is seen, relativistic-electron dropouts and recoveries from dropout are investigated, and the heating of the outer electron radiation belt during storms is examined. Using four different triggers (SSCs, southward-IMF CME sheaths, southward-IMF magnetic clouds, and minimum Dst), CME-driven storms are analyzed with superposed-epoch techniques. For CME-driven storms an absence of a density decay prior to storm onset is found, the compression of the outer electron radiation belt at time of SSC is analyzed, the number-density increase and temperature decrease during storm main phase is seen, and the increase in density and temperature during storm recovery phase is observed. Differences are found between the density-temperature and the flux descriptions, with more information for analysis being available in the density-temperature description.

  19. Effect of Powder Reuse Times on Additive Manufacturing of Ti-6Al-4V by Selective Electron Beam Melting

    NASA Astrophysics Data System (ADS)

    Tang, H. P.; Qian, M.; Liu, N.; Zhang, X. Z.; Yang, G. Y.; Wang, J.

    2015-03-01

    An advantage of the powder-bed-based metal additive manufacturing (AM) processes is that the powder can be reused. The powder reuse or recycling times directly affect the affordability of the additively manufactured parts, especially for the AM of titanium parts. This study examines the influence of powder reuse times on the characteristics of Ti-6Al-4V powder, including powder composition, particle size distribution (PSD), apparent density, tap density, flowability, and particle morphology. In addition, tensile samples were manufactured and evaluated with respect to powder reuse times and sample locations in the powder bed. The following findings were made from reusing the same batch of powder 21 times for AM by selective electron beam melting: (i) the oxygen (O) content increased progressively with increasing reuse times but both the Al content and the V content remained generally stable (a small decrease only); (ii) the powder became less spherical with increasing reuse times and some particles showed noticeable distortion and rough surfaces after being reused 16 times; (iii) the PSD became narrower and few satellite particles were observed after 11 times of reuse; (iv) reused powder showed improved flowability; and (v) reused powder showed no measurable undesired influence on the AM process and the samples exhibited highly consistent tensile properties, irrespective of their locations in the powder bed. The implications of these findings were discussed.

  20. Laser Thomson scattering measurements of electron temperature and density in a hall-effect plasma

    NASA Astrophysics Data System (ADS)

    Washeleski, Robert L.

    Hall-effect thrusters (HETs) are compact electric propulsion devices with high specific impulse used for a variety of space propulsion applications. HET technology is well developed but the electron properties in the discharge are not completely understood, mainly due to the difficulty involved in performing accurate measurements in the discharge. Measurements of electron temperature and density have been performed using electrostatic probes, but presence of the probes can significantly disrupt thruster operation, and thus alter the electron temperature and density. While fast-probe studies have expanded understanding of HET discharges, a non-invasive method of measuring the electron temperature and density in the plasma is highly desirable. An alternative to electrostatic probes is a non-perturbing laser diagnostic technique that measures Thomson scattering from the plasma. Thomson scattering is the process by which photons are elastically scattered from the free electrons in a plasma. Since the electrons have thermal energy their motion causes a Doppler shift in the scattered photons that is proportional to their velocity. Like electrostatic probes, laser Thomson scattering (LTS) can be used to determine the temperature and density of free electrons in the plasma. Since Thomson scattering measures the electron velocity distribution function directly no assumptions of the plasma conditions are required, allowing accurate measurements in anisotropic and non-Maxwellian plasmas. LTS requires a complicated measurement apparatus, but has the potential to provide accurate, non-perturbing measurements of electron temperature and density in HET discharges. In order to assess the feasibility of LTS diagnostics on HETs non-invasive measurements of electron temperature and density in the near-field plume of a Hall thruster were performed using a custom built laser Thomson scattering diagnostic. Laser measurements were processed using a maximum likelihood estimation method

  1. Electron density and temperature in NIO1 RF source operated in oxygen and argon

    NASA Astrophysics Data System (ADS)

    Barbisan, M.; Zaniol, B.; Cavenago, M.; Pasqualotto, R.; Serianni, G.; Zanini, M.

    2017-08-01

    The NIO1 experiment, built and operated at Consorzio RFX, hosts an RF negative ion source, from which it is possible to produce a beam of maximum 130 mA in H- ions, accelerated up to 60 kV. For the preliminary tests of the extraction system the source has been operated in oxygen, whose high electronegativity allows to reach useful levels of extracted beam current. The efficiency of negative ions extraction is strongly influenced by the electron density and temperature close to the Plasma Grid, i.e. the grid of the acceleration system which faces the source. To support the tests, these parameters have been measured by means of the Optical Emission Spectroscopy diagnostic. This technique has involved the use of an oxygen-argon mixture to produce the plasma in the source. The intensities of specific Ar I and Ar II lines have been measured along lines of sight close to the Plasma Grid, and have been interpreted with the ADAS package to get the desired information. This work will describe the diagnostic hardware, the analysis method and the measured values of electron density and temperature, as function of the main source parameters (RF power, pressure, bias voltage and magnetic filter field). The main results show that not only electron density but also electron temperature increase with RF power; both decrease with increasing magnetic filter field. Variations of source pressure and plasma grid bias voltage appear to affect only electron temperature and electron density, respectively.

  2. Measurements of the Electron Cloud Density in the PEP-II Low Energy Ring

    SciTech Connect

    Byrd, J.; De Santis, S.; Sonnad, K.; Caspers, F.; Kroyer, T.; Krasnykh, A.; Pivi, M.; /SLAC

    2012-04-10

    Clouds of low energy electrons in the vacuum beam pipes of accelerators of positively charged particle beams present a serious limitation for operation of these machines at high currents. Because of the size of these accelerators, it is difficult to probe the low energy electron clouds over substantial lengths of the beam pipe. We have developed a novel technique to directly measure the electron cloud density via the phase shift induced in a TE wave that is independently excited and transmitted over a section of the accelerator. We infer the absolute phase shift with relatively high accuracy from the phase modulation of the transmission due to the modulation of the electron cloud density from a gap in the positively charged beam. We have used this technique for the first time to measure the average electron cloud density over a 50 m straight section in the positron ring of the PEP-II collider at the Stanford Linear Accelerator Center. We have also measured the variation of the density by using low field solenoid magnets to control the electrons.

  3. Density and localized states' impact on amorphous carbon electron transport mechanisms

    NASA Astrophysics Data System (ADS)

    Caicedo-Dávila, S.; Lopez-Acevedo, O.; Velasco-Medina, J.; Avila, A.

    2016-12-01

    This work discusses the electron transport mechanisms that we obtained as a function of the density of amorphous carbon (a-C) ultra-thin films. We calculated the density of states (total and projected), degree of electronic states' localization, and transmission function using the density functional theory and nonequilibrium Green's functions method. We generated 25 sample a-C structures using ab-initio molecular dynamics within the isothermal-isobaric ensemble. We identified three transport regimes as a function of the density, varying from semimetallic in low-density samples ( ≤2.4 g/cm3) to thermally activated in high-density ( ≥2.9 g/cm3) tetrahedral a-C. The middle-range densities (2.4 g/cm3 ≤ρ≤ 2.9 g/cm3) are characterized by resonant tunneling and hopping transport. Our findings offer a different perspective from the tight-binding model proposed by Katkov and Bhattacharyya [J. Appl. Phys. 113, 183712 (2013)], and agree with experimental observations in low-dimensional carbon systems [see S. Bhattacharyya, Appl. Phys. Lett. 91, 21 (2007)]. Identifying transport regimes is crucial to the process of understanding and applying a-C thin film in electronic devices and electrode coating in biosensors.

  4. Decay of Bloch oscillations in the charge-density-wave ordered phase of an all electronic charge density wave state

    NASA Astrophysics Data System (ADS)

    Matveev, Oleg; Shvaika, Andrij; Devereaux, Thomas; Freericks, James

    The charge-density-wave phase of the Falicov-Kimball model displays a number of anomalous behavior including the appearance of subgap density of states as the temperature increases. These subgap states should have a significant impact on transport properties, particularly the nonlinear response of the system to a large dc electric field. Using the Kadanoff-Baym-Keldysh formalism, we employ nonequilibrium dynamical mean-field theory to exactly solve for this nonlinear response. We examine both the current and the order parameter of the conduction electrons as the ordered system is driven by a dc electric field. Institute for Condensed Matter Physics of the National Academy of Sciences of Ukraine, Lviv, Ukraine.

  5. Studies on D-A-π-A structured porphyrin sensitizers with different additional electron-withdrawing unit

    NASA Astrophysics Data System (ADS)

    Lu, Futai; Wang, Xuexiang; Zhao, Yanming; Yang, Guang; Zhang, Jie; Zhang, Bao; Feng, Yaqing

    2016-11-01

    The introduction of an additional acceptor to a typical donor-π bridge-acceptor (D-π-A) type porphyrin sensitizer results in a D-A-π-A featured porphyrin. Two porphyrins containing an additional acceptor with different electron-withdrawing abilities such as 2,3-diphenylquinoxaline (DPQ) for LP-11 and 2,1,3-benzothiadiazole (BTD) for LP-12 between the porphyrin core and the anchoring group have been synthesized for use as sensitizers in dye-sensitized solar cells (DSCs). Compared to LP-11, LP-12 with the stronger electron-withdrawing additional acceptor BTD possesses better light harvesting properties with regard to red-shifted Q-band absorption and a broader IPCE spectrum, resulting in a greater short circuit photocurrent density (Jsc) output. Interestingly, the steric hindrance of the DPQ group is favorable for suppressing dye aggregation, leading to a larger open-circuit voltage (Voc) value for LP-11-based cell. However, the loss in Voc of LP-12 is overcompensated by an improvement in Jsc. The optimized cell based on LP-12 achieves the better performance with a Jsc of 15.51 mA cm-2, a Voc of 674 mV, a fill factor (FF) of 0.7 and an overall power conversion efficiency (PCE) of 7.37% under standard AM 1.5 G irradiation. The findings provide a guidance for the future molecular design of highly efficient porphyrin sensitizers for use in DSCs.

  6. Properties of Inconel 625 Mesh Structures Grown by Electron Beam Additive Manufacturing

    SciTech Connect

    List III, Frederick Alyious; Dehoff, Ryan R; Lowe, Larry E; Sames, William J

    2014-01-01

    Relationships between electron beam parameters (beam current, beam speed, and beam focus) and physical properties (mass, diameter, elastic modulus, and yield strength) have been investigated for Inconel 625 mesh cubes fabricated using an additive manufacturing technology based on electron beam melting. The elastic modulus and yield strength of the mesh cubes have been systematically varied by approximately a factor of ten by changing the electron beam parameters. Simple models have been used to understand better these relationships. Structural anisotropies of the mesh associated with the layered build architecture have been observed and may contribute, along with microstructural anisotropies, to the anisotropic mechanical properties of the mesh. Knowledge of this kind is likely applicable to other metal and alloy systems and is essential to rapidly realize the full potential of this burgeoning technology.

  7. Spatially resolved measurements of ion density and electron temperature in a dual-frequency capacitively coupled plasma by complete floating double probe technique

    SciTech Connect

    Jiang Xiangzhan; Liu Yongxin; Yang Shuo; Lu Wenqi; Bi Zhenhua; Li Xiaosong; Wang Younian

    2011-01-15

    Spatially resolved measurements of the ion density and electron temperature in a dual-frequency capacitively coupled Ar discharge plasma are performed with a newly developed complete floating double probe. Axial and radial distributions of the ion density and electron temperature under various high-frequency (HF) power and gas pressure were studied in detail. Both the ion density and the electron temperature increased with increasing HF power. With increasing gas pressure from 1.3 to 9.3 Pa, the radial profile of ion density below the driven electrode experienced a change from ''bimodal'' to ''unimodal'' shape, with better uniformity being achieved at the optimal pressure of about 5 Pa. In addition, changing the axial profile of ion density was also observed with the peak shift toward the powered electrode at higher pressures. The measured results showed satisfying consistency with that of improved two dimensional fluid simulations.

  8. Effects of quantum confinement in nanoscale superconductors: From electronic density of states to vortex matter

    NASA Astrophysics Data System (ADS)

    Zhang, Lingfeng

    Due to quantum confinement, nanoscale superconductivity exhibits richer phenomena than bulk superconductivity. This will allow us to artificially design the electronic properties by changing the size and geometry of the superconductor, leading to the desired control and enhancement of superconductivity. However, the interplay between superconductivity and quantum confinement effect has not been fully understood yet. In this thesis, we theoretically investigated several aspects of nanoscale superconductivity by solving the Bogoliubov-de Gennes equations. The topics that are covered range from vortex states under the influence of quantum confinement to the electronic structure in various nano-structures. The density of states (DOS) obtained in this thesis can be compared with results from Scanning tunneling microscope (STM) experiments. In Chapter. 3 and 4, we studied vortex states under the influence of quantum confinement effect. We found that the shape resonances of the order parameter results in an additional contribution to quantum topological confinement - leading to unconventional vortex configurations. Our results reveal a plethora of asymmetric, giant multi-vortex, and vortex-antivortex structures. They are relevant for high-Tc nanograins, confined Bose-Einstein condensates, and graphene fakes with proximity-induced superconductivity. In Chapter. 5, we studied the effect of non-magnetic impurities in superconducting nanowires. We found that: 1) impurities strongly affect the transport properties, 2) the effect is impurity position-dependent, and 3) it exhibits opposite behavior for resonant and off-resonant wire widths due to the sub-band energy spectrum induced by lateral quantum confinement. These effects can be used to manipulate the Josephson current, filter electrons by subband. In Chapter. 6, we investigated the Tomasch effect on the electronic structure in nanoscale superconductors. Here it is the quasiparticle interference effect induced by an

  9. Temporal evolution of electron density and temperature in capillary discharge plasmas

    SciTech Connect

    Oh, Seong Y.; Kang, Hoonsoo; Uhm, Han S.; Lee, In W.; Suk, Hyyong

    2010-05-15

    Time-resolved spectroscopic measurements of a capillary discharge plasma of helium gas were carried out to obtain detailed information about dynamics of the discharge plasma column, where the fast plasma dynamics is determined by the electron density and temperature. Our measurements show that the electron density of the capillary plasma column increases sharply after gas breakdown and reaches its peak of the order of 10{sup 18} cm{sup -3} within less than 100 ns, and then it decreases as time goes by. The result indicates that a peak electron density of 2.3x10{sup 18} cm{sup -3} occurs about 65 ns after formation of the discharge current, which is ideal for laser wakefield acceleration experiments reported by Karsch et al. [New J. Phys. 9, 415 (2007)].

  10. Time-dependent density functional theory for many-electron systems interacting with cavity photons.

    PubMed

    Tokatly, I V

    2013-06-07

    Time-dependent (current) density functional theory for many-electron systems strongly coupled to quantized electromagnetic modes of a microcavity is proposed. It is shown that the electron-photon wave function is a unique functional of the electronic (current) density and the expectation values of photonic coordinates. The Kohn-Sham system is constructed, which allows us to calculate the above basic variables by solving self-consistent equations for noninteracting particles. We suggest possible approximations for the exchange-correlation potentials and discuss implications of this approach for the theory of open quantum systems. In particular we show that it naturally leads to time-dependent density functional theory for systems coupled to the Caldeira-Leggett bath.

  11. Propagation of terahertz waves in an atmospheric pressure microplasma with Epstein electron density profile

    SciTech Connect

    Yuan Chengxun; Zhou Zhongxiang; Zhang, Jingwen W.; Sun Hongguo; Wang He; Du Yanwei; Xiang Xiaoli

    2011-03-15

    Propagation properties of terahertz (THz) waves in a bounded atmospheric-pressure microplasma (AMP) are analyzed in this study. A modified Epstein profile model is used to simulate the electron density distribution caused by the plasma sheaths. By introducing the dielectric constant of a Drude-Lorentz model and using the method of dividing the plasma into a series of subslabs with uniform electron density, the coefficients of power reflection, transmission, and absorption are derived for a bounded microplasma structure. The effects of size of microplasma, electron density profile, and collision frequency on the propagation of THz waves are analyzed numerically. The results indicate that the propagation of THz waves in AMPs depend greatly on the above three parameters. It is demonstrated that the THz wave can play an important role in AMPs diagnostics; meanwhile, the AMP can be used as a novel potential tool to control THz wave propagation.

  12. Electron density in the intermediate heights for low latitude stations: observations and models

    NASA Astrophysics Data System (ADS)

    Mosert, M.; Radicella, S. M.; Adeniyi, J. O.; Ezquer, R. G.; Jadur, C.

    The electron density (NF1) and height (hF1) of the F1 inflection point measured at three low latitude ionosonde stations were compared with the parameters of the N170 point (electron density at 170 km) and with those predicted by the IRI model. The validity of the empirical equation proposed by Radicella and Mosert to predict the height hF1 was checked. Daytime electron density profiles from Ibadan, Ouagadougou and Tucumán covering different seasonal and solar activity conditions were used in the study. The results indicate that the two points are close together most of the time and that the Radicella-Mosert formula descrbies the data better than the current IRI model.

  13. Density distribution of high energy electrons in pulsed corona discharge of NO+N2 mixture.

    PubMed

    Wang, Wenchun; Liu, Feng; Zhang, Jialiang; Wang, Younian

    2003-12-01

    Emission spectroscopy of the high-voltage pulsed positive corona discharge in a line-cylinder reactor is used to investigate the high-energy electron density distribution in the discharge gap. The relative overall emission intensity spatial distribution profile of the A2Sigma+ --> X2Pi transition of NO is successfully recorded against a severe electromagnetic pulse interference coming from the corona discharge at one atmosphere. The spectroscopic investigation shows that the high-energy electron density in the discharge has a nonlinearly decline in the radial distribution. When varying the discharge voltage, the absolute emission intensity of NO is different but the radial distribution profile is similar. If an oxygen flow was introduced into the discharge reactor, the emission intensity of NO decreases tremendously and, therefore, the high-energy electron density decreases reasonably.

  14. An improved empirical formulation of an ionosphere bottomside electron density profile thickness parameter

    NASA Astrophysics Data System (ADS)

    Alazo-Cuartas, K.; Radicella, S. M.

    2017-10-01

    An improved empirical formulation for the characterization of the ;base point; of the bottomside ionospheric electron density profile is proposed. The ;base point; in an ionospheric layer is defined by the electron density profile height where the gradient dN/dh reaches a maximum. The difference between the height of the maximum electron density and the height of the ;base point; is proportional to the ionospheric F2 layer thickness parameter B2. The previous empirical formula links the maximum value of dN/dh to foF2 and M(3000)F2 scaled from the ionograms. The new formulation adds a dependence on the solar zenith angle. The use of the new equation improves substantially the calculation of the B2 thickness parameter used in the NeQuick model.

  15. Electron Density and S4 Index observed by FORMOSAT-3/COSMIC

    NASA Astrophysics Data System (ADS)

    Chen, S.; Liu, J. G.

    2010-12-01

    It has been known that the scintillation phenomenon is highly correlated with electron density gradient in the ionosphere. The six micro-satellites of the FORMOSAT-3/COSMIC (F3/C) in the low-Earth orbit are capable of monitoring the troposphere and ionosphere by using the powerful technique of radio occultation. With more than 6000 observations per day, it provides an excellent opportunity to probe three-dimensional structures of the S4 index and electron density. We examine diurnal, seasonal and geographical variations of simultaneous measurements of the ionospheric S4 index and electron density observed by GPS occultation experiment (GOX) onboard the F3/C in 2007-2009. Results and possible casuals are presented and discussed.

  16. Reassessment of the electron density in Cu2O using γ-ray diffraction.

    PubMed

    Jauch, Wolfgang; Reehuis, Manfred

    2014-12-01

    The electron-density distribution in Cu2O has been critically reexamined to test controversial conclusions from earlier experimental and theoretical studies. The electron density is derived via multipole refinement of high-quality single-crystal diffraction data, collected at room temperature with 316.5 keV gamma radiation. Four γ-lines in the energy range 200-600 keV have been used to extrapolate extinction-free low-order structure factors. The remaining extinction corrections refine to a crystal mosaicity identical to the observed one. There is no support for anharmonic contributions to the thermal parameters. Important features of the derived electron density are (i) a partially filled d_{z^2} orbital, (ii) an incomplete ionization of Cu and O, and (iii) no interstitial Cu-Cu charge pileup, thereby refuting the covalent bonding hypothesis.

  17. An efficient method for computing the QTAIM topology of a scalar field: the electron density case.

    PubMed

    Rodríguez, Juan I

    2013-03-30

    An efficient method for computing the quantum theory of atoms in molecules (QTAIM) topology of the electron density (or other scalar field) is presented. A modified Newton-Raphson algorithm was implemented for finding the critical points (CP) of the electron density. Bond paths were constructed with the second-order Runge-Kutta method. Vectorization of the present algorithm makes it to scale linearly with the system size. The parallel efficiency decreases with the number of processors (from 70% to 50%) with an average of 54%. The accuracy and performance of the method are demonstrated by computing the QTAIM topology of the electron density of a series of representative molecules. Our results show that our algorithm might allow to apply QTAIM analysis to large systems (carbon nanotubes, polymers, fullerenes) considered unreachable until now. Copyright © 2012 Wiley Periodicals, Inc.

  18. Gas temperature and electron density profiles in an argon dc microdischarge measured by optical emission spectroscopy

    SciTech Connect

    Belostotskiy, Sergey G.; Ouk, Tola; Donnelly, Vincent M.; Economou, Demetre J.; Sadeghi, Nader

    2010-03-15

    Optical emisssion spectroscopy was employed to study a high pressure (100 s of Torr), slot-type (600 {mu}m interelectrode gap), argon dc microdischarge, with added traces of nitrogen. Spatially resolved gas temperature profiles were obtained by analyzing rovibrational bands of the N{sub 2} first positive system. The gas temperature peaked near the cathode and increased with current. The contribution of Stark broadening to the hydrogen H{sub {beta}} emission lineshape was used to extract the electron density. The axial distribution of electron density as well as visual observation revealed that the microdischarge positive column was highly constricted. The electron density near the sheath edge increased with both pressure and current.

  19. Electron density and temperature diagnostics in laser-induced hydrogen plasma

    NASA Astrophysics Data System (ADS)

    Gautam, G.; Parigger, C. G.

    2017-02-01

    Laser-induced optical breakdown is achieved by using Q-switched, Nd:YAG radiation focused into ultra-high-purity (UHP) hydrogen gas at a pressure of 1.08 ± 0.03 × 105 Pa inside a cell. The plasma emission spectra are dispersed by a Czerny-Turner type spectrometer and detected with an intensified charge-coupled device (ICCD). Stark-broadened hydrogen Balmer series H α and Hβ line profiles are used as a spectroscopic tool for the determination of electron density and excitation temperature. Spatial variation of electron density and temperature at 0.40 µs are extracted from the recorded intensities of H α and Hβ lines. Temporal variations of electron density and excitation temperature are also presented for the time delay range of 0.15 µs to 1.4 µs.

  20. Temporal evolution of electron density and temperature in capillary discharge plasmas

    NASA Astrophysics Data System (ADS)

    Oh, Seong Y.; Uhm, Han S.; Kang, Hoonsoo; Lee, In W.; Suk, Hyyong

    2010-05-01

    Time-resolved spectroscopic measurements of a capillary discharge plasma of helium gas were carried out to obtain detailed information about dynamics of the discharge plasma column, where the fast plasma dynamics is determined by the electron density and temperature. Our measurements show that the electron density of the capillary plasma column increases sharply after gas breakdown and reaches its peak of the order of 1018 cm-3 within less than 100 ns, and then it decreases as time goes by. The result indicates that a peak electron density of 2.3×1018 cm-3 occurs about 65 ns after formation of the discharge current, which is ideal for laser wakefield acceleration experiments reported by Karsch et al. [New J. Phys. 9, 415 (2007)].