Density Functional Theory and Beyond for Band-Gap Screening: Performance for Transition-Metal Oxides and Dichalcogenides.

PubMed

Li, Wenqing; Walther, Christian F J; Kuc, Agnieszka; Heine, Thomas

2013-07-09

The performance of a wide variety of commonly used density functionals, as well as two screened hybrid functionals (HSE06 and TB-mBJ), on predicting electronic structures of a large class of en vogue materials, such as metal oxides, chalcogenides, and nitrides, is discussed in terms of band gaps, band structures, and projected electronic densities of states. Contrary to GGA, hybrid functionals and GGA+U, both HSE06 and TB-mBJ are able to predict band gaps with an appreciable accuracy of 25% and thus allow the screening of various classes of transition-metal-based compounds, i.e., mixed or doped materials, at modest computational cost. The calculated electronic structures are largely unaffected by the choice of basis functions and software implementation, however, might be subject to the treatment of the core electrons.

Three Dimensional High-Resolution Reconstruction of the Ionosphere Over the Very Large Array

DTIC Science & Technology

2010-12-15

Watts Progress Report, Dec 10; 1 Final Report: Three Dimensional High-Resolution Reconstruction of the Ionosphere over the Very Large Array...proposed research is reconstruct the three-dimensional regional electron density profile of Earth’s ionosphere with spatial resolution of better than 10 km...10x better sensitivity to total electron content (TEC, or chord integrated density) in the ionosphere that does GPS. The proposal funds the

Diagnostics of a large-scale irregularity in the electron density near the boundary of the radio transparency frequency range of the ionosphere

NASA Astrophysics Data System (ADS)

Afanasiev, N. T.; Markov, V. P.

2011-08-01

Approximate functional relationships for the calculation of a disturbed transionogram with a trace deformation caused by the influence of a large-scale irregularity in the electron density are obtained. Numerical and asymptotic modeling of disturbed transionograms at various positions of a spacecraft relative to a ground-based observation point is performed. A possibility of the determination of the intensity and dimensions of a single large-scale irregularity near the boundary of the radio transparency frequency range of the ionosphere is demonstrated.

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

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

Ruiz Ruiz, J.; White, A. E.; Ren, Y.

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 ismore » 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.« less

Gold-film coating assisted femtosecond laser fabrication of large-area, uniform periodic surface structures.

PubMed

Feng, Pin; Jiang, Lan; Li, Xin; Rong, Wenlong; Zhang, Kaihu; Cao, Qiang

2015-02-20

A simple, repeatable approach is proposed to fabricate large-area, uniform periodic surface structures by a femtosecond laser. 20 nm gold films are coated on semiconductor surfaces on which large-area, uniform structures are fabricated. In the case study of silicon, cross-links and broken structures of laser induced periodic surface structures (LIPSSs) are significantly reduced on Au-coated silicon. The good consistency between the scanning lines facilitates the formation of large-area, uniform LIPSSs. The diffusion of hot electrons in the Au films increases the interfacial carrier densities, which significantly enhances interfacial electron-phonon coupling. High and uniform electron density suppresses the influence of defects on the silicon and further makes the coupling field more uniform and thus reduces the impact of laser energy fluctuations, which homogenizes and stabilizes large-area LIPSSs.

Large-scale variation of electron parameters from Quasi-Thermal Noise during WIND perigees in the Earth's magnetosphere

NASA Astrophysics Data System (ADS)

Issautier, Karine; Ongala-Edoumou, Samuel; Moncuquet, Michel

2016-04-01

The quasi-thermal noise (QTN) method consists in measuring the electrostatic fluctuations produced by the thermal motion of the ambient particles. This noise is detected with a sensitive wave receiver and measured at the terminal of a passive electric antenna, which is immersed in a stable plasma. The analysis of the so-called QTN provides in situ measurements, mainly the total electron density, with a good accuracy, and thermal temperature in a large number of space media. We create a preliminary electron database to analyse the anti-correlation between electron density and temperature deduced from WIND perigees in the Earth's plasmasphere. We analyse the radio power spectra measured by the Thermal Noise Receiver (TNR), using the 100-m long dipole antenna, onboard WIND spacecraft. We develop a systematic routine to determine the electron density, core and halo temperature and the magnitude of the magnetic field based on QTN in Bernstein modes. Indeed, the spectra are weakly banded between gyroharmonics below the upper hybrid frequency, from which we derive the local electron density. From the gyrofrequency determination, we obtain an independent measure of the magnetic field magnitude, which is in close agreement with the onboard magnetometer.

Observations of the electron density perturbation in the cusp irregularities during the ICI-2 campaign

NASA Astrophysics Data System (ADS)

Abe, Takumi; Moen, J. I.

The ICI-2 (Investigation of Cusp Irregularities-2) sounding rocket campaign was conducted in Svalbard, Norway on December 2008. The scientific objective of ICI-2 is to investigate genera-tion mechanism(s) of coherent HF radar backscatter targets. Strong coherent HF backscatter echoes are well-known phenomena in the polar ionospheric cusp, and are thought to result from field-aligned plasma irregularities with decameter scale length. However, the generation mech-anism of backscatter targets has not yet been understood, and even the altitude profile of HF cusp backscatter is unknown. The ICI-2 rocket was launched at 10:35:10 UT at Ny-˚lesund, A and reached an apogee of 330 km at about 5 minutes after the launch. All onboard systems functioned flawlessly. A comprehensive measurement of the electron density, low energy elec-tron flux, medium energy particle flux, AC and DC electric fields was conducted to exploit the potential role of the gradient drift instability versus the other suggested mechanisms. We present a result obtained from a Fixed-Biased Probe (FBP) which was aimed at measuring fine-scale (< 1 m) electron density perturbation. Our analysis of the FBP data during the rocket's flight indicates that the rocket traversed HF backscatter regions where the electron density perturbation is relatively large. The power spectrum analysis of the electron density shows that the amplitude increases not only in the decameter wavelength but also in the broad range of frequency. Characteristic features of the electron density perturbation are summarized as follows: 1) A strong perturbation of the electron density was observed by the FBP when the ICI-2 rocket passed through a front side of the poleward moving 630 nm emission region which was identified by the all-sky imager. This means that the electron density perturbation and the 630 nm emission are observed to coexist in the same region. 2) The absolute value of the electron density becomes larger in the disturbed region than in the surrounding region. The electron density gradient in the boundary with the outer region is larger in the equatorward side than in the poleward side. 3) The amplitude of the electron density perturbation is remarkably large in the equatorward edge rather than the poleward boundaries. 4) The FBP identified the electron density perturbation at three different altitudes during the rocket flight. This indicates that the perturbation likely exists not only within the narrow limits but in a larger extent in the vertical direction.

A simulation study of radial expansion of an electron beam injected into an ionospheric plasma

NASA Technical Reports Server (NTRS)

Koga, J.; Lin, C. S.

1994-01-01

Injections of nonrelativistic electron beams from a finite equipotential conductor into an ionospheric plasma have been simulated using a two-dimensional electrostatic particle code. The purpose of the study is to survey the simulation parameters for understanding the dependence of beam radius on physical variables. The conductor is charged to a high potential when the background plasma density is less than the beam density. Beam electrons attracted by the charged conductor are decelerated to zero velocity near the stagnation point, which is at a few Debye lengths from the conductor. The simulations suggest that the beam electrons at the stagnation point receive a large transverse kick and the beam expands radially thereafter. The buildup of beam electrons at the stagnation point produces a large electrostatic force responsible for the transverse kick. However, for the weak charging cases where the background plasma density is larger than the beam density, the radial expansion mechanism is different; the beam plasma instability is found to be responsible for the radial expansion. The simulations show that the electron beam radius for high spacecraft charging cases is of the order of the beam gyroradius, defined as the beam velocity divided by the gyrofrequency. In the weak charging cases, the beam radius is only a fraction of the beam gyroradius. The parameter survey indicates that the beam radius increases with beam density and decreases with magnetic field and beam velocity. The beam radius normalized by the beam gyroradius is found to scale according to the ratio of the beam electron Debye length to the ambient electron Debye length. The parameter dependence deduced would be useful for interpreting the beam radius and beam density of electron beam injection experiments conducted from rockets and the space shuttle.

Thermo-Electron Ballistic Coolers or Heaters

NASA Technical Reports Server (NTRS)

Choi, Sang H.

2003-01-01

Electronic heat-transfer devices of a proposed type would exploit some of the quantum-wire-like, pseudo-superconducting properties of single-wall carbon nanotubes or, optionally, room-temperature-superconducting polymers (RTSPs). The devices are denoted thermo-electron ballistic (TEB) coolers or heaters because one of the properties that they exploit is the totally or nearly ballistic (dissipation or scattering free) transport of electrons. This property is observed in RTSPs and carbon nanotubes that are free of material and geometric defects, except under conditions in which oscillatory electron motions become coupled with vibrations of the nanotubes. Another relevant property is the high number density of electrons passing through carbon nanotubes -- sufficient to sustain electron current densities as large as 100 MA/square cm. The combination of ballistic motion and large current density should make it possible for TEB devices to operate at low applied potentials while pumping heat at rates several orders of magnitude greater than those of thermoelectric devices. It may also enable them to operate with efficiency close to the Carnot limit. In addition, the proposed TEB devices are expected to operate over a wider temperature range

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.

A tunable electron beam source using trapping of electrons in a density down-ramp in laser wakefield acceleration.

PubMed

Ekerfelt, Henrik; Hansson, Martin; Gallardo González, Isabel; Davoine, Xavier; Lundh, Olle

2017-09-25

One challenge in the development of laser wakefield accelerators is to demonstrate sufficient control and reproducibility of the parameters of the generated bunches of accelerated electrons. Here we report on a numerical study, where we demonstrate that trapping using density down-ramps allows for tuning of several electron bunch parameters by varying the properties of the density down-ramp. We show that the electron bunch length is determined by the difference in density before and after the ramp. Furthermore, the transverse emittance of the bunch is controlled by the steepness of the ramp. Finally, the amount of trapped charge depends both on the density difference and on the steepness of the ramp. We emphasize that both parameters of the density ramp are feasible to vary experimentally. We therefore conclude that this tunable electron accelerator makes it suitable for a wide range of applications, from those requiring short pulse length and low emittance, such as the free-electron lasers, to those requiring high-charge, large-emittance bunches to maximize betatron X-ray generation.

Plasma response to m/n  =  3/1 resonant magnetic perturbation at J-TEXT Tokamak

NASA Astrophysics Data System (ADS)

Hu, Qiming; Li, Jianchao; Wang, Nengchao; Yu, Q.; Chen, Jie; Cheng, Zhifeng; Chen, Zhipeng; Ding, Yonghua; Jin, Hai; Li, Da; Li, Mao; Liu, Yang; Rao, Bo; Zhu, Lizhi; Zhuang, Ge; the J-TEXT Team

2016-09-01

The influence of resonant magnetic perturbations (RMPs) with a large m/n  =  3/1 component on electron density has been studied at J-TEXT tokamak by using externally applied static and rotating RMPs, where m and n are the poloidal and toroidal mode number, respectively. The detailed time evolution of electron density profile, measured by the polarimeter-interferometer, shows that the electron density n e first increases (decreases) inside (around/outside) of the 3/1 rational surface (RS), and it is increased globally later together with enhanced edge recycling. Associated with field penetration, the toroidal rotation around the 3/1 RS is accelerated in the co-I p direction and the poloidal rotation is changed from the electron to ion diamagnetic drift direction. Spontaneous unlocking-penetration circles occur after field penetration if the RMPs amplitude is not strong enough. For sufficiently strong RMPs, the 2/1 locked mode is also triggered due to mode coupling, and the global density is increased. The field penetration threshold is found to be linearly proportional to n eL (line-integrated density) at the 3/1 RS but to (n eL)0.73 for n e at the plasma core. In addition, for rotating RMPs with a large 3/1 component, field penetration causes a global increase in electron density.

Simulation of electron energy loss spectra of nanomaterials with linear-scaling density functional theory

DOE PAGES

Tait, E. W.; Ratcliff, L. E.; Payne, M. C.; ...

2016-04-20

Experimental techniques for electron energy loss spectroscopy (EELS) combine high energy resolution with high spatial resolution. They are therefore powerful tools for investigating the local electronic structure of complex systems such as nanostructures, interfaces and even individual defects. Interpretation of experimental electron energy loss spectra is often challenging and can require theoretical modelling of candidate structures, which themselves may be large and complex, beyond the capabilities of traditional cubic-scaling density functional theory. In this work, we present functionality to compute electron energy loss spectra within the onetep linear-scaling density functional theory code. We first demonstrate that simulated spectra agree withmore » those computed using conventional plane wave pseudopotential methods to a high degree of precision. The ability of onetep to tackle large problems is then exploited to investigate convergence of spectra with respect to supercell size. As a result, we apply the novel functionality to a study of the electron energy loss spectra of defects on the (1 0 1) surface of an anatase slab and determine concentrations of defects which might be experimentally detectable.« less

Relativistic electron plasma oscillations in an inhomogeneous ion background

NASA Astrophysics Data System (ADS)

Karmakar, Mithun; Maity, Chandan; Chakrabarti, Nikhil

2018-06-01

The combined effect of relativistic electron mass variation and background ion inhomogeneity on the phase mixing process of large amplitude electron oscillations in cold plasmas have been analyzed by using Lagrangian coordinates. An inhomogeneity in the ion density is assumed to be time-independent but spatially periodic, and a periodic perturbation in the electron density is considered as well. An approximate space-time dependent solution is obtained in the weakly-relativistic limit by employing the Bogolyubov and Krylov method of averaging. It is shown that the phase mixing process of relativistically corrected electron oscillations is strongly influenced by the presence of a pre-existing ion density ripple in the plasma background.

Density-functional theory simulation of large quantum dots

NASA Astrophysics Data System (ADS)

Jiang, Hong; Baranger, Harold U.; Yang, Weitao

2003-10-01

Kohn-Sham spin-density functional theory provides an efficient and accurate model to study electron-electron interaction effects in quantum dots, but its application to large systems is a challenge. Here an efficient method for the simulation of quantum dots using density-function theory is developed; it includes the particle-in-the-box representation of the Kohn-Sham orbitals, an efficient conjugate-gradient method to directly minimize the total energy, a Fourier convolution approach for the calculation of the Hartree potential, and a simplified multigrid technique to accelerate the convergence. We test the methodology in a two-dimensional model system and show that numerical studies of large quantum dots with several hundred electrons become computationally affordable. In the noninteracting limit, the classical dynamics of the system we study can be continuously varied from integrable to fully chaotic. The qualitative difference in the noninteracting classical dynamics has an effect on the quantum properties of the interacting system: integrable classical dynamics leads to higher-spin states and a broader distribution of spacing between Coulomb blockade peaks.

Self-consistent many-electron theory of electron work functions and surface potential characteristics for selected metals

NASA Technical Reports Server (NTRS)

Smith, J. R.

1969-01-01

Electron work functions, surface potentials, and electron number density distributions and electric fields in the surface region of 26 metals were calculated from first principles within the free electron model. Calculation proceeded from an expression of the total energy as a functional of the electron number density, including exchange and correlation energies, as well as a first inhomogeneity term. The self-consistent solution was obtained via a variational procedure. Surface barriers were due principally to many-body effects; dipole barriers were small only for some alkali metals, becoming quite large for the transition metals. Surface energies were inadequately described by this model, which neglects atomistic effects. Reasonable results were obtained for electron work functions and surface potential characteristics, maximum electron densities varying by a factor of over 60.

Origin of the 20-electron structure of Mg3 MnH7 : Density functional calculations

NASA Astrophysics Data System (ADS)

Gupta, M.; Singh, D. J.; Gupta, R.

2005-03-01

The electronic structure and stability of the 20-electron complex hydride, Mg3MnH7 is studied using density functional calculations. The heat of formation is larger in magnitude than that of MgH2 . The deviation from the 18-electron rule is explained by the predominantly ionic character of the band structure and a large crystal-field splitting of the Mn d bands. In particular, each H provides one deep band accomodating two electrons, while the Mn t2g bands hold an additional six electrons per formula unit.

Imaging of the outer valence orbitals of CO by electron momentum spectroscopy — Comparison with high level MRSD-CI and DFT calculations

NASA Astrophysics Data System (ADS)

Fan, X. W.; Chen, X. J.; Zhou, S. J.; Zheng, Y.; Brion, C. E.; Frey, R.; Davidson, E. R.

1997-09-01

A newly constructed energy dispersive multichannel electron momentum spectrometer has been used to image the electron density of the outer valence orbitals of CO with high precision. Binding energy spectra are obtained at a coincidence energy resolution of 1.2 eV fwhm. The measured electron density profiles in momentum space for the outer valence orbitals of CO are compared with cross sections calculated using SCF wavefunctions with basis sets of varying complexity up to near-Hartree-Fock limit in quality. The effects of correlation and electronic relaxation on the calculated momentum profiles are investigated using large MRSD-CI calculations of the full ion-neutral overlap distributions, as well as large basis set DFT calculations with local and non-local (gradient corrected) functionals.

Hall effect within the colossal magnetoresistive semimetallic state of MoTe2

NASA Astrophysics Data System (ADS)

Zhou, Qiong; Rhodes, D.; Zhang, Q. R.; Tang, S.; Schönemann, R.; Balicas, L.

2016-09-01

Here, we report a systematic study on the Hall effect of the semimetallic state of bulk MoTe2, which was recently claimed to be a candidate for a novel type of Weyl semimetallic state. The temperature (T ) dependence of the carrier densities and of their mobilities, as estimated from a numerical analysis based on the isotropic two-carrier model, indicates that its exceedingly large and nonsaturating magnetoresistance may be attributed to a near perfect compensation between the densities of electrons and holes at low temperatures. A sudden increase in hole density, with a concomitant rapid increase in the electron mobility below T ˜40 K, leads to comparable densities of electrons and holes at low temperatures suggesting a possible electronic phase transition around this temperature.

Van Allen Probes observations of structured whistler mode activity and coincident electron Landau acceleration inside a remnant plasmaspheric plume

NASA Astrophysics Data System (ADS)

Woodroffe, J. R.; Jordanova, V. K.; Funsten, H. O.; Streltsov, A. V.; Bengtson, M. T.; Kletzing, C. A.; Wygant, J. R.; Thaller, S. A.; Breneman, A. W.

2017-03-01

We present observations from the Van Allen Probes spacecraft that identify a region of intense whistler mode activity within a large density enhancement outside of the plasmasphere. We speculate that this density enhancement is part of a remnant plasmaspheric plume, with the observed wave being driven by a weakly anisotropic electron injection that drifted into the plume and became nonlinearly unstable to whistler emission. Particle measurements indicate that a significant fraction of thermal (<100 eV) electrons within the plume were subject to Landau acceleration by these waves, an effect that is naturally explained by whistler emission within a gradient and high-density ducting inside a density enhancement.

Production of a large, quiescent, magnetized plasma

NASA Technical Reports Server (NTRS)

Landt, D. L.; Ajmera, R. C.

1976-01-01

An experimental device is described which produces a large homogeneous quiescent magnetized plasma. In this device, the plasma is created in an evacuated brass cylinder by ionizing collisions between electrons emitted from a large-diameter electron gun and argon atoms in the chamber. Typical experimentally measured values of the electron temperature and density are presented which were obtained with a glass-insulated planar Langmuir probe. It is noted that the present device facilitates the study of phenomena such as waves and diffusion in magnetized plasmas.

Herschel Galactic Plane Survey of [NII] Fine Structure Emission

NASA Astrophysics Data System (ADS)

Goldsmith, Paul F.; Yıldız, Umut A.; Langer, William D.; Pineda, Jorge L.

2015-12-01

We present the first large-scale high angular resolution survey of ionized nitrogen in the Galactic Plane through emission of its two fine structure transitions ([N ii]) at 122 and 205 μm. The observations were largely obtained with the PACS instrument onboard the Herschel Space Observatory. The lines of sight were in the Galactic plane, following those of the Herschel OTKP project GOT C+. Both lines are reliably detected at the 10-8-10-7 Wm-2 sr-1 level over the range -60° ≤ l ≤ 60°. The rms of the intensity among the 25 PACS spaxels of a given pointing is typically less than one third of the mean intensity, showing that the emission is extended. [N ii] is produced in gas in which hydrogen is ionized, and collisional excitation is by electrons. The ratio of the two fine structure transitions provides a direct measurement of the electron density, yielding n(e) largely in the range 10-50 cm-3 with an average value of 29 cm-3 and N+ column densities 1016-1017 cm-2. [N ii] emission is highly correlated with that of [C ii], and we calculate that between 1/3 and 1/2 of the [C ii] emission is associated with the ionized gas. The relatively high electron densities indicate that the source of the [N ii] emission is not the warm ionized medium (WIM), which has electron densities more than 100 times smaller. Possible origins of the observed [N ii] include the ionized surfaces of dense atomic and molecular clouds, the extended low-density envelopes of H ii regions, and low-filling factor high-density fluctuations of the WIM.

Applications of large-scale density functional theory in biology

NASA Astrophysics Data System (ADS)

Cole, Daniel J.; Hine, Nicholas D. M.

2016-10-01

Density functional theory (DFT) has become a routine tool for the computation of electronic structure in the physics, materials and chemistry fields. Yet the application of traditional DFT to problems in the biological sciences is hindered, to a large extent, by the unfavourable scaling of the computational effort with system size. Here, we review some of the major software and functionality advances that enable insightful electronic structure calculations to be performed on systems comprising many thousands of atoms. We describe some of the early applications of large-scale DFT to the computation of the electronic properties and structure of biomolecules, as well as to paradigmatic problems in enzymology, metalloproteins, photosynthesis and computer-aided drug design. With this review, we hope to demonstrate that first principles modelling of biological structure-function relationships are approaching a reality.

Using Phase Space Density Profiles to Investigate the Radiation Belt Seed Population

NASA Astrophysics Data System (ADS)

Boyd, A. J.; Spence, H.; Reeves, G. D.; Blake, J. B.; Fennell, J. F.; Claudepierre, S. G.; Turner, D. L.

2013-12-01

It is believed that particles with energies of 100s of keV play a critical role in the acceleration of electrons within the radiation belt. Through wave particle interactions, these so called 'seed electrons' can be accelerated up to energies greater than 1 MeV. Using data from the MagEIS (Magnetic Electron Ion Spectrometer) Instrument onboard the Van Allen Probes we calculate phase space density within the radiation belts over a wide range of mu and K values. These phase space density profiles are combined with those from THEMIS, in order to see how the phase space density evolves over a large range of L*. In this presentation we examine how the seed electron population evolves in both time and L* during acceleration events. Comparing this to the evolution of the higher mu electron population allows us to determine what role the seed electrons played in the acceleration process. Finally, we compare several of these storms to examine the importance of the seed population to the acceleration process.

Development of a large-area planar surface-wave plasma source with a cavity launcher driven by a 915 MHz UHF wave

NASA Astrophysics Data System (ADS)

Chang, Xijiang; Kunii, Kazuki; Liang, Rongqing; Nagatsu, Masaaki

2013-04-01

A large-area planar surface-wave plasma (SWP) source driven by a 915 MHz ultrahigh frequency (UHF) wave was developed. To avoid using large, thick dielectric plates as vacuum windows, we propose a cavity launcher consisting of a cylindrical cavity with several small quartz discs at the bottom. Three types of launchers with quartz discs located at different positions were tested to compare their plasma production efficiencies and spatial distributions of electron density. With the optimum launcher, large-area plasma discharges with a radial uniformity within ±10% were obtained in a radius of about 25-30 cm in Ar gas at 8 Pa for incident power in the range 0.5-2.5 kW. The maximum electron density and temperature were approximately (0.95-1.1) × 1011 cm-3 and 1.9-2.0 eV, respectively, as measured by a Langmuir probe located 24 cm below the bottom of the cavity launcher. Using an Ar/NH3 SWP with the optimum launcher, we demonstrated large-area amino-group surface modification of polyurethane sheets. Experimental results indicated that a uniform amino-group modification was achieved over a radius of approximately 40 cm, which is slightly larger than the radial uniformity of the electron density distribution.

Unusual chemical compositions of noctilucent-cloud particle nuclei

NASA Technical Reports Server (NTRS)

Hemenway, C. L.

1973-01-01

Two sounding rocket payloads were launched from the ESRO range in Sweden during a noctilucent cloud display. Large numbers of submicron particles were collected, most of which appear to be made up of a high density material coated with a low density material. Typical electron micrographs are shown. Particle chemical compositions have been measured by use of dispersive X-ray analysis equipment attached to an electron microscope and have revealed that most of the high density particle nuclei have atomic weights greater than iron.

Physics based model of D-region variability related to VLF propagation effects

NASA Astrophysics Data System (ADS)

Chakravarty, S. C.

2012-07-01

D-region (~60-85 km) electron density profiles measured using large number of sounding rocket experiments carried out from two Indian low latitude stations show large variations with solar zenith angle, season and solar activity. Similarly the ground based multi frequency radio wave absorption technique has provided continuous data on the morphology of the hourly electron density variations. However suitable models of the D-region electron density profile variations both during quiet and disturbed solar conditions over the Indian region are lacking. The renewed interest in the study of the VLF/LF propagation anomalies taking place through perturbations in the D-region electron densities due to various geophysical phenomena requires the availability of a baseline D-region model over low latitudes. The purpose of this paper is to critically review the physical processes of D-region production and loss of free electrons, dynamical coupling due to variety of vertically propagating atmospheric waves, sudden changes brought about by the solar energetic events like CMEs and different categories of X-ray flares. Low latitude region is not likely to be affected by the PMSE or PCA type of events but the changes due to lightning induced mesospheric red sprites and LEPs need to be considered. Based on this analysis, a preliminary low latitude D-region electron density profile model development is proposed. Sample results would illustrate key requirements from such a model in terms of its effectiveness to simulate the low latitude observations of VLF/LF amplitude and phase variations using waveguide propagation models like LWPC.

3D electron density distributions in the solar corona during solar minima: assessment for more realistic solar wind modeling

NASA Astrophysics Data System (ADS)

de Patoul, J.; Foullon, C.; Riley, P.

2015-12-01

Knowledge of the electron density distribution in the solar corona put constraints on the magnetic field configurations for coronal modeling, and on initial conditions for solar wind modeling. We work with polarized SOHO/LASCO-C2 images from the last two recent minima of solar activity (1996-1997 and 2008-2010), devoid of coronal mass ejections. We derive the 4D electron density distributions in the corona by applying a newly developed time-dependent tomographic reconstruction method. First we compare the density distributions obtained from tomography with magnetohydrodynamic (MHD) solutions. The tomography provides more accurate distributions of electron densities in the polar regions, and we find that the observed density varies with the solar cycle in both polar and equatorial regions. Second, we find that the highest-density structures do not always correspond to the predicted large-scale heliospheric current sheet or its helmet streamer but can follow the locations of pseudo-streamers. We conclude that tomography offers reliable density distribution in the corona, reproducing the slow time evolution of coronal structures, without prior knowledge of the coronal magnetic field over a full rotation. Finally, we suggest that the highest-density structures show a differential rotation well above the surface depending on how it is magnetically connected to the surface. Such valuable information on the rotation of large-scale structures could help to connect the sources of the solar wind to their in-situ counterparts in future missions such as Solar Orbiter and Solar Probe Plus. This research combined with the MHD coronal modeling efforts has the potential to increase the reliability for future space weather forecasting.

2D electron density profile measurement in tokamak by laser-accelerated ion-beam probe.

PubMed

Chen, Y H; Yang, X Y; Lin, C; Wang, L; Xu, M; Wang, X G; Xiao, C J

2014-11-01

A new concept of Heavy Ion Beam Probe (HIBP) diagnostic has been proposed, of which the key is to replace the electrostatic accelerator of traditional HIBP by a laser-driven ion accelerator. Due to the large energy spread of ions, the laser-accelerated HIBP can measure the two-dimensional (2D) electron density profile of tokamak plasma. In a preliminary simulation, a 2D density profile was reconstructed with a spatial resolution of about 2 cm, and with the error below 15% in the core region. Diagnostics of 2D density fluctuation is also discussed.

Extremely large magnetoresistance and high-density Dirac-like fermions in ZrB2

NASA Astrophysics Data System (ADS)

Wang, Qi; Guo, Peng-Jie; Sun, Shanshan; Li, Chenghe; Liu, Kai; Lu, Zhong-Yi; Lei, Hechang

2018-05-01

We report the detailed study on transport properties of ZrB2 single crystal, a predicted topological nodal-line semimetal. ZrB2 exhibits extremely large magnetoresistance as well as field-induced resistivity upturn and plateau. These behaviors can be well understood by the two-band model with the perfect electron-hole compensation and high carrier mobilities. More importantly, the electrons with small effective masses and nontrivial Berry phase have significantly high density when compared to those in known topological semimetals. It strongly suggests that ZrB2 hosts Dirac-like nodal-line fermions.

Large effective mass and interaction-enhanced Zeeman splitting of K -valley electrons in MoSe2

NASA Astrophysics Data System (ADS)

Larentis, Stefano; Movva, Hema C. P.; Fallahazad, Babak; Kim, Kyounghwan; Behroozi, Armand; Taniguchi, Takashi; Watanabe, Kenji; Banerjee, Sanjay K.; Tutuc, Emanuel

2018-05-01

We study the magnetotransport of high-mobility electrons in monolayer and bilayer MoSe2, which show Shubnikov-de Haas (SdH) oscillations and quantum Hall states in high magnetic fields. An electron effective mass of 0.8 me is extracted from the SdH oscillations' temperature dependence; me is the bare electron mass. At a fixed electron density the longitudinal resistance shows minima at filling factors (FFs) that are either predominantly odd, or predominantly even, with a parity that changes as the density is tuned. The SdH oscillations are insensitive to an in-plane magnetic field, consistent with an out-of-plane spin orientation of electrons at the K point. We attribute the FF parity transitions to an interaction enhancement of the Zeeman energy as the density is reduced, resulting in an increased Zeeman-to-cyclotron energy ratio.

Spectral Quadrature method for accurate O ( N ) electronic structure calculations of metals and insulators

DOE PAGES

Pratapa, Phanisri P.; Suryanarayana, Phanish; Pask, John E.

2015-12-02

We present the Clenshaw–Curtis Spectral Quadrature (SQ) method for real-space O(N) Density Functional Theory (DFT) calculations. In this approach, all quantities of interest are expressed as bilinear forms or sums over bilinear forms, which are then approximated by spatially localized Clenshaw–Curtis quadrature rules. This technique is identically applicable to both insulating and metallic systems, and in conjunction with local reformulation of the electrostatics, enables the O(N) evaluation of the electronic density, energy, and atomic forces. The SQ approach also permits infinite-cell calculations without recourse to Brillouin zone integration or large supercells. We employ a finite difference representation in order tomore » exploit the locality of electronic interactions in real space, enable systematic convergence, and facilitate large-scale parallel implementation. In particular, we derive expressions for the electronic density, total energy, and atomic forces that can be evaluated in O(N) operations. We demonstrate the systematic convergence of energies and forces with respect to quadrature order as well as truncation radius to the exact diagonalization result. In addition, we show convergence with respect to mesh size to established O(N 3) planewave results. In conclusion, we establish the efficiency of the proposed approach for high temperature calculations and discuss its particular suitability for large-scale parallel computation.« less

Theory of Friedel oscillations in monolayer graphene and group-VI dichalcogenides in a magnetic field

NASA Astrophysics Data System (ADS)

Rusin, Tomasz M.; Zawadzki, Wlodek

2018-05-01

Friedel oscillations (FO) of electron density caused by a deltalike neutral impurity in two-dimensional (2D) systems in a magnetic field are calculated. Three 2D cases are considered: free electron gas, monolayer graphene, and group-VI dichalcogenides. An exact form of the renormalized Green's function is used in the calculations, as obtained by a summation of the infinite Dyson series and regularization procedure. Final results are valid for large ranges of potential strengths V0, electron densities ne, magnetic fields B , and distances from the impurity r . Realistic models for the impurities are used. The first FO of induced density in WS2 are described by the relation Δ n (r ) ∝sin(2 π r /TFO) /r2 , where TFO∝1 /√{EF} . For weak impurity potentials, the amplitudes of FO are proportional to V0. For attractive potentials and high fields, the total electron density remains positive for all r . On the other hand, for low fields, repulsive potentials and small r , the total electron density may become negative, so that many-body effects should be taken into account.

Interplanetary density models as inferred from solar Type III bursts

NASA Astrophysics Data System (ADS)

Oppeneiger, Lucas; Boudjada, Mohammed Y.; Lammer, Helmut; Lichtenegger, Herbert

2016-04-01

We report on the density models derived from spectral features of solar Type III bursts. They are generated by beams of electrons travelling outward from the Sun along open magnetic field lines. Electrons generate Langmuir waves at the plasma frequency along their ray paths through the corona and the interplanetary medium. A large frequency band is covered by the Type III bursts from several MHz down to few kHz. In this analysis, we consider the previous empirical density models proposed to describe the electron density in the interplanetary medium. We show that those models are mainly based on the analysis of Type III bursts generated in the interplanetary medium and observed by satellites (e.g. RAE, HELIOS, VOYAGER, ULYSSES,WIND). Those models are confronted to stereoscopic observations of Type III bursts recorded by WIND, ULYSSES and CASSINI spacecraft. We discuss the spatial evolution of the electron beam along the interplanetary medium where the trajectory is an Archimedean spiral. We show that the electron beams and the source locations are depending on the choose of the empirical density models.

Glow discharge detector

DOEpatents

Koo, Jackson C.; Yu, Conrad M.

2002-01-01

A highly sensitive electronic ion cell for the measurement of trace elements in He carrier gas which involves glow discharge. A constant wave (CW) glow discharge detector which is controlled through a biased resistor, can detect the change of electron density caused by impurities in the He carrier gas by many orders of magnitude larger than that caused by direct ionization or electron capture. The glow discharge detector utilizes a floating pseudo-electrode to form a probe in or near the plasma. By using this probe, the large variation of electron density due to trace amounts of impurities can be directly measured.

Electrostatic emissions between electron gyroharmonics in the outer magnetosphere

NASA Technical Reports Server (NTRS)

Hubbard, R. F.; Birmingham, T. J.

1977-01-01

A scheme was constructed and a theoretical model was developed to classify electrostatic emissions. All of the emissions appear to be generated by the same basic mechanism: an unstable electron plasma distribution consisting of cold electrons (less than 100 eV) and hot loss cone electrons (about 1 keV). Each emission class is associated with a particular range of model parameters; the wide band electric field data can thus be used to infer the density and temperature of the cold plasma component. The model predicts that gyroharmonic emissions near the plasma frequency require large cold plasma densities.

Imaging spectroscopy of type U and J solar radio bursts with LOFAR

NASA Astrophysics Data System (ADS)

Reid, Hamish A. S.; Kontar, Eduard P.

2017-10-01

Context. Radio U-bursts and J-bursts are signatures of electron beams propagating along magnetic loops confined to the corona. The more commonly observed type III radio bursts are signatures of electron beams propagating along magnetic loops that extend into interplanetary space. Given the prevalence of solar magnetic flux to be closed in the corona, why type III bursts are more frequently observed than U-bursts or J-bursts is an outstanding question. Aims: We use Low-Frequency Array (LOFAR) imaging spectroscopy between 30-80 MHz of low-frequency U-bursts and J-bursts, for the first time, to understand why electron beams travelling along coronal loops produce radio emission less often. Radio burst observations provide information not only about the exciting electron beams but also about the structure of large coronal loops with densities that are too low for standard extreme ultraviolet (EUV) or X-ray analysis. Methods: We analysed LOFAR images of a sequence of two J-bursts and one U-burst. The different radio source positions were used to model the spatial structure of the guiding magnetic flux tube and then deduce the energy range of the exciting electron beams without the assumption of a standard density model. We also estimated the electron density along the magnetic flux rope and compared it to coronal models. Results: The radio sources infer a magnetic loop that is 1 solar radius in altitude with the highest frequency sources starting around 0.6 solar radii. Electron velocities were found between 0.13 c and 0.24 c with the front of the electron beam travelling faster than the back of the electron beam. The velocities correspond to energy ranges within the beam from 0.7-11 keV to 0.7-43 keV. The density along the loop is higher than typical coronal density models and the density gradient is smaller. Conclusions: We found that a more restrictive range of accelerated beam and background plasma parameters can result in U-bursts or J-bursts, causing type III bursts to be more frequently observed. The large instability distances required before Langmuir waves are produced by some electron beams, and the small magnitude of the background density gradients makes closed loops less facilitative for radio emission than loops that extend into interplanetary space.

The determination of ionospheric electron content and distribution from satellite observations. Part 2. Results of the analysis

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

Garriott, O K

1960-04-01

The results of observations of the radio transmissions from Sputnik III (1958 δ 2) in an 8-month period are presented. The measurements of integrated electron density are made in two ways, described in part 1. The measurements reveal the diurnal variation of the total ionospheric electron content; and the ratio of the total content to the content of the lower ionosphere below the height of maximum density in the F layer is obtained. An estimate of the average electron-density profile above the F-layer peak is made possible by the slow variation in the height of the satellite due to rotationmore » of the perigee position. The gross effects of large magnetic storms on the electron content and distribution are found.« less

Electron density measurements from the shot noise collected on the STEREO/WAVES antennas

NASA Astrophysics Data System (ADS)

Zouganelis, Ioannis; Bale, Stuart; Bougeret, J.-L.; Maksimovic, Milan

One of the most reliable techniques for in situ measuring the electron density and temperature in space plasmas is the quasi-thermal noise spectroscopy. When a passive electric antenna is immersed in a stable plasma, the thermal motion of the ambient particles produces electrostatic fluctuations, which can be adequately measured with a sensitive wave receiver connected to a wire dipole antenna. Unfortunately, on STEREO, the S/WAVES design does not let us use this high accuracy technique because the antennas have a large surface area and the resulting shot noise spectrum in the solar wind dominates the power at lower frequencies. We can use, instead, the electron shot noise to infer the plasma density. For this, we use well calibrated Wind particle data to deduce the base capacitance of the S/WAVES instrument in a special configuration when the STEREO-B spacecraft was just downstream of Wind. The electron plasma density deduced is then compared to the S/PLASTIC ion density and its accuracy is estimated of up to 10

Electron density measurement of non-equilibrium atmospheric pressure plasma using dispersion interferometer

NASA Astrophysics Data System (ADS)

Yoshimura, Shinji; Kasahara, Hiroshi; Akiyama, Tsuyoshi

2017-10-01

Medical applications of non-equilibrium atmospheric plasmas have recently been attracting a great deal of attention, where many types of plasma sources have been developed to meet the purposes. For example, plasma-activated medium (PAM), which is now being studied for cancer treatment, has been produced by irradiating non-equilibrium atmospheric pressure plasma with ultrahigh electron density to a culture medium. Meanwhile, in order to measure electron density in magnetic confinement plasmas, a CO2 laser dispersion interferometer has been developed and installed on the Large Helical Device (LHD) at the National Institute for Fusion Science, Japan. The dispersion interferometer has advantages that the measurement is insensitive to mechanical vibrations and changes in neutral gas density. Taking advantage of these properties, we applied the dispersion interferometer to electron density diagnostics of atmospheric pressure plasmas produced by the NU-Global HUMAP-WSAP-50 device, which is used for producing PAM. This study was supported by the Grant of Joint Research by the National Institutes of Natural Sciences (NINS).

Validation of ISS Floating Potential Measurement Unit Electron Densities and Temperatures

NASA Technical Reports Server (NTRS)

Coffey, Victoria N.; Minow, Joseph I.; Parker, Linda N.; Bui, Them; Wright, Kenneth, Jr.; Koontz, Steven L.; Schneider, T.; Vaughn, J.; Craven, P.

2007-01-01

Validation of the Floating Potential Measurement Unit (FPMU) electron density and temperature measurements is an important step in the process of evaluating International Space Station spacecraft charging issues .including vehicle arcing and hazards to crew during extravehicular activities. The highest potentials observed on Space Station are due to the combined VxB effects on a large spacecraft and the collection of ionospheric electron and ion currents by the 160 V US solar array modules. Ionospheric electron environments are needed for input to the ISS spacecraft charging models used to predict the severity and frequency of occurrence of ISS charging hazards. Validation of these charging models requires comparing their predictions with measured FPMU values. Of course, the FPMU measurements themselves must also be validated independently for use in manned flight safety work. This presentation compares electron density and temperatures derived from the FPMU Langmuir probes and Plasma Impedance Probe against the independent density and temperature measurements from ultraviolet imagers, ground based incoherent scatter radar, and ionosonde sites.

Rocket observations of the ionosphere during the eclipse of 26 February 1979

NASA Technical Reports Server (NTRS)

Mcinerney, M. K.; Smith, L. G.

1984-01-01

Electron density profiles and energetic particle fluxes were determined from two rockets launched, respectively, at the beginning and end of totality during the solar eclipse of 26 February 1979. These, and one other rocket at the same time of day on 24 February 1979, were launched from near Red Lake, Ontario. The electron density profile from 24 February shows the electron density to be normal above 110 km, to rocket apogee. Below 110 km, the electron density is enhanced, by an order of magnitude in the D region, compared with data from Wallops Island at the same solar zenith angle (63 deg). The enhancement is qualitatively explained by the large flux of field aligned energetic particles observed on the same rocket. During totality (on 26 February) the electron density above 110 km to rocket apogee is reduced by a factor of about three. Below 110 km, the electron density is much greater than observed during previous eclipses. The particle flux measured on the 26 February was an order of magnitude less than that on the 24 February but showed greater variability, particularly at the higher energies (100 keV). A feature of the particle flux is that, for the two rockets that were separated horizontally by 38 km while above the absorbing region, the variations are uncorrelated.

Densities of 5-15 micron interplanetary dust particles

NASA Technical Reports Server (NTRS)

Love, S. G.; Joswiak, D. J.; Brownlee, D. E.

1993-01-01

We have measured the densities of about 100 5-15 micron stratospheric IDPs. Great care was taken to minimize selection bias in the sample population. Masses were determined using an absolute x-ray analysis technique with a transmission electron microscope, and volumes were found using scanning electron microscope imagery. Unmelted chondritic particles have densities between 0.5 and 6.0 g/cc. Roughly half of the particles have densities below 2 g/cc, indicating appreciable porosity, but porosities greater than about 70 percent are rare. IDPs with densities above 3.5 g/cc usually contain large sulfide grains. We find no evidence of bimodality in the unmelted particle density distribution. Chondritic spherules (melted particles) have densities near 3.5 g/cc, consistent with previous results for deep sea spherules.

Isolation and characterization of multivesicular bodies from rat hepatocytes: an organelle distinct from secretory vesicles of the Golgi apparatus

PubMed Central

1985-01-01

Hepatocytes of estradiol-treated rats, which express many low density lipoprotein receptors, rapidly accumulate intravenously injected low density lipoprotein in multivesicular bodies (MVBs). We have isolated MVBs and Golgi apparatus fractions from livers of estradiol-treated rats. MVB fractions were composed mainly of large vesicles, approximately 0.55 micron diam, filled with remnantlike very low density lipoproteins, known to be taken up into hepatocytes by receptor- mediated endocytosis. MVBs also contained numerous small vesicles, 0.05- 0.07 micron in diameter, and had two types of appendages: one fingerlike and electron dense and the other saclike and electron lucent. MVBs contained little galactosyltransferase or arylsulfatase activity, and content lipoproteins were largely intact. Very low density lipoproteins from Golgi fractions, which are derived to a large extent from secretory vesicles, were larger than those of MVB fractions and contained newly synthesized triglycerides. Membranes of MVBs contained much more cholesterol and less protein than did Golgi membranes. We conclude that two distinct lipoprotein-filled organelles are located in the bile canalicular pole of hepatocytes. MVBs, a major prelysosomal organelle of low density in the endocytic pathway, contain remnants of triglyceride-rich lipoproteins, whereas secretory vesicles of the Golgi apparatus contain nascent very low density lipoproteins. PMID:3988801

Two dimensional fluid simulation in capacitively coupled silane discharges

NASA Astrophysics Data System (ADS)

Song, Yuan-Hong; Liu, Xiang-Mei; Wang, Yan; Wang, You-Nian

2011-10-01

A two-dimensional (2D) self-consistent fluid model is developed to describe the formation, subsequent growth, transport and charging mechanisms of nanoparticles in a capacitively coupled silane plasma. In this discharge process, large anions are produced by a series of chemical reactions of anions with silane molecules, while the lower limit of the initial nanoparticles are taken as large anions to directly link the coagulation module with the nucleation module. The influences of source parameters on the electron density, electron temperature, nanoparticle uniformity, and deposition rate, are carefully studied. Moreover, the behavior of silicon plasma mixed with SiH4, N2 and O2 in a pulse modulated capacitively coupled plasma has been also investigated. Results showed a strong dependence of the electron density and electron temperature on the duty cycle and the modulated frequency. Supported by NSFC (No.10775025 and No. 10805008), INSTSP (Grant No: 2011ZX02403-001), and PNCETU (NCET-08-0073).

On the threshold conditions for electron beam damage of asbestos amosite fibers in the transmission electron microscope (TEM).

PubMed

Martin, Joannie; Beauparlant, Martin; Sauvé, Sébastien; L'Espérance, Gilles

2016-12-01

Asbestos amosite fibers were investigated to evaluate the damage caused by a transmission electron microscope (TEM) electron beam. Since elemental x-ray intensity ratios obtained by energy dispersive x-ray spectroscopy (EDS) are commonly used for asbestos identification, the impact of beam damage on these ratios was evaluated. It was determined that the magnesium/silicon ratio best represented the damage caused to the fiber. Various tests showed that most fibers have a current density threshold above which the chemical composition of the fiber is modified. The value of this threshold current density varied depending on the fiber, regardless of fiber diameter, and in some cases could not be determined. The existence of a threshold electron dose was also demonstrated. This value was dependent on the current density used and can be increased by providing a recovery period between exposures to the electron beam. This study also established that the electron beam current is directly related to the damage rate above a current density of 165 A/cm 2 . The large number of different results obtained suggest, that in order to ensure that the amosite fibers are not damaged, analysis should be conducted below a current density of 100 A/cm 2 .

Excited level populations and excitation kinetics of nonequilibrium ionizing argon discharge plasma of atmospheric pressure

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

Akatsuka, Hiroshi

2009-04-15

Population densities of excited states of argon atoms are theoretically examined for ionizing argon plasma in a state of nonequilibrium under atmospheric pressure from the viewpoint of elementary processes with collisional radiative model. The dependence of excited state populations on the electron and gas temperatures is discussed. Two electron density regimes are found, which are distinguished by the population and depopulation mechanisms for the excited states in problem. When the electron impact excitation frequency for the population or depopulation is lower than the atomic impact one, the electron density of the plasma is considered as low to estimate the populationmore » and depopulation processes. Some remarkable characteristics of population and depopulation mechanisms are found for the low electron density atmospheric plasma, where thermal relaxation by atomic collisions becomes the predominant process within the group of close-energy states in the ionizing plasma of atmospheric pressure, and the excitation temperature is almost the same as the gas temperature. In addition to the collisional relaxation by argon atoms, electron impact excitation from the ground state is also an essential population mechanism. The ratios of population density of the levels pairs, between which exists a large energy gap, include information on the electron collisional kinetics. For high electron density, the effect of atomic collisional relaxation becomes weak. For this case, the excitation mechanism is explained as electron impact ladderlike excitation similar to low-pressure ionizing plasma, since the electron collision becomes the dominant process for the population and depopulation kinetics.« less

DE 1 observations of type 1 counterstreaming electrons and field-aligned currents

NASA Technical Reports Server (NTRS)

Lin, C. S.; Burch, J. L.; Barfield, J. N.; Sugiura, M.; Nielsen, E.

1984-01-01

Dynamics Explorer 1 satellite observations of plasma and magnetic fields during type one counterstreaming electron events are presented. Counterstreaming electrons are observed at high altitudes in the region of field-aligned current. The total current density computed from the plasma data in the 18-10,000 eV energy range is generally about 1-2 micro-A/sq m. For the downward current, low-energy electrons contribute more than 40 percent of the total plasma current density integrated above 18 eV. For the upward current, such electrons contribute less than 50 percent of that current density. Electron beams in the field-aligned direction are occasionally detected. The pitch angle distributions of counterstreaming electrons are generally enhanced at both small and large pitch angles. STARE simultaneous observations for one DE 1 pass indicated that the field-aligned current was closed through Pedersen currents in the ionosphere. The directions of the ionospheric current systems are consistent with the DE 1 observations at high altitudes.

Highly multireferenced arynes studied with large active spaces using two-electron reduced density matrices.

PubMed

Greenman, Loren; Mazziotti, David A

2009-05-14

Using the active-space two-electron reduced density matrix (2-RDM) method, which scales polynomially with the size of the active space [G. Gidofalvi and D. A. Mazziotti, J. Chem. Phys. 129, 134108 (2008)], we were able to use active spaces as large as 24 electrons in 24 orbitals in computing the ground-state energies and properties of highly multireferenced arynes. Because the conventional complete-active-space self-consistent-field (CASSCF) method scales exponentially with the size of the active space, its application to arynes was mainly limited to active spaces of 12 electrons in 12 orbitals. For these smaller active spaces the active-space 2-RDM method accurately reproduces the results of CASSCF. However, we show that the larger active spaces are necessary for describing changes in energies and properties with aryne chain length such as the emergence of polyradical character. Furthermore, the addition of further electron correlation by multireference perturbation theory is demonstrated to be inadequate for removing the limitations of the smaller active spaces.

Comparison of Conjugate Gradient Density Matrix Search and Chebyshev Expansion Methods for Avoiding Diagonalization in Large-Scale Electronic Structure Calculations

NASA Technical Reports Server (NTRS)

Bates, Kevin R.; Daniels, Andrew D.; Scuseria, Gustavo E.

1998-01-01

We report a comparison of two linear-scaling methods which avoid the diagonalization bottleneck of traditional electronic structure algorithms. The Chebyshev expansion method (CEM) is implemented for carbon tight-binding calculations of large systems and its memory and timing requirements compared to those of our previously implemented conjugate gradient density matrix search (CG-DMS). Benchmark calculations are carried out on icosahedral fullerenes from C60 to C8640 and the linear scaling memory and CPU requirements of the CEM demonstrated. We show that the CPU requisites of the CEM and CG-DMS are similar for calculations with comparable accuracy.

Improved two-temperature model including electron density of states effects for Au during femtosecond laser pulses

NASA Astrophysics Data System (ADS)

Fang, Ranran; Wei, Hua; Li, Zhihua; Zhang, Duanming

2012-01-01

The electron temperature dependences of the electron-phonon coupling factor and electron heat capacity based on the electron density of states are investigated for precious metal Au under femtosecond laser irradiation. The thermal excitation of d band electrons is found to result in large deviations from the commonly used approximations of linear temperature dependence of the electron heat capacity, and the constant electron-phonon coupling factor. Results of the simulations performed with the two-temperature model demonstrate that the electron-phonon relaxation time becomes short for high fluence laser for Au. The satisfactory agreement between our numerical results and experimental data of threshold fluence indicates that the electron temperature dependence of the thermophysical parameters accounting for the thermal excitation of d band electrons should not be neglected under the condition that electron temperature is higher than 10 4 K.

Self-consistent electronic structure of disordered Fe/sub 0. 65/Ni/sub 0. 35/

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

Johnson, D.D.; Pinski, F.J.; Stocks, G.M.

1985-04-15

We present the results of the first ab initio calculation of the electronic structure of the disordered alloy Fe/sub 0.65/Ni/sub 0.35/. The calculation is based on the multiple-scattering coherent-potential approach (KKR-CPA) and is fully self-consistent and spin polarized. Magnetic effects are included within local-spin-density functional theory using the exchange-correlation function of Vosko--Wilk--Nusair. The most striking feature of the calculation is that electrons of different spins experience different degrees of disorder. The minority spin electrons see a very large disorder, whereas the majority spin electrons see little disorder. Consequently, the minority spin density of states is smooth compared to the verymore » structured majority spin density of states. This difference is due to a subtle balance between exchange splitting and charge neutrality.« less

Self-consistent electronic structure of disordered Fe/sub 0/ /sub 65/Ni/sub 0/ /sub 35/

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

Johnson, D.D.; Pinski, F.J.; Stocks, G.M.

1984-01-01

We present the results of the first ab-initio calculation of the electronic structure of a disordered Fe/sub 0/ /sub 65/Ni/sub 0/ /sub 35/ alloy. The calculation is based on the multiple-scattering coherent-potential approach (KKR-CPA) and is fully self-consistent and spin-polarized. Magnetic effects are included within local-spin-density functional theory using the exchange-correlation function of Vosko-Wilk-Nusair. The most striking feature of the calculation is that electrons of different spins experience different degrees of disorder. The minority spin electrons see a very large disorder; whereas, the majority spin electrons see little disorder. Consequently, the minority spin density of states is smooth compared tomore » the very structured majority spin density of states. This difference is due to a subtle balance between exchange-splitting and charge neutrality. 15 references, 2 figures.« less

Diagnosing pure-electron plasmas with internal particle flux probes.

PubMed

Kremer, J P; Pedersen, T Sunn; Marksteiner, Q; Lefrancois, R G; Hahn, M

2007-01-01

Techniques for measuring local plasma potential, density, and temperature of pure-electron plasmas using emissive and Langmuir probes are described. The plasma potential is measured as the least negative potential at which a hot tungsten filament emits electrons. Temperature is measured, as is commonly done in quasineutral plasmas, through the interpretation of a Langmuir probe current-voltage characteristic. Due to the lack of ion-saturation current, the density must also be measured through the interpretation of this characteristic thereby greatly complicating the measurement. Measurements are further complicated by low densities, low cross field transport rates, and large flows typical of pure-electron plasmas. This article describes the use of these techniques on pure-electron plasmas in the Columbia Non-neutral Torus (CNT) stellarator. Measured values for present baseline experimental parameters in CNT are phi(p)=-200+/-2 V, T(e)=4+/-1 eV, and n(e) on the order of 10(12) m(-3) in the interior.

Diffuse Surface Scattering in the Plasmonic Resonances of Ultralow Electron Density Nanospheres.

PubMed

Monreal, R Carmina; Antosiewicz, Tomasz J; Apell, S Peter

2015-05-21

Localized surface plasmon resonances (LSPRs) have recently been identified in extremely diluted electron systems obtained by doping semiconductor quantum dots. Here, we investigate the role that different surface effects, namely, electronic spill-out and diffuse surface scattering, play in the optical properties of these ultralow electron density nanosystems. Diffuse scattering originates from imperfections or roughness at a microscopic scale on the surface. Using an electromagnetic theory that describes this mechanism in conjunction with a dielectric function including the quantum size effect, we find that the LSPRs show an oscillatory behavior in both position and width for large particles and a strong blue shift in energy and an increased width for smaller radii, consistent with recent experimental results for photodoped ZnO nanocrystals. We thus show that the commonly ignored process of diffuse surface scattering is a more important mechanism affecting the plasmonic properties of ultralow electron density nanoparticles than the spill-out effect.

A Statistical Study of Eiscat Electron and Ion Temperature Measurements In The E-region

NASA Astrophysics Data System (ADS)

Hussey, G.; Haldoupis, C.; Schlegel, K.; Bösinger, T.

Motivated by the large EISCAT data base, which covers over 15 years of common programme operation, and previous statistical work with EISCAT data (e.g., C. Hal- doupis, K. Schlegel, and G. Hussey, Auroral E-region electron density gradients mea- sured with EISCAT, Ann. Geopshysicae, 18, 1172-1181, 2000), a detailed statistical analysis of electron and ion EISCAT temperature measurements has been undertaken. This study was specifically concerned with the statistical dependence of heating events with other ambient parameters such as the electric field and electron density. The re- sults showed previously reported dependences such as the electron temperature being directly correlated with the ambient electric field and inversely related to the electron density. However, these correlations were found to be also dependent upon altitude. There was also evidence of the so called "Schlegel effect" (K. Schlegel, Reduced effective recombination coefficient in the disturbed polar E-region, J. Atmos. Terr. Phys., 44, 183-185, 1982); that is, the heated electron gas leads to increases in elec- tron density through a reduction in the recombination rate. This paper will present the statistical heating results and attempt to offer physical explanations and interpretations of the findings.

HERSCHEL GALACTIC PLANE SURVEY OF [N ii] FINE STRUCTURE EMISSION

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

Goldsmith, Paul F.; Yıldız, Umut A.; Langer, William D.

2015-12-01

We present the first large-scale high angular resolution survey of ionized nitrogen in the Galactic Plane through emission of its two fine structure transitions ([N ii]) at 122 and 205 μm. The observations were largely obtained with the PACS instrument onboard the Herschel Space Observatory. The lines of sight were in the Galactic plane, following those of the Herschel OTKP project GOT C+. Both lines are reliably detected at the 10{sup −8}–10{sup −7} Wm{sup −2} sr{sup −1} level over the range –60° ≤ l ≤ 60°. The rms of the intensity among the 25 PACS spaxels of a given pointingmore » is typically less than one third of the mean intensity, showing that the emission is extended. [N ii] is produced in gas in which hydrogen is ionized, and collisional excitation is by electrons. The ratio of the two fine structure transitions provides a direct measurement of the electron density, yielding n(e) largely in the range 10–50 cm{sup −3} with an average value of 29 cm{sup −3} and N{sup +} column densities 10{sup 16}–10{sup 17} cm{sup −2}. [N ii] emission is highly correlated with that of [C ii], and we calculate that between 1/3 and 1/2 of the [C ii] emission is associated with the ionized gas. The relatively high electron densities indicate that the source of the [N ii] emission is not the warm ionized medium (WIM), which has electron densities more than 100 times smaller. Possible origins of the observed [N ii] include the ionized surfaces of dense atomic and molecular clouds, the extended low-density envelopes of H ii regions, and low-filling factor high-density fluctuations of the WIM.« less

You are lost without a map: Navigating the sea of protein structures.

PubMed

Lamb, Audrey L; Kappock, T Joseph; Silvaggi, Nicholas R

2015-04-01

X-ray crystal structures propel biochemistry research like no other experimental method, since they answer many questions directly and inspire new hypotheses. Unfortunately, many users of crystallographic models mistake them for actual experimental data. Crystallographic models are interpretations, several steps removed from the experimental measurements, making it difficult for nonspecialists to assess the quality of the underlying data. Crystallographers mainly rely on "global" measures of data and model quality to build models. Robust validation procedures based on global measures now largely ensure that structures in the Protein Data Bank (PDB) are largely correct. However, global measures do not allow users of crystallographic models to judge the reliability of "local" features in a region of interest. Refinement of a model to fit into an electron density map requires interpretation of the data to produce a single "best" overall model. This process requires inclusion of most probable conformations in areas of poor density. Users who misunderstand this can be misled, especially in regions of the structure that are mobile, including active sites, surface residues, and especially ligands. This article aims to equip users of macromolecular models with tools to critically assess local model quality. Structure users should always check the agreement of the electron density map and the derived model in all areas of interest, even if the global statistics are good. We provide illustrated examples of interpreted electron density as a guide for those unaccustomed to viewing electron density. Copyright © 2014 Elsevier B.V. All rights reserved.

High-latitude electron density observations from the IMAGE radio plasma imager

NASA Astrophysics Data System (ADS)

Henize, Vance Karl

2003-11-01

Before the IMAGE mission, electron densities in the high latitude, high altitude region of the magnetosphere were measured exclusively by in situ means. The Radio Plasma Imager instrument onboard IMAGE is capable of remotely observing electron densities between 0.01 and 100,000 e-/cm-3 from distances of several Earth radii or more. This allows a global view of the high latitude region that has a far greater accuracy than was previously possible. Soundings of the terrestrial magnetic cusp provide the first remote observations of the dynamics and poleward density profile of this feature continuously over a 60- minute interval. During steady quiet-time solar wind and interplanetary magnetic field conditions, the cusp is shown to be stable in both position and density structure with only slight variations in both. Peak electron densities within the cusp during this time are found to be somewhat higher than predicted. New procedures for deriving electron densities from radio sounding measurements are developed. The addition of curve fitting algorithms significantly increases the amount of useable data. Incorporating forward modeling techniques greatly reduces the computational time over traditional inversion methods. These methods are described in detail. A large number high latitude observations of ducted right-hand extraordinary mode waves made over the course of one year of the IMAGE mission are used to create a three dimensional model of the electron density profile of the terrestrial polar cap region. The dependence of electron density in the polar cap on average geocentric distance (d) is found to vary as d-6.6. This is a significantly steeper gradient than cited in earlier works such as Persoon et al., although the introduction of an asymptotic term provides for basic agreement in the limited region of their joint validity. Latitudinal and longitudinal variations are found to be insignificant. Both the mean profile power law index of the electron density profile and, to a stronger degree, its variance show dependence with the DST index.

Plasma distributions in meteor head echoes and implications for radar cross section interpretation

NASA Astrophysics Data System (ADS)

Marshall, Robert A.; Brown, Peter; Close, Sigrid

2017-09-01

The derivation of meteoroid masses from radar measurements requires conversion of the measured radar cross section (RCS) to meteoroid mass. Typically, this conversion passes first through an estimate of the meteor plasma density derived from the RCS. However, the conversion from RCS to meteor plasma density requires assumptions on the radial electron density distribution. We use simultaneous triple-frequency measurements of the RCS for 63 large meteor head echoes to derive estimates of the meteor plasma size and density using five different possible radial electron density distributions. By fitting these distributions to the observed meteor RCS values and estimating the goodness-of-fit, we determine that the best fit to the data is a 1 /r2 plasma distribution, i.e. the electron density decays as 1 /r2 from the center of the meteor plasma. Next, we use the derived plasma distributions to estimate the electron line density q for each meteor using each of the five distributions. We show that depending on the choice of distribution, the line density can vary by a factor of three or more. We thus argue that a best estimate for the radial plasma distribution in a meteor head echo is necessary in order to have any confidence in derived meteoroid masses.

Observation of the electron density fluctuations by using the O-mode Microwave Imaging Reflectometry in LHD

NASA Astrophysics Data System (ADS)

Nagayama, Yoshio; Yamaguchi, Soichiro; Tsuchiya, Hayato; Kuwahara, Daisuke; LHD Experimental Team

2016-10-01

Visualization of local electron density fluctuations will be very useful to study the physics of confinement and instabilities in fusion plasma. In the Large Helical Device (LHD), the O-mode microwave imaging reflectometry (O-MIR) has been intensively developed in order to visualize the electron density fluctuations. The frequency is 26 - 34 GHz. This corresponds to the electron density of 0.8 - 1.5 × 1019 m-3. The plasma is illuminated by the Gaussian beam with four frequencies. The imaging optics make a plasma image onto the newly developed 2D (8 × 8) Horn-antenna Millimeter-wave Imaging Device (HMID). In HMID, the signal wave that is accumulated by the horn antenna is transduced to the micro-strip line by using the finline transducer. The signal wave is mixed by the double balanced mixer with the local wave that is delivered by cables. By using O-MIR, electron density fluctuations are measured at the H-mode edge and the ITB layer in LHD. This work is supported by NIFS/NINS under the project of Formation of International Scientific Base and Network, by the NIFS LHD project, by KAKENHI, and by IMS.

Ab initio density functional theory investigation of crystalline bundles of polygonized single-walled silicon carbide nanotubes

NASA Astrophysics Data System (ADS)

Moradian, Rostam; Behzad, Somayeh; Chegel, Raad

2008-11-01

By using ab initio density functional theory, the structural characterizations and electronic properties of two large-diameter (13, 13) and (14, 14) armchair silicon carbide nanotube (SiCNT) bundles are investigated. Full structural optimizations show that the cross sections of these large-diameter SiCNTs in the bundles have a nearly hexagonal shape. The effects of inter-tube coupling on the electronic dispersions of large-diameter SiCNT bundles are demonstrated. By comparing the band structures of the triangular lattices of (14, 14) SiCNTs with nearly hexagonal and circular cross sections we found that the polygonization of the tubes in the bundle leads to a further dispersion of the occupied bands and an increase in the bandgap by 0.18 eV.

Ab initio density functional theory investigation of crystalline bundles of polygonized single-walled silicon carbide nanotubes.

PubMed

Moradian, Rostam; Behzad, Somayeh; Chegel, Raad

2008-11-19

By using ab initio density functional theory, the structural characterizations and electronic properties of two large-diameter (13, 13) and (14, 14) armchair silicon carbide nanotube (SiCNT) bundles are investigated. Full structural optimizations show that the cross sections of these large-diameter SiCNTs in the bundles have a nearly hexagonal shape. The effects of inter-tube coupling on the electronic dispersions of large-diameter SiCNT bundles are demonstrated. By comparing the band structures of the triangular lattices of (14, 14) SiCNTs with nearly hexagonal and circular cross sections we found that the polygonization of the tubes in the bundle leads to a further dispersion of the occupied bands and an increase in the bandgap by 0.18 eV.

Observations of ionospheric electron beams in the plasma sheet.

PubMed

Zheng, H; Fu, S Y; Zong, Q G; Pu, Z Y; Wang, Y F; Parks, G K

2012-11-16

Electrons streaming along the magnetic field direction are frequently observed in the plasma sheet of Earth's geomagnetic tail. The impact of these field-aligned electrons on the dynamics of the geomagnetic tail is however not well understood. Here we report the first detection of field-aligned electrons with fluxes increasing at ~1 keV forming a "cool" beam just prior to the dissipation of energy in the current sheet. These field-aligned beams at ~15 R(E) in the plasma sheet are nearly identical to those commonly observed at auroral altitudes, suggesting the beams are auroral electrons accelerated upward by electric fields parallel (E([parallel])) to the geomagnetic field. The density of the beams relative to the ambient electron density is δn(b)/n(e)~5-13% and the current carried by the beams is ~10(-8)-10(-7) A m(-2). These beams in high β plasmas with large density and temperature gradients appear to satisfy the Bohm criteria to initiate current driven instabilities.

Large Scale Ionospheric Response During March 17, 2013 Geomagnetic Storm: Reanalysis Based on Multiple Satellites Observations and TIEGCM Simulations

NASA Astrophysics Data System (ADS)

Yue, X.; Wang, W.; Schreiner, W. S.; Kuo, Y. H.; Lei, J.; Liu, J.; Burns, A. G.; Zhang, Y.; Zhang, S.

2015-12-01

Based on slant total electron content (TEC) observations made by ~10 satellites and ~450 ground IGS GNSS stations, we constructed a 4-D ionospheric electron density reanalysis during the March 17, 2013 geomagnetic storm. Four main large-scale ionospheric disturbances are identified from reanalysis: (1) The positive storm during the initial phase; (2) The SED (storm enhanced density) structure in both northern and southern hemisphere; (3) The large positive storm in main phase; (4) The significant negative storm in middle and low latitude during recovery phase. We then run the NCAR-TIEGCM model with Heelis electric potential empirical model as polar input. The TIEGCM can reproduce 3 of 4 large-scale structures (except SED) very well. We then further analyzed the altitudinal variations of these large-scale disturbances and found several interesting things, such as the altitude variation of SED, the rotation of positive/negative storm phase with local time. Those structures could not be identified clearly by traditional used data sources, which either has no gloval coverage or no vertical resolution. The drivers such as neutral wind/density and electric field from TIEGCM simulations are also analyzed to self-consistantly explain the identified disturbance features.

Temperature Dependence of Electric Transport in Few-layer Graphene under Large Charge Doping Induced by Electrochemical Gating

PubMed Central

Gonnelli, R. S.; Paolucci, F.; Piatti, E.; Sharda, Kanudha; Sola, A.; Tortello, M.; Nair, Jijeesh R.; Gerbaldi, C.; Bruna, M.; Borini, S.

2015-01-01

The temperature dependence of electric transport properties of single-layer and few-layer graphene at large charge doping is of great interest both for the study of the scattering processes dominating the conductivity at different temperatures and in view of the theoretically predicted possibility to reach the superconducting state in such extreme conditions. Here we present the results obtained in 3-, 4- and 5-layer graphene devices down to 3.5 K, where a large surface charge density up to about 6.8·1014 cm−2 has been reached by employing a novel polymer electrolyte solution for the electrochemical gating. In contrast with recent results obtained in single-layer graphene, the temperature dependence of the sheet resistance between 20 K and 280 K shows a low-temperature dominance of a T2 component – that can be associated with electron-electron scattering – and, at about 100 K, a crossover to the classic electron-phonon regime. Unexpectedly, this crossover does not show any dependence on the induced charge density, i.e. on the large tuning of the Fermi energy. PMID:25906088

Spatial Structure of Large-Scale Plasma Density Perturbations HF-Induced in the Ionospheric F 2 Region

NASA Astrophysics Data System (ADS)

Frolov, V. L.; Komrakov, G. P.; Glukhov, Ya. V.; Andreeva, E. S.; Kunitsyn, V. E.; Kurbatov, G. A.

2016-07-01

We consider the experimental results obtained by studying the large-scale structure of the HF-disturbed ionospheric region. The experiments were performed using the SURA heating facility. The disturbed ionospheric region was sounded by signals radiated by GPS navigation satellite beacons as well as by signals of low-orbit satellites (radio tomography). The results of the experiments show that large-scale plasma density perturbations induced at altitudes higher than the F2 layer maximum can contribute significantly to the measured variations of the total electron density and can, with a certain arrangement of the reception points, be measured by the GPS sounding method.

Measurements of the K -Shell Opacity of a Solid-Density Magnesium Plasma Heated by an X-Ray Free-Electron Laser

DOE PAGES

Preston, T. R.; Vinko, S. M.; Ciricosta, O.; ...

2017-08-25

We present measurements of the spectrally resolved x rays emitted from solid-density magnesium targets of varying sub-μm thicknesses isochorically heated by an x-ray laser. The data exhibit a largely thickness independent source function, allowing the extraction of a measure of the opacity to K-shell x rays within well-defined regimes of electron density and temperature, extremely close to local thermodynamic equilibrium conditions. The deduced opacities at the peak of the Kα transitions of the ions are consistent with those predicted by detailed atomic-kinetics calculations.

Electron Densities Near Io from Galileo Plasma Wave Observations

NASA Technical Reports Server (NTRS)

Gurnett, D. A.; Persoon, A. M.; Kurth, W. S.; Roux, A.; Bolton, S. J.

2001-01-01

This paper presents an overview of electron densities obtained near Io from the Galileo plasma wave instrument during the first four flybys of Io. These flybys were Io, which was a downstream wake pass that occurred on December 7, 1995; I24, which was an upstream pass that occurred on October 11, 1999; I25, which was a south polar pass that occurred on November 26, 1999; and I27, which was an upstream pass that occurred on February 22, 2000. Two methods were used to measure the electron density. The first was based on the frequency of upper hybrid resonance emissions, and the second was based on the low-frequency cutoff of electromagnetic radiation at the electron plasma frequency. For three of the flybys, Io, I25, and I27, large density enhancements were observed near the closest approach to Io. The peak electron densities ranged from 2.1 to 6.8 x 10(exp 4) per cubic centimeters. These densities are consistent with previous radio occultation measurements of Io's ionosphere. No density enhancement was observed during the I24 flyby, most likely because the spacecraft trajectory passed too far upstream to penetrate Io's ionosphere. During two of the flybys, I25 and I27, abrupt step-like changes were observed at the outer boundaries of the region of enhanced electron density. Comparisons with magnetic field models and energetic particle measurements show that the abrupt density steps occur as the spacecraft penetrated the boundary of the Io flux tube, with the region of high plasma density on the inside of the flux tube. Most likely the enhanced electron density within the Io flux tube is associated with magnetic field lines that are frozen to Io by the high conductivity of Io's atmosphere, thereby enhancing the escape of plasma along the magnetic field lines that pass through Io's ionosphere.

Full Quantum Dynamics Simulation of a Realistic Molecular System Using the Adaptive Time-Dependent Density Matrix Renormalization Group Method.

PubMed

Yao, Yao; Sun, Ke-Wei; Luo, Zhen; Ma, Haibo

2018-01-18

The accurate theoretical interpretation of ultrafast time-resolved spectroscopy experiments relies on full quantum dynamics simulations for the investigated system, which is nevertheless computationally prohibitive for realistic molecular systems with a large number of electronic and/or vibrational degrees of freedom. In this work, we propose a unitary transformation approach for realistic vibronic Hamiltonians, which can be coped with using the adaptive time-dependent density matrix renormalization group (t-DMRG) method to efficiently evolve the nonadiabatic dynamics of a large molecular system. We demonstrate the accuracy and efficiency of this approach with an example of simulating the exciton dissociation process within an oligothiophene/fullerene heterojunction, indicating that t-DMRG can be a promising method for full quantum dynamics simulation in large chemical systems. Moreover, it is also shown that the proper vibronic features in the ultrafast electronic process can be obtained by simulating the two-dimensional (2D) electronic spectrum by virtue of the high computational efficiency of the t-DMRG method.

The First Results About Earthquake Study with FORMOSAT-3/COSMIC

NASA Astrophysics Data System (ADS)

Liu, J. Y.; Oyama, K.; Jhuang, H. K.; Istep, M.; Hsiao, C. C.; Wang, Y. H.

2007-12-01

To improve the global weather prediction and space weather monitoring, six microsatellites termed the Formosa Satellite 3 - Constellation Observing System for Meteorology, Ionosphere, and Climate (FORMOSAT-3/COSMIC) were launched into a circular low-Earth orbit (LEO) from Vandenberg Air Force Base, California, at 0140 UTC on 15 April 2006. Each microsatellite of the joint Taiwan-US satellite constellation mission has a GPS occultation experiment (GOX) payload to operate the atmospheric and ionospheric radio occultation, a tiny ionospheric photometer (TIP) to observe the nighttime ionospheric airglow OI 135.6 nm emission, and a tri-band beacon (TBB) to tomographically estimate fine structures of ionospheric electron density on the satellite-to-receiver plane. While the GOX daily observes about 2500 vertical electron density profiles up to the satellite altitude, the TIP provides accurate horizontal gradients of nighttime electron density. In this study, anomalies in the ionospheric electron density structure and dynamics concurrently observed by FORMOSAT-3/COSMIC and co-located ground- based GPS receivers before recent large earthquakes are presented and discussed.

Plasma devices to guide and collimate a high density of MeV electrons.

PubMed

Kodama, R; Sentoku, Y; Chen, Z L; Kumar, G R; Hatchett, S P; Toyama, Y; Cowan, T E; Freeman, R R; Fuchs, J; Izawa, Y; Key, M H; Kitagawa, Y; Kondo, K; Matsuoka, T; Nakamura, H; Nakatsutsumi, M; Norreys, P A; Norimatsu, T; Snavely, R A; Stephens, R B; Tampo, M; Tanaka, K A; Yabuuchi, T

2004-12-23

The development of ultra-intense lasers has facilitated new studies in laboratory astrophysics and high-density nuclear science, including laser fusion. Such research relies on the efficient generation of enormous numbers of high-energy charged particles. For example, laser-matter interactions at petawatt (10(15) W) power levels can create pulses of MeV electrons with current densities as large as 10(12) A cm(-2). However, the divergence of these particle beams usually reduces the current density to a few times 10(6) A cm(-2) at distances of the order of centimetres from the source. The invention of devices that can direct such intense, pulsed energetic beams will revolutionize their applications. Here we report high-conductivity devices consisting of transient plasmas that increase the energy density of MeV electrons generated in laser-matter interactions by more than one order of magnitude. A plasma fibre created on a hollow-cone target guides and collimates electrons in a manner akin to the control of light by an optical fibre and collimator. Such plasma devices hold promise for applications using high energy-density particles and should trigger growth in charged particle optics.

Observation of large-scale density cavities and parametric-decay instabilities in the high-altitude discrete auroral ionosphere under pulsed electromagnetic radiation.

PubMed

Wong, A Y; Chen, J; Lee, L C; Liu, L Y

2009-03-13

A large density cavity that measured 2000 km across and 500 km in height was observed by DEMETER and Formosat/COSMIC satellites in temporal and spatial relation to a new mode of propagation of electromagnetic (em) pulses between discrete magnetic field-aligned auroral plasmas to high altitudes. Recorded positive plasma potential from satellite probes is consistent with the expulsion of electrons in the creation of density cavities. High-frequency decay spectra support the concept of parametric instabilities fed by free energy sources.

Modeling of electron cyclotron resonance discharges

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

Meyyappan, M.; Govindan, T.R.

The current trend in plasma processing is the development of high density plasma sources to achieve high deposition and etch rates, uniformity over large ares, and low wafer damage. Here, is a simple model to predict the spatially-averaged plasma characteristics of electron cyclotron resonance (ECR) reactors is presented. The model consists of global conservation equations for species concentration, electron density and energy. A gas energy balance is used to predict the neutral temperature self-consistently. The model is demonstrated for an ECR argon discharge. The predicted behavior of the discharge as a function of system variables agrees well with experimental observations.

Electronic Structure of Fullerene Acceptors in Organic Bulk-Heterojunctions. A Combined EPR and DFT Study

DOE PAGES

Mardis, Kristy L.; Webb, J.; Holloway, Tarita; ...

2015-12-03

Organic photovoltaic (OPV) devices are a promising alternative energy source. Attempts to improve their performance have focused on the optimization of electron-donating polymers, while electron-accepting fullerenes have received less attention. Here, we report an electronic structure study of the widely used soluble fullerene derivatives PC61BM and PC71BM in their singly reduced state, that are generated in the polymer:fullerene blends upon light-induced charge separation. Density functional theory (DFT) calculations characterize the electronic structures of the fullerene radical anions through spin density distributions and magnetic resonance parameters. The good agreement of the calculated magnetic resonance parameters with those determined experimentally by advancedmore » electron paramagnetic resonance (EPR) allows the validation of the DFT calculations. Thus, for the first time, the complete set of magnetic resonance parameters including directions of the principal g-tensor axes were determined. For both molecules, no spin density is present on the PCBM side chain, and the axis of the largest g-value lies along the PCBM molecular axis. While the spin density distribution is largely uniform for PC61BM, it is not evenly distributed for PC71BM.« less

Density and fluence dependence of lithium cell damage and recovery characteristics

NASA Technical Reports Server (NTRS)

Faith, T. J.

1971-01-01

Experimental results on lithium-containing solar cells point toward the lithium donor density gradient dN sub L/dw as being the crucial parameter in the prediction of cell behavior after irradiation by electrons. Recovery measurements on a large number of oxygen-rich and oxygen-lean lithium cells have confirmed that cell recovery speed is directly proportional to the value of the lithium gradient for electron fluences. Gradient measurements have also been correlated with lithium diffusion schedules. Results have shown that long diffusion times (25 h) with a paint-on source result in large cell-to-cell variations in gradient, probably due to a loss of the lithium source with time.

Time-resolved cathodoluminescence microscopy with sub-nanosecond beam blanking for direct evaluation of the local density of states.

PubMed

Moerland, Robert J; Weppelman, I Gerward C; Garming, Mathijs W H; Kruit, Pieter; Hoogenboom, Jacob P

2016-10-17

We show cathodoluminescence-based time-resolved electron beam spectroscopy in order to directly probe the spontaneous emission decay rate that is modified by the local density of states in a nanoscale environment. In contrast to dedicated laser-triggered electron-microscopy setups, we use commercial hardware in a standard SEM, which allows us to easily switch from pulsed to continuous operation of the SEM. Electron pulses of 80-90 ps duration are generated by conjugate blanking of a high-brightness electron beam, which allows probing emitters within a large range of decay rates. Moreover, we simultaneously attain a resolution better than λ/10, which ensures details at deep-subwavelength scales can be retrieved. As a proof-of-principle, we employ the pulsed electron beam to spatially measure excited-state lifetime modifications in a phosphor material across the edge of an aluminum half-plane, coated on top of the phosphor. The measured emission dynamics can be directly related to the structure of the sample by recording photon arrival histograms together with the secondary-electron signal. Our results show that time-resolved electron cathodoluminescence spectroscopy is a powerful tool of choice for nanophotonics, within reach of a large audience.

Resonance of relativistic electrons with electromagnetic ion cyclotron waves

DOE PAGES

Denton, R. E.; Jordanova, V. K.; Bortnik, J.

2015-06-29

Relativistic electrons have been thought to more easily resonate with electromagnetic ion cyclotron EMIC waves if the total density is large. We show that, for a particular EMIC mode, this dependence is weak due to the dependence of the wave frequency and wave vector on the density. A significant increase in relativistic electron minimum resonant energy might occur for the H band EMIC mode only for small density, but no changes in parameters significantly decrease the minimum resonant energy from a nominal value. The minimum resonant energy depends most strongly on the thermal velocity associated with the field line motionmore » of the hot ring current protons that drive the instability. High density due to a plasmasphere or plasmaspheric plume could possibly lead to lower minimum resonance energy by causing the He band EMIC mode to be dominant. We demonstrate these points using parameters from a ring current simulation.« less

Characterizing Bonding Patterns in Diradicals and Triradicals by Density-Based Wave Function Analysis: A Uniform Approach.

PubMed

Orms, Natalie; Rehn, Dirk R; Dreuw, Andreas; Krylov, Anna I

2018-02-13

Density-based wave function analysis enables unambiguous comparisons of the electronic structure computed by different methods and removes ambiguity of orbital choices. We use this tool to investigate the performance of different spin-flip methods for several prototypical diradicals and triradicals. In contrast to previous calibration studies that focused on energy gaps between high- and low spin-states, we focus on the properties of the underlying wave functions, such as the number of effectively unpaired electrons. Comparison of different density functional and wave function theory results provides insight into the performance of the different methods when applied to strongly correlated systems such as polyradicals. We show that canonical molecular orbitals for species like large copper-containing diradicals fail to correctly represent the underlying electronic structure due to highly non-Koopmans character, while density-based analysis of the same wave function delivers a clear picture of the bonding pattern.

Ponderomotive perturbations of low density low-temperature plasma under laser Thomson scattering diagnostics

NASA Astrophysics Data System (ADS)

Shneider, Mikhail N.

2017-10-01

The ponderomotive perturbation in the interaction region of laser radiation with a low density and low-temperature plasma is considered. Estimates of the perturbation magnitude are determined from the plasma parameters, geometry, intensity, and wavelength of laser radiation. It is shown that ponderomotive perturbations can lead to large errors in the electron density when measured using Thomson scattering.

Parametrically Optimized Carbon Nanotube-Coated Cold Cathode Spindt Arrays

PubMed Central

Yuan, Xuesong; Cole, Matthew T.; Zhang, Yu; Wu, Jianqiang; Milne, William I.; Yan, Yang

2017-01-01

Here, we investigate, through parametrically optimized macroscale simulations, the field electron emission from arrays of carbon nanotube (CNT)-coated Spindts towards the development of an emerging class of novel vacuum electron devices. The present study builds on empirical data gleaned from our recent experimental findings on the room temperature electron emission from large area CNT electron sources. We determine the field emission current of the present microstructures directly using particle in cell (PIC) software and present a new CNT cold cathode array variant which has been geometrically optimized to provide maximal emission current density, with current densities of up to 11.5 A/cm2 at low operational electric fields of 5.0 V/μm. PMID:28336845

Stable glow discharge detector

DOEpatents

Koo, Jackson C.; Yu, Conrad M.

2004-05-18

A highly sensitive electronic ion cell for the measurement of trace elements in He carrier gas which involves glow discharge. A constant wave (CW) stable glow discharge detector which is controlled through a biased resistor, can detect the change of electron density caused by impurities in the He carrier gas by many orders of magnitude larger than that caused by direct ionization or electron capture. The stable glow discharge detector utilizes a floating pseudo-electrode to form a probe in or near the plasma and a solid rod electrode. By using this probe, the large variation of electron density due to trace amounts of impurities can be directly measured. The solid rod electrode provides greater stability and thus easier alignment.

Statistics of excitations in the electron glass model

NASA Astrophysics Data System (ADS)

Palassini, Matteo

2011-03-01

We study the statistics of elementary excitations in the classical electron glass model of localized electrons interacting via the unscreened Coulomb interaction in the presence of disorder. We reconsider the long-standing puzzle of the exponential suppression of the single-particle density of states near the Fermi level, by measuring accurately the density of states of charged and electron-hole pair excitations via finite temperature Monte Carlo simulation and zero-temperature relaxation. We also investigate the statistics of large charge rearrangements after a perturbation of the system, which may shed some light on the slow relaxation and glassy phenomena recently observed in a variety of Anderson insulators. In collaboration with Martin Goethe.

Electron Excitation of High Dipole Moment Molecules

NASA Astrophysics Data System (ADS)

Goldsmith, Paul; Kauffmann, Jens

2018-01-01

Emission from high-dipole moment molecules such as HCN allows determination of the density in molecular clouds, and is often considered to trace the “dense” gas available for star formation. We assess the importance of electron excitation in various environments. The ratio of the rate coefficients for electrons and H2 molecules, ~10^5 for HCN, yields the requirements for electron excitation to be of practical importance if n(H2) < 10^{5.5} /cm3 and X(e-) > 10^{-5}, where the numerical factors reflect critical values n_c(H2) and X^*(e-). This indicates that in regions where a large fraction of carbon is ionized, X(e-) will be large enough to make electron excitation significant. The situation is in general similar for other “high density tracers”, including HCO+, CN, and CS. But there are significant differences in the critical electron fractional abundance, X^*(e-), defined by the value required for equal effect from collisions with H2 and e-. Electron excitation is, for example, unimportant for CO and C+. Electron excitation may be responsible for the surprisingly large spatial extent of the emission from dense gas tracers in some molecular clouds (Pety et al. 2017, Kauffmann, Goldsmith et al. 2017, A&A, submitted). The enhanced estimates for HCN abundances and HCN/CO and HCN/HCO+ ratios observed in the nuclear regions of luminous galaxies may be in part a result of electron excitation of high dipole moment tracers. The importance of electron excitation will depend on detailed models of the chemistry, which may well be non-steady state and non--static.

Experimental observations of nonlinearly enhanced 2omega-UH electromagnetic radiation excited by steady-state colliding electron beams

NASA Technical Reports Server (NTRS)

Intrator, T.; Hershkowitz, N.; Chan, C.

1984-01-01

Counterstreaming large-diameter electron beams in a steady-state laboratory experiment are observed to generate transverse radiation at twice the upper-hybrid frequency (2omega-UH) with a quadrupole radiation pattern. The electromagnetic wave power density is nonlinearly enhanced over the power density obtained from a single beam-plasma system. Electromagnetic power density scales exponentially with beam energy and increases with ion mass. Weak turbulence theory can predict similar (but weaker) beam energy scaling but not the high power density, or the predominance of the 2omega-UH radiation peak over the omega-UH peak. Significant noise near the upper-hybrid and ion plasma frequencies is also measured, with normalized electrostatic wave energy density W(ES)/n(e)T(e) approximately 0.01.

A phase contrast imaging–interferometer system for detection of multiscale electron density fluctuations on DIII-D

DOE PAGES

Davis, E. M.; Rost, J. C.; Porkolab, M.; ...

2016-08-15

Heterodyne interferometry and phase contrast imaging (PCI) are robust, mature techniques for measuring low-k and high-k electron density fluctuations, respectively. Here, we describe the first-ever implementation of a combined PCI-interferometer. The combined system uses a single 10:6 μm probe beam, two interference schemes, and two detectors to measure electron density uctuations at large spatiotemporal bandwidth (10 kHz < f < 5MHz and 0 cm -1 ≤ k ≤ 20 cm -1), allowing simultaneous measurement of ion- and electron-scale instabilities. Further, correlating our interferometer's measurements with those from DIII-D's pre-existing, toroidally separated interferometer allows core-localized, low-n MHD studies that may otherwisemore » be inaccessible via external magnetic measurements. In the combined diagnostic's small port requirements and minimal access restrictions make it well-suited to the harsh neutron environments and limited port space expected in next-step devices.« less

A phase contrast imaging-interferometer system for detection of multiscale electron density fluctuations on DIII-D

NASA Astrophysics Data System (ADS)

Davis, E. M.; Rost, J. C.; Porkolab, M.; Marinoni, A.; Van Zeeland, M. A.

2016-11-01

Heterodyne interferometry and phase contrast imaging (PCI) are robust, mature techniques for measuring low-k and high-k electron density fluctuations, respectively. This work describes the first-ever implementation of a combined PCI-interferometer. The combined system uses a single 10.6 μm probe beam, two interference schemes, and two detectors to measure electron density fluctuations at large spatiotemporal bandwidth (10 kHz

Calculation of gyrosynchrotron radiation brightness temperature for outer bright loop of ICME

NASA Astrophysics Data System (ADS)

Sun, Weiying; Wu, Ji; Wang, C. B.; Wang, S.

:Solar polar orbit radio telescope (SPORT) is proposed to detect the high density plasma clouds of outer bright loop of ICMEs from solar orbit with large inclination. Of particular interest is following the propagation of the plasma clouds with remote sensor in radio wavelength band. Gyrosynchrotron emission is a main radio radiation mechanism of the plasma clouds and can provide information of interplanetary magnetic field. In this paper, we statistically analyze the electron density, electron temperature and magnetic field of background solar wind in time of quiet sun and ICMEs propagation. We also estimate the fluctuation range of the electron density, electron temperature and magnetic field of outer bright loop of ICMEs. Moreover, we calculate and analyze the emission brightness temperature and degree of polarization on the basis of the study of gyrosynchrotron emission, absorption and polarization characteristics as the optical depth is less than or equal to 1.

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

Pratapa, Phanisri P.; Suryanarayana, Phanish; Pask, John E.

We present the Clenshaw–Curtis Spectral Quadrature (SQ) method for real-space O(N) Density Functional Theory (DFT) calculations. In this approach, all quantities of interest are expressed as bilinear forms or sums over bilinear forms, which are then approximated by spatially localized Clenshaw–Curtis quadrature rules. This technique is identically applicable to both insulating and metallic systems, and in conjunction with local reformulation of the electrostatics, enables the O(N) evaluation of the electronic density, energy, and atomic forces. The SQ approach also permits infinite-cell calculations without recourse to Brillouin zone integration or large supercells. We employ a finite difference representation in order tomore » exploit the locality of electronic interactions in real space, enable systematic convergence, and facilitate large-scale parallel implementation. In particular, we derive expressions for the electronic density, total energy, and atomic forces that can be evaluated in O(N) operations. We demonstrate the systematic convergence of energies and forces with respect to quadrature order as well as truncation radius to the exact diagonalization result. In addition, we show convergence with respect to mesh size to established O(N 3) planewave results. In conclusion, we establish the efficiency of the proposed approach for high temperature calculations and discuss its particular suitability for large-scale parallel computation.« less

Progress of recent experimental research on the J-TEXT tokamak

NASA Astrophysics Data System (ADS)

Zhuang, G.; Gentle, K. W.; Chen, Z. Y.; Chen, Z. P.; Yang, Z. J.; Zheng, Wei; Hu, Q. M.; Chen, J.; Rao, B.; Zhong, W. L.; Zhao, K. J.; Gao, L.; Cheng, Z. F.; Zhang, X. Q.; Wang, L.; Jiang, Z. H.; Xu, T.; Zhang, M.; Wang, Z. J.; Ding, Y. H.; Yu, K. X.; Hu, X. W.; Pan, Y.; Huang, H.; the J-TEXT Team

2017-10-01

The progress of experimental research over the last two years on the J-TEXT tokamak is reviewed and reported in this paper, including: investigations of resonant magnetic perturbations (RMPs) on the J-TEXT operation region show that moderate amplitude of applied RMPs either increases the density limit from less than 0.7n G to 0.85n G (n G is the Greenwald density, {{n}\\text{G}}={{I}\\text{p}}/π {{a}2} ) or lowers edge safety factor q a from 2.15 to nearly 2.0; observations of influence of RMPs with a large m/n  =  3/1 dominant component (where m and n are the toroidal and poloidal mode numbers respectively) on electron density indicate electron density first increases (decreases) inside (around/outside) of the 3/1 rational surface, and it is increased globally later together with enhanced edge recycling; investigations of the effect of RMPs on the behavior of runaway electrons/current show that application of RMPs with m/n  =  2/1 dominant component during disruptions can reduce runaway production. Furthermore, its application before the disruption can reduce both the amplitude and the length of runaway current; experimental results in the high-density disruption plasmas confirm that local current shrinkage during a multifaceted asymmetric radiation from the edge can directly terminate the discharge; measurements by a multi-channel Doppler reflectometer show that the quasi-coherent modes in the electron diamagnetic direction occur in the J-TEXT ohmic confinement regime in a large plasma region (r/a ~ 0.3-0.8) with frequency of 30-140 kHz.

Ion extraction from a plasma

NASA Technical Reports Server (NTRS)

Aston, G.; Wilbur, P. J.

1981-01-01

The physical processes governing ion extraction from a plasma have been examined experimentally. The screen hole plasma sheath (the transition region wherein significant ion acceleration and complete electron retardation occurs) has been defined by equipotential plots for a variety of ion accelerator system geometries and operating conditions. It was found that the screen hole plasma sheath extends over a large distance, and influences ion and electron trajectories at least 15 Debye lengths within the discharge chamber. The electron density variation within the screen hole plasma sheath satisfied a Maxwell-Boltzmann density distribution at an effective electron temperature dependent on the discharge plasma primary-to-Maxwellian electron density ratio. Plasma ion flow up to and through the sheath was predominantly one-dimensional, and the ions entered the sheath region with a modified Bohm velocity. Low values of the screen grid thickness to screen hole diameter ratio were found to give good ion focusing and high extracted ion currents because of the effect of screen webbing on ion focusing.

Electronic structure of stoichiometric and reduced ZnO from periodic relativistic all electron hybrid density functional calculations using numeric atom-centered orbitals.

PubMed

Viñes, Francesc; Illas, Francesc

2017-03-30

The atomic and electronic structure of stoichiometric and reduced ZnO wurtzite has been studied using a periodic relativistic all electron hybrid density functional (PBE0) approach and numeric atom-centered orbital basis set with quality equivalent to aug-cc-pVDZ. To assess the importance of relativistic effects, calculations were carried out without and with explicit inclusion of relativistic effects through the zero order regular approximation. The calculated band gap is ∼0.2 eV smaller than experiment, close to previous PBE0 results including relativistic calculation through the pseudopotential and ∼0.25 eV smaller than equivalent nonrelativistic all electron PBE0 calculations indicating possible sources of error in nonrelativistic all electron density functional calculations for systems containing elements with relatively high atomic number. The oxygen vacancy formation energy converges rather fast with the supercell size, the predicted value agrees with previously hybrid density functional calculations and analysis of the electronic structure evidences the presence of localized electrons at the vacancy site with a concomitant well localized peak in the density of states ∼0.5 eV above the top of the valence band and a significant relaxation of the Zn atoms near to the oxygen vacancy. Finally, present work shows that accurate results can be obtained in systems involving large supercells containing up to ∼450 atoms using a numeric atomic-centered orbital basis set within a full all electron description including scalar relativistic effects at an affordable cost. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Density of Trap States and Auger-mediated Electron Trapping in CdTe Quantum-Dot Solids.

PubMed

Boehme, Simon C; Azpiroz, Jon Mikel; Aulin, Yaroslav V; Grozema, Ferdinand C; Vanmaekelbergh, Daniël; Siebbeles, Laurens D A; Infante, Ivan; Houtepen, Arjan J

2015-05-13

Charge trapping is an ubiquitous process in colloidal quantum-dot solids and a major limitation to the efficiency of quantum dot based devices such as solar cells, LEDs, and thermoelectrics. Although empirical approaches led to a reduction of trapping and thereby efficiency enhancements, the exact chemical nature of the trapping mechanism remains largely unidentified. In this study, we determine the density of trap states in CdTe quantum-dot solids both experimentally, using a combination of electrochemical control of the Fermi level with ultrafast transient absorption and time-resolved photoluminescence spectroscopy, and theoretically, via density functional theory calculations. We find a high density of very efficient electron traps centered ∼0.42 eV above the valence band. Electrochemical filling of these traps increases the electron lifetime and the photoluminescence quantum yield by more than an order of magnitude. The trapping rate constant for holes is an order of magnitude lower that for electrons. These observations can be explained by Auger-mediated electron trapping. From density functional theory calculations we infer that the traps are formed by dicoordinated Te atoms at the quantum dot surface. The combination of our unique experimental determination of the density of trap states with the theoretical modeling of the quantum dot surface allows us to identify the trapping mechanism and chemical reaction at play during charge trapping in these quantum dots.

Self-consistent calculations for the electronic structure of a vacancy in copper. A solution of the embedding problem

NASA Astrophysics Data System (ADS)

Zeller, R.; Braspenning, P. J.

1982-06-01

The charge density and the local density of states for a vacancy in Cu and for the first shell of Cu neighbours are calculated by the KKR-Green's function technique. The muffin-tin potentials for the vacancy and the neighbour shell atoms are determined self-consistently in the local density approximation of density functional theory. By the use of the proper host Green's function the embedding of this cluster of 13 perturbed muffin-tins into the infinite array of bulk Cu muffin-tin potentials is described rigorously, thus representing a solution of the embedding problem. The calculations demonstrate a rather large charge transfer of 1.1 electrons from the first neighbour shell to the vacancy.

Ionospheric response to 17 March 2013 geomagnetic storm identified by data assimilation result

NASA Astrophysics Data System (ADS)

Yue, Xinan; Zhao, Biqiang; Hu, Lianhuan; She, Chengli

2017-04-01

Based on slant total electron content (TEC) observations made by 10 satellites and 450 ground IGS GNSS stations, we constructed a 4-D ionospheric electron density reanalysis during the March 17, 2013 geomagnetic storm. Four main large-scale ionospheric disturbances are identified from reanalysis: (1) The positive storm during the initial phase; (2) The SED (storm enhanced density) structure in both northern and southern hemisphere; (3) The large positive storm in main phase; (4) The significant negative storm in middle and low latitude during recovery phase. We then run the NCAR-TIEGCM model with Heelis electric potential empirical model as polar input. The TIEGCM can reproduce 3 of 4 large-scale structures (except SED) very well. We then further analyzed the altitudinal variations of these large-scale disturbances and found several interesting things, such as the altitude variation of SED, the rotation of positive/negative storm phase with local time. Those structures could not be identified clearly by traditional used data sources, which either has no global coverage or no vertical resolution. The drivers such as neutral wind/density and electric field from TIEGCM simulations are also analyzed to self-consistently explain the identified disturbance features.

3D ELECTRON DENSITY DISTRIBUTIONS IN THE SOLAR CORONA DURING SOLAR MINIMA: ASSESSMENT FOR MORE REALISTIC SOLAR WIND MODELING

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

Patoul, Judith de; Foullon, Claire; Riley, Pete, E-mail: j.depatoul@exeter.ac.uk, E-mail: c.foullon@exeter.ac.uk, E-mail: rileype@saic.com

Knowledge of the electron density distribution in the solar corona put constraints on the magnetic field configurations for coronal modeling and on initial conditions for solar wind modeling. We work with polarized SOHO/LASCO-C2 images from the last two recent minima of solar activity (1996–1997 and 2008–2010), devoid of coronal mass ejections. The goals are to derive the 4D electron density distributions in the corona by applying a newly developed time-dependent tomographic reconstruction method and to compare the results between the two solar minima and with two magnetohydrodynamic models. First, we confirm that the values of the density distribution in thermodynamic models aremore » more realistic than in polytropic ones. The tomography provides more accurate distributions in the polar regions, and we find that the density in tomographic and thermodynamic solutions varies with the solar cycle in both polar and equatorial regions. Second, we find that the highest-density structures do not always correspond to the predicted large-scale heliospheric current sheet or its helmet streamer but can follow the locations of pseudo-streamers. We deduce that tomography offers reliable density distributions in the corona, reproducing the slow time evolution of coronal structures, without prior knowledge of the coronal magnetic field over a full rotation. Finally, we suggest that the highest-density structures show a differential rotation well above the surface depending on how they are magnetically connected to the surface. Such valuable information on the rotation of large-scale structures could help to connect the sources of the solar wind to their in situ counterparts in future missions such as Solar Orbiter and Solar Probe Plus.« less

GPU-Accelerated Large-Scale Electronic Structure Theory on Titan with a First-Principles All-Electron Code

NASA Astrophysics Data System (ADS)

Huhn, William Paul; Lange, Björn; Yu, Victor; Blum, Volker; Lee, Seyong; Yoon, Mina

Density-functional theory has been well established as the dominant quantum-mechanical computational method in the materials community. Large accurate simulations become very challenging on small to mid-scale computers and require high-performance compute platforms to succeed. GPU acceleration is one promising approach. In this talk, we present a first implementation of all-electron density-functional theory in the FHI-aims code for massively parallel GPU-based platforms. Special attention is paid to the update of the density and to the integration of the Hamiltonian and overlap matrices, realized in a domain decomposition scheme on non-uniform grids. The initial implementation scales well across nodes on ORNL's Titan Cray XK7 supercomputer (8 to 64 nodes, 16 MPI ranks/node) and shows an overall speed up in runtime due to utilization of the K20X Tesla GPUs on each Titan node of 1.4x, with the charge density update showing a speed up of 2x. Further acceleration opportunities will be discussed. Work supported by the LDRD Program of ORNL managed by UT-Battle, LLC, for the U.S. DOE and by the Oak Ridge Leadership Computing Facility, which is a DOE Office of Science User Facility supported under Contract DE-AC05-00OR22725.

A molecular shift register based on electron transfer

NASA Technical Reports Server (NTRS)

Hopfield, J. J.; Onuchic, Josenelson; Beratan, David N.

1988-01-01

An electronic shift-register memory at the molecular level is described. The memory elements are based on a chain of electron-transfer molecules and the information is shifted by photoinduced electron-transfer reactions. This device integrates designed electronic molecules onto a very large scale integrated (silicon microelectronic) substrate, providing an example of a 'molecular electronic device' that could actually be made. The design requirements for such a device and possible synthetic strategies are discussed. Devices along these lines should have lower energy usage and enhanced storage density.

Electric potential distributions at the interface between plasmasheet clouds

NASA Technical Reports Server (NTRS)

Evans, D. S.; Roth, M.; Lemaire, J.

1987-01-01

At the interface between two plasma clouds with different densities, temperatures, and/or bulk velocities, there are large charge separation electric fields which can be modeled in the framework of a collisionless theory for tangential discontinuities. Two different classes of layers were identified: the first one corresponds to (stable) ion layers which are thicker than one ion Lamor radius; the second one corresponds to (unstable) electron layers which are only a few electron Larmor radii thick. It is suggested that these thin electron layers with large electric potential gradients (up to 400 mV/m) are the regions where large-amplitude electrostatic waves are spontaneously generated. These waves scatter the pitch angles of the ambient plasmasheet electron into the atmospheric loss cone. The unstable electron layers can therefore be considered as the seat of strong pitch angle scattering for the primary auroral electrons.

Experimental and numerical investigations of air plasmas induced by multi-MeV pulsed X-ray from low to atmospheric pressures

NASA Astrophysics Data System (ADS)

Maulois, Mélissa; Ribière, Maxime; Eichwald, Olivier; Yousfi, Mohammed; Pouzalgues, Romain; Garrigues, Alain; Delbos, Christophe; Azaïs, Bruno

2016-09-01

This research work is devoted to the experimental and theoretical analysis of air plasmas induced by multi-MeV pulsed X-ray for a large pressure range of humid air background gas varying from 20 mbar to atmospheric pressure. The time evolution of the electron density of the air plasma is determined by electromagnetic wave absorption measurements. The measurements have uncertainties of about ±30%, taking into account the precision of the dose measurement and also the shot to shot fluctuations of the generator. The experimental electron density is obtained by comparing the measurements of the transmitted microwave signals to the calculated ones. The calculations need the knowledge of the time evolution of the electron mean energy, which is determined by a chemical kinetic model based on a reaction scheme involving 39 species interacting following 265 reactions. During the X-ray pulse, a good agreement is obtained between time evolution of the electron density obtained from absorption measurements and calculations based on the kinetic model. The relative deviation on the maximum electron density and the corresponding plasma frequency is always lower than 10%. The maximum electron density varies from 4 × 1011 to 3.5 × 1013 cm-3 between 30 mbar to atmospheric pressure, while the peak of the electron mean energy decreases from 5.64 eV to 4.27 eV in the same pressure range.

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

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

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

2015-01-14

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

Generalized-active-space pair-density functional theory: an efficient method to study large, strongly correlated, conjugated systems.

PubMed

Ghosh, Soumen; Cramer, Christopher J; Truhlar, Donald G; Gagliardi, Laura

2017-04-01

Predicting ground- and excited-state properties of open-shell organic molecules by electronic structure theory can be challenging because an accurate treatment has to correctly describe both static and dynamic electron correlation. Strongly correlated systems, i.e. , systems with near-degeneracy correlation effects, are particularly troublesome. Multiconfigurational wave function methods based on an active space are adequate in principle, but it is impractical to capture most of the dynamic correlation in these methods for systems characterized by many active electrons. We recently developed a new method called multiconfiguration pair-density functional theory (MC-PDFT), that combines the advantages of wave function theory and density functional theory to provide a more practical treatment of strongly correlated systems. Here we present calculations of the singlet-triplet gaps in oligoacenes ranging from naphthalene to dodecacene. Calculations were performed for unprecedently large orbitally optimized active spaces of 50 electrons in 50 orbitals, and we test a range of active spaces and active space partitions, including four kinds of frontier orbital partitions. We show that MC-PDFT can predict the singlet-triplet splittings for oligoacenes consistent with the best available and much more expensive methods, and indeed MC-PDFT may constitute the benchmark against which those other models should be compared, given the absence of experimental data.

The electronic structures and work functions of (100) surface of typical binary and doped REB6 single crystals

NASA Astrophysics Data System (ADS)

Liu, Hongliang; Zhang, Xin; Xiao, Yixin; Zhang, Jiuxing

2018-03-01

The density function theory been used to calculate the electronic structures of binary and doped rare earth hexaborides (REB6), which exhibits the large density of states (DOS) near Fermi level. The d orbital elections of RE element contribute the electronic states of election emission near the Fermi level, which imply that the REB6 (RE = La, Ce, Gd) with wide distribution of high density d orbital electrons could provide a lower work function and excellent emission properties. Doping RE elements into binary REB6 can adjust DOS and the position of the Fermi energy level. The calculated work functions of considered REB6 (100) surface show that the REB6 (RE = La, Ce, Gd) have lower work function and doping RE elements with active d orbital electrons can significantly reduce work function of binary REB6. The thermionic emission test results are basically accordant with the calculated value, proving the first principles calculation could provide a good theoretical guidance for the study of electron emission properties of REB6.

Rapid temporal evolution of radiation from non-thermal electrons in solar flares

NASA Technical Reports Server (NTRS)

Lu, Edward T.; Petrosian, Vahe

1987-01-01

Solutions of the time dependent Fokker-Planck equation was found for accelerated electrons undergoing Coulomb collisions in a magnetized, fully ionized plasma. An exact solution was found for arbitrary pitch angle and energy distribution in a uniform background plasma. Then, for an inhomogeneous plasma, a solution was found for particles with small pitch angles. These solutions were used to calculate the temporal evolution of bremsstrahlung x-rays from short bursts of nonthermal electron beams, and these spectra were compared with observed high time resolution spectra of short timescale solar hard x-ray bursts. It is shown that the observed softening in time of the spectra rules out a homogeneous background and therefore the possibility of electrons being confined to the corona either because of converging magnetic field or high densities. The inhomogeneous solution was also applied to a model with constant coronal density and exponentially rising chromospheric density. The spectra are shown to be consistent with that produced by a collimated beam of electrons accelerated in the corona with certain given conditions. These conditions could be violated if large pitch angle electrons are present.

Large-aperture plasma-assisted deposition of inertial confinement fusion laser coatings.

PubMed

Oliver, James B; Kupinski, Pete; Rigatti, Amy L; Schmid, Ansgar W; Lambropoulos, John C; Papernov, Semyon; Kozlov, Alexei; Spaulding, John; Sadowski, Daniel; Chrzan, Z Roman; Hand, Robert D; Gibson, Desmond R; Brinkley, Ian; Placido, Frank

2011-03-20

Plasma-assisted electron-beam evaporation leads to changes in the crystallinity, density, and stresses of thin films. A dual-source plasma system provides stress control of large-aperture, high-fluence coatings used in vacuum for substrates 1m in aperture.

Decoupling electron and ion storage and the path from interfacial storage to artificial electrodes

NASA Astrophysics Data System (ADS)

Chen, Chia-Chin; Maier, Joachim

2018-02-01

The requirements for rechargeable batteries place high demands on the electrodes. Efficient storage means accommodating both ions and electrons, not only in substantial amounts, but also with substantial velocities. The materials' space could be largely extended by decoupling the roles of ions and electrons such that transport and accommodation of ions take place in one phase of a composite, and transport and accommodation of electrons in the other phase. Here we discuss this synergistic concept being equally applicable for positive and negative electrodes along with examples from the literature for Li-based and Ag-based cells. Not only does the concept have the potential to mitigate the trade-off between power density and energy density, it also enables a generalized view of bulk and interfacial storage as necessary for nanocrystals. It furthermore allows for testable predictions of heterogeneous storage in passivation layers, dependence of transfer resistance on the state of charge, or heterogeneous storage of hydrogen at appropriate contacts. We also present an outlook on constructing artificial mixed-conductor electrodes that have the potential to achieve both high energy density and high power density.

Structure and dynamics of the umagnetized plasma around comet 67P/CG

NASA Astrophysics Data System (ADS)

Henri, P.; Vallières, X.; Gilet, N.; Hajra, R.; Moré, J.; Goetz, C.; Richter, I.; Glassmeier, K. H.; Galand, M. F.; Heritier, K. L.; Eriksson, A. I.; Nemeth, Z.; Tsurutani, B.; Rubin, M.; Altwegg, K.

2016-12-01

At distances close enough to the Sun, when comets are characterised by a significant outgassing, the cometary neutral density may become large enough for both the cometary plasma and the cometary gas to be coupled, through ion-neutral and electron-neutral collisions. This coupling enables the formation of an unmagnetised expanding cometary ionosphere around the comet nucleus, also called diamagnetic cavity, within which the solar wind magnetic field cannot penetrate. The instruments of the Rosetta Plasma Consortium (RPC), onboard the Rosetta Orbiter, enable us to better constrain the structure, dynamics and stability of the plasma around comet 67P/CG. Recently, magnetic field measurements (RPC-MAG) have shown the existence of such a diamagnetic region around comet 67P/CG [Götz et al., 2016]. Contrary to a single, large scale, diamagnetic cavity such as what was observed around comet Halley, Rosetta have crossed several diamagnetic structures along its trajectory around comet 67P/CG. Using electron density measurements from the Mutual Impedance Probe (RPC-MIP) during the different diamagnetic cavity crossings, identified by the flux gate magnetometer (RPC-MAG), we map the unmagnetised plasma density around comet 67P/CG. Our aims is to better constrain the structure, dynamics and stability of this inner cometary plasma layer characterised by cold electrons (as witnessed by the Langmuir Probes RPC-LAP). The ionisation ratio in these unmagnetised region(s) is computed from the measured electron (RPC-MIP) and neutral gas (ROSINA/COPS) densities. In order to assess the importance of solar EUV radiation as a source of ionisation, the observed electron density will be compared to a the density expected from an ionospheric model taking into account solar radiation absorption. The crossings of diamagnetic region(s) by Rosetta show that the unmagnetised cometary plasma is particularly homogeneous, compared to the highly dynamical magnetised plasma observed in adjacent magnetised regions. Moreover, during the crossings of multiple, successive diamagnetic region(s) over time scales of tens of minutes or hours, the plasma density is almost identical in the different unmagnetised regions, suggesting that these unmagnetised regions may be a single diamagnetic structure crossed several times by Rosetta.

Fast-ion transport in low density L-mode plasmas at TCV using FIDA spectroscopy and the TRANSP code

NASA Astrophysics Data System (ADS)

Geiger, B.; Karpushov, A. N.; Duval, B. P.; Marini, C.; Sauter, O.; Andrebe, Y.; Testa, D.; Marascheck, M.; Salewski, M.; Schneider, P. A.; the TCV Team; the EUROfusion MST1 Team

2017-11-01

Experiments with the new neutral beam injection source of TCV have been performed with high fast-ion fractions (>20%) that exhibit a clear reduction of the loop voltage and a clear increase of the plasma pressure in on- and off-axis heating configurations. However, good quantitative agreement between the experimental data and TRANSP predictions is only found when including strong additional fast-ion losses. These losses could in part be caused by turbulence or MHD activity as, e.g. high frequency modes near the frequency of toroidicity induced Alfvén eignmodes are observed. In addition, a newly installed fast-ion D-alpha (FIDA) spectroscopy system measures strong passive radiation and, hence, indicates the presence of high background neutral densities such that charge-exchange losses are substantial. Also the active radiation measured with the FIDA diagnostic, as well as data from a neutral particle analyzer, suggest strong fast-ion losses and large neutral densities. The large neutral densities can be justified since high electron temperatures (3-4 keV), combined with low electron densities (about 2× {10}19 m-3) yield long mean free paths of the neutrals which are penetrating from the walls.

Theoretical calculations of positron annihilation characteristics in inorganic solids -- Recent advances and problems

NASA Astrophysics Data System (ADS)

Sob, M.; Sormann, H.; Kuriplach, J.

Principles and applications of positron annihilation spectroscopy to electronic structure and defect studies are briefly reviewed and some recent advances and pending problems are illustrated by specific examples. In particular, it turns out that the sensitivity of calculated momentum densities of electron-positron annihilation pairs (MDAP) to the choice of electron crystal potential is higher or comparable to its sensitivity with respect to the choice of description of the electron-positron interaction. As a result, it is very hard to distinguish between various electron-positron interaction theories on the basis of the comparison of theoretical and experimental MDAPs. Furthermore, the positron affinity is determined theorttically for several systems having a band gap (semiconductors, insulators). It appears that the calculated positron affinities are significantly underestimated when compared to experimental data and, apparently, electron-positron interactions in such systems are not described satisfactorily by contemporary theoretical approaches. The above examples are related rather to electronic structure studies, but positrons are often used to investigate various open-volume defects in solids, which is dealt with in the last illustration. A non-selfconsistent computational technique suitable for the theoretical examination of configurations having large number (thousands) of non-equivalent atoms has been updated recently to treat non-periodic solids. It is based on the superposition of atomic densities in order to approximate the electronic density of the system studied. Though the charge redistribution due to selfconsistency effects is neglected, positron annihilation characteristics are determined quite reasonably. This allows for studying properties of extended defects like grain boundaries (and other interfaces), dislocations, precipitates, etc., which is very helpful when interpreting experimental positron annihilation data. Our technique is demonstrated for the case of nanocrystalline Ni where realistic atomic configurations are taken from large-scale molecular dynamics simulations.

Beam energy spread in FERMI@elettra gun and linac induced by intrabeam scattering

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

Zholents, Alexander A; Zholents, Alexander A; Zolotorev, Max S.

Intrabeam scattering (IBS) of electrons in the pre-cathode area in the electron guns know in the literature as Boersh effect is responsible for a growth of the electron beam energy spread there. Albeit most visible within the electron gun where the electron beam density is large and the energy spread is small, the IBS acts all along the entire electron beam pass through the Linac. In this report we calculate the energy spread induced by IBS in the FERMI@elettra electron gun.

Changes in the High-Latitude Topside Ionospheric Vertical Electron-Density Profiles in Response to Solar-Wind Perturbations During Large Magnetic Storms

NASA Technical Reports Server (NTRS)

Benson, Robert F.; Fainberg, Joseph; Osherovich, Vladimir; Truhlik, Vladimir; Wang, Yongli; Arbacher, Becca

2011-01-01

The latest results from an investigation to establish links between solar-wind and topside-ionospheric parameters will be presented including a case where high-latitude topside electron-density Ne(h) profiles indicated dramatic rapid changes in the scale height during the main phase of a large magnetic storm (Dst < -200 nT). These scale-height changes suggest a large heat input to the topside ionosphere at this time. The topside profiles were derived from ISIS-1 digital ionograms obtained from the NASA Space Physics Data Facility (SPDF) Coordinated Data Analysis Web (CDA Web). Solar-wind data obtained from the NASA OMNIWeb database indicated that the magnetic storm was due to a magnetic cloud. This event is one of several large magnetic storms being investigated during the interval from 1965 to 1984 when both solar-wind and digital topside ionograms, from either Alouette-2, ISIS-1, or ISIS-2, are potentially available.

Metal-insulator transition in AlxGa1-xAs/GaAs heterostructures with large spacer width

NASA Astrophysics Data System (ADS)

Gold, A.

1991-10-01

Analytical results are presented for the mobility of a two-dimensional electron gas in a heterostructure with a thick spacer layer α. Due to multiple-scattering effects a metal-insulator transition occurs at a critical electron density Nc=N1/2i/(4π1/2α) (Ni is the impurity density). The transport mean free path l(t) (calculated in Born approximation) at the metal-insulator transition is l(t)c=2α. A localization criterion in terms of the renormalized single-particle mean free path l(sr) is presented: kFcl(sr)c=(1/2)1/2 (kFc is the Fermi wave number at the critical density). I compare the theoretical results with recent experimental results found in AlxGa1-xAs/GaAs heterostructures with large spacer width: 1200<α<2800 Å. Remote impurity doping and homogeneous background doping are considered. The only fitting parameter used for the theoretical results is the background doping density NB=6×1013 cm-3. My theory is in fair agreement with the experimental results.

Can amorphization take place in nanoscale interconnects?

PubMed

Kumar, S; Joshi, K L; van Duin, A C T; Haque, M A

2012-03-09

The trend of miniaturization has highlighted the problems of heat dissipation and electromigration in nanoelectronic device interconnects, but not amorphization. While amorphization is known to be a high pressure and/or temperature phenomenon, we argue that defect density is the key factor, while temperature and pressure are only the means. For nanoscale interconnects carrying modest current density, large vacancy concentrations may be generated without the necessity of high temperature or pressure due to the large fraction of grain boundaries and triple points. To investigate this hypothesis, we performed in situ transmission electron microscope (TEM) experiments on 200 nm thick (80 nm average grain size) aluminum specimens. Electron diffraction patterns indicate partial amorphization at modest current density of about 10(5) A cm(-2), which is too low to trigger electromigration. Since amorphization results in drastic decrease in mechanical ductility as well as electrical and thermal conductivity, further increase in current density to about 7 × 10(5) A cm(-2) resulted in brittle fracture failure. Our molecular dynamics (MD) simulations predict the formation of amorphous regions in response to large mechanical stresses (due to nanoscale grain size) and excess vacancies at the cathode side of the thin films. The findings of this study suggest that amorphization can precede electromigration and thereby play a vital role in the reliability of micro/nanoelectronic devices.

On Spatial Structuring of the F2 Layer Studied by the Satellite Radio Sounding of the Ionosphere Disturbed by High-Power HF Radio Waves

NASA Astrophysics Data System (ADS)

Tereshchenko, E. D.; Turyansky, V. A.; Khudukon, B. Z.; Yurik, R. Yu.; Frolov, V. L.

2018-01-01

We present the results of studying the characteristics of the artificial plasma structures excited in the ionospheric F2 region modified by high-power HF radio waves. The experiments were carried out at the Sura heating facility using satellite radio sounding of the ionosphere. The plasma density profile was reconstructed with the highest possible spatial resolution for today, about 4 km. In a direction close to the magnetic zenith of the pump wave, the following phenomena were observed: the formation of a cavity with a 15% lower plasma density at the altitudes of the F2 layer and below; the formation of an area with plasma density increased by 12% at altitudes greater than 400 km. With a long-term quasiperiodic impact of the pump wave on the ionosphere, wavy large-scale electron-density perturbations (the meridional scale λx ≈ 130 km and the vertical scale λz ≈ 440 km) are also formed above the Sura facility. These perturbations can be due to the plasma density modulation by an artificial acoustic-gravity wave with a period of 10.6 m, which was formed by the heat source inside a large-scale cavity with low plasma density; there is generation of the electron density irregularities for the electrons with ΔNe/Ne ≈ 3% in the form of layers having the sizes 10-12 km along and about 24 km across the geomagnetic field, which are found both below and above the F2-layer maximum. The mechanisms of the formation of these plasma structures are discussed.

Density-Gradient-Driven trapped-electron-modes in improved-confinement RFP plasmas

NASA Astrophysics Data System (ADS)

Duff, James

2016-10-01

Short wavelength density fluctuations in improved-confinement MST plasmas exhibit multiple features characteristic of the trapped-electron-mode (TEM), strong evidence that drift wave turbulence emerges in RFP plasmas when transport associated with MHD tearing is reduced. Core transport in the RFP is normally governed by magnetic stochasticity stemming from long wavelength tearing modes that arise from current profile peaking. Using inductive control, the tearing modes are reduced and global confinement is increased to values expected for a comparable tokamak plasma. The improved confinement is associated with a large increase in the pressure gradient that can destabilize drift waves. The measured density fluctuations have frequencies >50 kHz, wavenumbers k_phi*rho_s<0.14, and propagate in the electron drift direction. Their spectral emergence coincides with a sharp decrease in fluctuations associated with global tearing modes. Their amplitude increases with the local density gradient, and they exhibit a density-gradient threshold at R/L_n 15, higher than in tokamak plasmas by R/a. the GENE code, modified for RFP equilibria, predicts the onset of microinstability for these strong-gradient plasma conditions. The density-gradient-driven TEM is the dominant instability in the region where the measured density fluctuations are largest, and the experimental threshold-gradient is close to the predicted critical gradient for linear stability. While nonlinear analysis shows a large Dimits shift associated with predicted strong zonal flows, the inclusion of residual magnetic fluctuations causes a collapse of the zonal flows and an increase in the predicted transport to a level close to the experimentally measured heat flux. Similar circumstances could occur in the edge region of tokamak plasmas when resonant magnetic perturbations are applied for the control of ELMs. Work supported by US DOE.

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.

Radial Profiles of the Plasma Electron Characteristics in a 30 kW Arc Jet

NASA Technical Reports Server (NTRS)

Codron, Douglas A.; Nawaz, Anuscheh

2013-01-01

The present effort aims to strengthen modeling work conducted at the NASA Ames Research Center by measuring the critical plasma electron characteristics within and slightly outside of an arc jet plasma column. These characteristics are intended to give physical insights while assisting in the formulation of boundary conditions to validate full scale simulations. Single and triple Langmuir probes have been used to achieve estimates of the electron temperature (T(sub e)), electron number density (n(sub e)) and plasma potential (outside of the plasma column) as probing location is varied radially from the flow centerline. Both the electron temperature and electron number density measurements show a large dependence on radial distance from the plasma column centerline with T(sub e) approx. = (3 - 12 eV and n(sub e) approx. = 10(exp 12) - 10(exp 14)/cu cm.

NMR shieldings from density functional perturbation theory: GIPAW versus all-electron calculations

NASA Astrophysics Data System (ADS)

de Wijs, G. A.; Laskowski, R.; Blaha, P.; Havenith, R. W. A.; Kresse, G.; Marsman, M.

2017-02-01

We present a benchmark of the density functional linear response calculation of NMR shieldings within the gauge-including projector-augmented-wave method against all-electron augmented-plane-wave+local-orbital and uncontracted Gaussian basis set results for NMR shieldings in molecular and solid state systems. In general, excellent agreement between the aforementioned methods is obtained. Scalar relativistic effects are shown to be quite large for nuclei in molecules in the deshielded limit. The small component makes up a substantial part of the relativistic corrections.

NMR shieldings from density functional perturbation theory: GIPAW versus all-electron calculations.

PubMed

de Wijs, G A; Laskowski, R; Blaha, P; Havenith, R W A; Kresse, G; Marsman, M

2017-02-14

We present a benchmark of the density functional linear response calculation of NMR shieldings within the gauge-including projector-augmented-wave method against all-electron augmented-plane-wave+local-orbital and uncontracted Gaussian basis set results for NMR shieldings in molecular and solid state systems. In general, excellent agreement between the aforementioned methods is obtained. Scalar relativistic effects are shown to be quite large for nuclei in molecules in the deshielded limit. The small component makes up a substantial part of the relativistic corrections.

Long life electrodes for large-area x-ray generators

NASA Technical Reports Server (NTRS)

Rothe, Dietmar E. (Inventor)

1991-01-01

This invention is directed to rugged, reliable, and long-life electrodes for use in large-area, high-current-density electron gun and x-ray generators which are employed as contamination-free preionizers for high-energy pulsed gas lasers. The electron source at the cathode is a corona plasma formed at the interface between a conductor, or semiconductor, and a high-permittivity dielectric. Detailed descriptions are provided of a reliable cold plasma cathode, as well as an efficient liquid-cooled electron beam target (anode) and x-ray generator which concentrates the x-ray flux in the direction of an x-ray window.

Millimeter-wave imaging diagnostics systems on the EAST tokamak (invited)

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

Zhu, Y. L.; Xie, J. L., E-mail: jlxie@ustc.edu.cn; Yu, C. X.

2016-11-15

Millimeter-wave imaging diagnostics, with large poloidal span and wide radial range, have been developed on the EAST tokamak for visualization of 2D electron temperature and density fluctuations. A 384 channel (24 poloidal × 16 radial) Electron Cyclotron Emission Imaging (ECEI) system in F-band (90-140 GHz) was installed on the EAST tokamak in 2012 to provide 2D electron temperature fluctuation images with high spatial and temporal resolution. A co-located Microwave Imaging Reflectometry (MIR) will be installed for imaging of density fluctuations by December 2016. This “4th generation” MIR system has eight independent frequency illumination beams in W-band (75-110 GHz) driven bymore » fast tuning synthesizers and active multipliers. Both of these advanced millimeter-wave imaging diagnostic systems have applied the latest techniques. A novel design philosophy “general optics structure” has been employed for the design of the ECEI and MIR receiver optics with large aperture. The extended radial and poloidal coverage of ECEI on EAST is made possible by innovations in the design of front-end optics. The front-end optical structures of the two imaging diagnostics, ECEI and MIR, have been integrated into a compact system, including the ECEI receiver and MIR transmitter and receiver. Two imaging systems share the same mid-plane port for simultaneous, co-located 2D fluctuation measurements of electron density and temperature. An intelligent remote-control is utilized in the MIR electronics systems to maintain focusing at the desired radial region even with density variations by remotely tuning the probe frequencies in about 200 μs. A similar intelligent technique has also been applied on the ECEI IF system, with remote configuration of the attenuations for each channel.« less

Millimeter-wave imaging diagnostics systems on the EAST tokamak (invited)

NASA Astrophysics Data System (ADS)

Zhu, Y. L.; Xie, J. L.; Yu, C. X.; Zhao, Z. L.; Gao, B. X.; Chen, D. X.; Liu, W. D.; Liao, W.; Qu, C. M.; Luo, C.; Hu, X.; Spear, A. G.; Luhmann, N. C.; Domier, C. W.; Chen, M.; Ren, X.; Tobias, B. J.

2016-11-01

Millimeter-wave imaging diagnostics, with large poloidal span and wide radial range, have been developed on the EAST tokamak for visualization of 2D electron temperature and density fluctuations. A 384 channel (24 poloidal × 16 radial) Electron Cyclotron Emission Imaging (ECEI) system in F-band (90-140 GHz) was installed on the EAST tokamak in 2012 to provide 2D electron temperature fluctuation images with high spatial and temporal resolution. A co-located Microwave Imaging Reflectometry (MIR) will be installed for imaging of density fluctuations by December 2016. This "4th generation" MIR system has eight independent frequency illumination beams in W-band (75-110 GHz) driven by fast tuning synthesizers and active multipliers. Both of these advanced millimeter-wave imaging diagnostic systems have applied the latest techniques. A novel design philosophy "general optics structure" has been employed for the design of the ECEI and MIR receiver optics with large aperture. The extended radial and poloidal coverage of ECEI on EAST is made possible by innovations in the design of front-end optics. The front-end optical structures of the two imaging diagnostics, ECEI and MIR, have been integrated into a compact system, including the ECEI receiver and MIR transmitter and receiver. Two imaging systems share the same mid-plane port for simultaneous, co-located 2D fluctuation measurements of electron density and temperature. An intelligent remote-control is utilized in the MIR electronics systems to maintain focusing at the desired radial region even with density variations by remotely tuning the probe frequencies in about 200 μs. A similar intelligent technique has also been applied on the ECEI IF system, with remote configuration of the attenuations for each channel.

Aerosols: The key to understanding Titan's lower ionosphere

NASA Astrophysics Data System (ADS)

Molina-Cuberos, G. J.; Cardnell, S.; García-Collado, A. J.; Witasse, O.; López-Moreno, J. J.

2018-04-01

The Permittivity Wave and Altimetry system on board the Huygens probe observed an ionospheric hidden layer at a much lower altitude than the main ionosphere during its descent through the atmosphere of Titan, the largest satellite of Saturn. Previous studies predicted a similar ionospheric layer. However, neither previous nor post-Huygens theoretical models have been able to reproduce the measurements of the electrical conductivity and charge densities reported by the Mutual Impedance (MI) and Relaxation Probe (RP) sensors. The measurements were made from an altitude of 140 km down to the ground and show a maximum of charge densities of ≈ 2 ×109 m-3 positive ions and ≈ 450 ×106 m-3 electrons at approximately 65 km. Such a large difference between positive and negative charge densities has not yet been understood. Here, by making use of electron and ion capture processes in to aerosols, we are able to model both electron and positive ion number densities and to reconcile experimental data and model results.

Characterizing bonding patterns in diradicals and triradicals by density-based wave function analysis: A uniform approach

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

Orms, Natalie; Rehn, Dirk; Dreuw, Andreas

Density-based wave function analysis enables unambiguous comparisons of electronic structure computed by different methods and removes ambiguity of orbital choices. Here, we use this tool to investigate the performance of different spin-flip methods for several prototypical diradicals and triradicals. In contrast to previous calibration studies that focused on energy gaps between high and low spin-states, we focus on the properties of the underlying wave functions, such as the number of effectively unpaired electrons. Comparison of different density functional and wave function theory results provides insight into the performance of the different methods when applied to strongly correlated systems such asmore » polyradicals. We also show that canonical molecular orbitals for species like large copper-containing diradicals fail to correctly represent the underlying electronic structure due to highly non-Koopmans character, while density-based analysis of the same wave function delivers a clear picture of bonding pattern.« less

Characterizing bonding patterns in diradicals and triradicals by density-based wave function analysis: A uniform approach

DOE PAGES

Orms, Natalie; Rehn, Dirk; Dreuw, Andreas; ...

2017-12-21

Density-based wave function analysis enables unambiguous comparisons of electronic structure computed by different methods and removes ambiguity of orbital choices. Here, we use this tool to investigate the performance of different spin-flip methods for several prototypical diradicals and triradicals. In contrast to previous calibration studies that focused on energy gaps between high and low spin-states, we focus on the properties of the underlying wave functions, such as the number of effectively unpaired electrons. Comparison of different density functional and wave function theory results provides insight into the performance of the different methods when applied to strongly correlated systems such asmore » polyradicals. We also show that canonical molecular orbitals for species like large copper-containing diradicals fail to correctly represent the underlying electronic structure due to highly non-Koopmans character, while density-based analysis of the same wave function delivers a clear picture of bonding pattern.« less

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.

Miniaturized magnet-less RF electron trap. II. Experimental verification

DOE PAGES

Deng, Shiyang; Green, Scott R.; Markosyan, Aram H.; ...

2017-06-15

Atomic microsystems have the potential of providing extremely accurate measurements of timing and acceleration. But, atomic microsystems require active maintenance of ultrahigh vacuum in order to have reasonable operating lifetimes and are particularly sensitive to magnetic fields that are used to trap electrons in traditional sputter ion pumps. Our paper presents an approach to trapping electrons without the use of magnetic fields, using radio frequency (RF) fields established between two perforated electrodes. The challenges associated with this magnet-less approach, as well as the miniaturization of the structure, are addressed. These include, for example, the transfer of large voltage (100–200 V)more » RF power to capacitive loads presented by the structure. The electron trapping module (ETM) described here uses eight electrode elements to confine and measure electrons injected by an electron beam, within an active trap volume of 0.7 cm 3. The operating RF frequency is 143.6 MHz, which is the measured series resonant frequency between the two RF electrodes. It was found experimentally that the steady state electrode potentials on electrodes near the trap became more negative after applying a range of RF power levels (up to 0.15 W through the ETM), indicating electron densities of ≈3 × 10 5 cm -3 near the walls of the trap. The observed results align well with predicted electron densities from analytical and numerical models. The peak electron density within the trap is estimated as ~1000 times the electron density in the electron beam as it exits the electron gun. Finally, this successful demonstration of the RF electron trapping concept addresses critical challenges in the development of miniaturized magnet-less ion pumps.« less

Scaling of confinement and profiles in the EXTRAP T2 reversed-field pinch

NASA Astrophysics Data System (ADS)

Welander, A.

1999-01-01

In the EXTRAP T2 reversed-field pinch the diagnostic techniques for the measurement of electron density and temperature include; Thomson scattering which gives values at three radial positions in the core (r/a = 0, 0.28, 0.56), Langmuir probes which give values at the edge (r/a > 0.9) and interferometry which gives a line-averaged density. The empirical scaling of electron density and temperature including profile information with global plasma parameters has been studied. The density profile is subject to large variations, with an average parabolic shape when the density is low and flatter shapes when the density is increased. The change in the profile shape can be attributed to a shift in the penetration length of neutrals from the vicinity of the wall. The temperature scales roughly as I/n1/2 where I is the plasma current and n is the density. The temperature profile is always quite flat with lower variations and there is a tendency for a flatter profile at higher temperatures.

Experimental observation of electron-temperature-gradient turbulence in a laboratory plasma.

PubMed

Mattoo, S K; Singh, S K; Awasthi, L M; Singh, R; Kaw, P K

2012-06-22

We report the observation of electron-temperature-gradient (ETG) driven turbulence in the laboratory plasma of a large volume plasma device. The removal of unutilized primary ionizing and nonthermal electrons from uniform density plasma and the imposition and control of the gradient in the electron temperature (T[Symbol: see text] T(e)) are all achieved by placing a large (2 m diameter) magnetic electron energy filter in the middle of the device. In the dressed plasma, the observed ETG turbulence in the lower hybrid range of frequencies ν = (1-80 kHz) is characterized by a broadband with a power law. The mean wave number k perpendicular ρ(e) = (0.1-0.2) satisfies the condition k perpendicular ρ(e) ≤ 1, where ρ(e) is the electron Larmor radius.

Passive runaway electron suppression in tokamak disruptions

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

Smith, H. M.; Helander, P.; Boozer, A. H.

2013-07-15

Runaway electrons created in disruptions pose a serious problem for tokamaks with large current. It would be desirable to have a runaway electron suppression method which is passive, i.e., a method that does not rely on an uncertain disruption prediction system. One option is to let the large electric field inherent in the disruption drive helical currents in the wall. This would create ergodic regions in the plasma and increase the runaway losses. Whether these regions appear at a suitable time and place to affect the formation of the runaway beam depends on disruption parameters, such as electron temperature andmore » density. We find that it is difficult to ergodize the central plasma before a beam of runaway current has formed. However, the ergodic outer region will make the Ohmic current profile contract, which can lead to instabilities that yield large runaway electron losses.« less

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.

All-electron density functional calculation on insulin with quasi-canonical localized orbitals.

PubMed

Inaba, Toru; Tahara, Saisei; Nisikawa, Nobutaka; Kashiwagi, Hiroshi; Sato, Fumitoshi

2005-07-30

An all-electron density functional (DF) calculation on insulin was performed by the Gaussian-based DF program, ProteinDF. Quasi-canonical localized orbitals (QCLOs) were used to improve the initial guess for the self-consistent field (SCF) calculation. All calculations were carried out by parallel computing on eight processors of an Itanium2 cluster (SGI Altix3700) with a theoretical peak performance of 41.6 GFlops. It took 35 h for the whole calculation. Insulin is a protein hormone consisting of two peptide chains linked by three disulfide bonds. The numbers of residues, atoms, electrons, orbitals, and auxiliary functions are 51, 790, 3078, 4439, and 8060, respectively. An all-electron DF calculation on insulin was successfully carried out, starting from connected QCLOs. Regardless of a large molecule with complicated topology, the differences in the total energy and the Mulliken atomic charge between initial and converged wavefunctions were very small. The calculation proceeded smoothly without any trial and error, suggesting that this is a promising method to obtain SCF convergence on large molecules such as proteins.

Electron Trapping and Charge Transport by Large Amplitude Whistlers

NASA Technical Reports Server (NTRS)

Kellogg, P. J.; Cattell, C. A.; Goetz, K.; Monson, S. J.; Wilson, L. B., III

2010-01-01

Trapping of electrons by magnetospheric whistlers is investigated using data from the Waves experiment on Wind and the S/WAVES experiment on STEREO. Waveforms often show a characteristic distortion which is shown to be due to electrons trapped in the potential of the electrostatic part of oblique whistlers. The density of trapped electrons is significant, comparable to that of the unperturbed whistler. Transport of these trapped electrons to new regions can generate potentials of several kilovolts, Trapping and the associated potentials may play an important role in the acceleration of Earth's radiation belt electrons.

Observation of trapped-electron-mode microturbulence in reversed field pinch plasmas

NASA Astrophysics Data System (ADS)

Duff, J. R.; Williams, Z. R.; Brower, D. L.; Chapman, B. E.; Ding, W. X.; Pueschel, M. J.; Sarff, J. S.; Terry, P. W.

2018-01-01

Density fluctuations in the large-density-gradient region of improved confinement Madison Symmetric Torus reversed field pinch (RFP) plasmas exhibit multiple features that are characteristic of the trapped-electron mode (TEM). Core transport in conventional RFP plasmas is governed by magnetic stochasticity stemming from multiple long-wavelength tearing modes. Using inductive current profile control, these tearing modes are reduced, and global confinement is increased to that expected for comparable tokamak plasmas. Under these conditions, new short-wavelength fluctuations distinct from global tearing modes appear in the spectrum at a frequency of f ˜ 50 kHz, which have normalized perpendicular wavenumbers k⊥ρs≲ 0.2 and propagate in the electron diamagnetic drift direction. They exhibit a critical-gradient threshold, and the fluctuation amplitude increases with the local electron density gradient. These characteristics are consistent with predictions from gyrokinetic analysis using the Gene code, including increased TEM turbulence and transport from the interaction of remnant tearing magnetic fluctuations and zonal flow.

Bulk contribution to magnetotransport properties of low-defect-density Bi2Te3 topological insulator thin films

NASA Astrophysics Data System (ADS)

Ngabonziza, P.; Wang, Y.; Brinkman, A.

2018-04-01

An important challenge in the field of topological materials is to carefully disentangle the electronic transport contribution of the topological surface states from that of the bulk. For Bi2Te3 topological insulator samples, bulk single crystals and thin films exposed to air during fabrication processes are known to be bulk conducting, with the chemical potential in the bulk conduction band. For Bi2Te3 thin films grown by molecular beam epitaxy, we combine structural characterization (transmission electron microscopy), chemical surface analysis as function of time (x-ray photoelectron spectroscopy) and magnetotransport analysis to understand the low defect density and record high bulk electron mobility once charge is doped into the bulk by surface degradation. Carrier densities and electronic mobilities extracted from the Hall effect and the quantum oscillations are consistent and reveal a large bulk carrier mobility. Because of the cylindrical shape of the bulk Fermi surface, the angle dependence of the bulk magnetoresistance oscillations is two dimensional in nature.

Estimate of size distribution of charged MSPs measured in situ in winter during the WADIS-2 sounding rocket campaign

NASA Astrophysics Data System (ADS)

Asmus, Heiner; Staszak, Tristan; Strelnikov, Boris; Lübken, Franz-Josef; Friedrich, Martin; Rapp, Markus

2017-08-01

We present results of in situ measurements of mesosphere-lower thermosphere dusty-plasma densities including electrons, positive ions and charged aerosols conducted during the WADIS-2 sounding rocket campaign. The neutral air density was also measured, allowing for robust derivation of turbulence energy dissipation rates. A unique feature of these measurements is that they were done in a true common volume and with high spatial resolution. This allows for a reliable derivation of mean sizes and a size distribution function for the charged meteor smoke particles (MSPs). The mean particle radius derived from Schmidt numbers obtained from electron density fluctuations was ˜ 0.56 nm. We assumed a lognormal size distribution of the charged meteor smoke particles and derived the distribution width of 1.66 based on in situ-measured densities of different plasma constituents. We found that layers of enhanced meteor smoke particles' density measured by the particle detector coincide with enhanced Schmidt numbers obtained from the electron and neutral density fluctuations. Thus, we found that large particles with sizes > 1 nm were stratified in layers of ˜ 1 km thickness and lying some kilometers apart from each other.

Density-Gradient-Driven trapped-electron-modes in improved-confinement RFP plasmas

NASA Astrophysics Data System (ADS)

Duff, James; Sarff, John; Ding, Weixing; Brower, David; Parke, Eli; Chapman, Brett; Terry, Paul; Pueschel, M. J.; Williams, Zach

2017-10-01

Short wavelength density fluctuations in improved-confinement MST plasmas exhibit multiple features characteristic of the trapped-electron-mode (TEM). Core transport in the RFP is normally governed by magnetic stochasticity stemming from long wavelength tearing modes that arise from current profile peaking, which are suppressed via inductive control for this work. The improved confinement is associated with an increase in the pressure gradient that can destabilize drift waves. The measured density fluctuations have f 50 kHz, kϕρs < 0.14 , and propagate in the electron drift direction. Their spectral emergence coincides with a sharp decrease in global tearing mode associated fluctuations, their amplitude increases with local density gradient, and they exhibit a density-gradient threshold at R /Ln 15 . The GENE code, modified for the RFP, predicts the onset of density-gradient-driven TEM for these strong-gradient plasma conditions. While nonlinear analysis shows a large Dimits shift associated with predicted strong zonal flows, the inclusion of residual magnetic fluctuations, comparable to experimental magnetic fluctuations, causes a collapse of the zonal flows and an increase in the predicted transport to a level close to the experimentally measured heat flux. Work supported by US DOE.

Study of electronic and magnetic properties of h-BN on Ni surfaces: A DFT approach

NASA Astrophysics Data System (ADS)

Sahoo, M. R.; Sahu, S.; Kushwaha, A. K.; Nayak, S.

2018-04-01

Hexagonal boron nitride (h-BN) is a promising material for implementation in spintronics due to large band gap, low spin-orbit coupling, and a small lattice mismatch to graphene and close-packedsurfaces of fcc-Ni(111). Electronic and magnetic properties of single layer hexagonal Boron Nitride (h-BN) on Ni (111) surface have been studied with density functional calculation. Since lattice constants of nickel surfaces are very close to that of h-BN, nickel acts as a good substrate. We found that the interaction between 2Pz - 3dz2 orbitals leads to change in electronic band structure as well as density of states which results spin polarization in h-BN.

Electronic structure of BaNi2As2

NASA Astrophysics Data System (ADS)

Zhou, Bo; Xu, Min; Zhang, Yan; Xu, Gang; He, Cheng; Yang, L. X.; Chen, Fei; Xie, B. P.; Cui, Xiao-Yu; Arita, Masashi; Shimada, Kenya; Namatame, Hirofumi; Taniguchi, Masaki; Dai, X.; Feng, D. L.

2011-01-01

BaNi2As2, with a first-order phase transition around 131 K, is studied by the angle-resolved photoemission spectroscopy. The measured electronic structure is compared to the local-density approximation calculations, revealing similar large electronlike bands around M¯ and differences along Γ¯-X¯. We further show that the electronic structure of BaNi2As2 is distinct from that of the sibling iron pnictides. Particularly, there is no signature of band folding, indicating no collinear spin-density-wave-related magnetic ordering. Moreover, across the strong first-order phase transition, the band shift exhibits a hysteresis, which is directly related to the significant lattice distortion in BaNi2As2.

Solution processed molecular floating gate for flexible flash memories

NASA Astrophysics Data System (ADS)

Zhou, Ye; Han, Su-Ting; Yan, Yan; Huang, Long-Biao; Zhou, Li; Huang, Jing; Roy, V. A. L.

2013-10-01

Solution processed fullerene (C60) molecular floating gate layer has been employed in low voltage nonvolatile memory device on flexible substrates. We systematically studied the charge trapping mechanism of the fullerene floating gate for both p-type pentacene and n-type copper hexadecafluorophthalocyanine (F16CuPc) semiconductor in a transistor based flash memory architecture. The devices based on pentacene as semiconductor exhibited both hole and electron trapping ability, whereas devices with F16CuPc trapped electrons alone due to abundant electron density. All the devices exhibited large memory window, long charge retention time, good endurance property and excellent flexibility. The obtained results have great potential for application in large area flexible electronic devices.

Arbitrary electron acoustic waves in degenerate dense plasmas

NASA Astrophysics Data System (ADS)

Rahman, Ata-ur; Mushtaq, A.; Qamar, A.; Neelam, S.

2017-05-01

A theoretical investigation is carried out of the nonlinear dynamics of electron-acoustic waves in a collisionless and unmagnetized plasma whose constituents are non-degenerate cold electrons, ultra-relativistic degenerate electrons, and stationary ions. A dispersion relation is derived for linear EAWs. An energy integral equation involving the Sagdeev potential is derived, and basic properties of the large amplitude solitary structures are investigated in such a degenerate dense plasma. It is shown that only negative large amplitude EA solitary waves can exist in such a plasma system. The present analysis may be important to understand the collective interactions in degenerate dense plasmas, occurring in dense astrophysical environments as well as in laser-solid density plasma interaction experiments.

High intensity, plasma-induced electron emission from large area carbon nanotube array cathodes

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

Liao Qingliang; Yang Ya; Qi Junjie

2010-02-15

The plasma-induced electron emission properties of large area carbon nanotube (CNT) array cathodes under different pulse electric fields were investigated. The formation and expansion of cathode plasmas were proved; in addition, the cathodes have higher emission current in the double-pulse mode than that in the single-pulse mode due to the expansion of plasma. Under the double-pulse electric field of 8.16 V/mum, the plasma's expansion velocity is about 12.33 cm/mus and the highest emission current density reached 107.72 A/cm{sup 2}. The Cerenkov radiation was used to diagnose the distribution of electron beams, and the electron beams' generating process was plasma-induced emission.

Solution processed molecular floating gate for flexible flash memories

PubMed Central

Zhou, Ye; Han, Su-Ting; Yan, Yan; Huang, Long-Biao; Zhou, Li; Huang, Jing; Roy, V. A. L.

2013-01-01

Solution processed fullerene (C60) molecular floating gate layer has been employed in low voltage nonvolatile memory device on flexible substrates. We systematically studied the charge trapping mechanism of the fullerene floating gate for both p-type pentacene and n-type copper hexadecafluorophthalocyanine (F16CuPc) semiconductor in a transistor based flash memory architecture. The devices based on pentacene as semiconductor exhibited both hole and electron trapping ability, whereas devices with F16CuPc trapped electrons alone due to abundant electron density. All the devices exhibited large memory window, long charge retention time, good endurance property and excellent flexibility. The obtained results have great potential for application in large area flexible electronic devices. PMID:24172758

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

Deng, Shiyang; Green, Scott R.; Markosyan, Aram H.

Atomic microsystems have the potential of providing extremely accurate measurements of timing and acceleration. But, atomic microsystems require active maintenance of ultrahigh vacuum in order to have reasonable operating lifetimes and are particularly sensitive to magnetic fields that are used to trap electrons in traditional sputter ion pumps. Our paper presents an approach to trapping electrons without the use of magnetic fields, using radio frequency (RF) fields established between two perforated electrodes. The challenges associated with this magnet-less approach, as well as the miniaturization of the structure, are addressed. These include, for example, the transfer of large voltage (100–200 V)more » RF power to capacitive loads presented by the structure. The electron trapping module (ETM) described here uses eight electrode elements to confine and measure electrons injected by an electron beam, within an active trap volume of 0.7 cm 3. The operating RF frequency is 143.6 MHz, which is the measured series resonant frequency between the two RF electrodes. It was found experimentally that the steady state electrode potentials on electrodes near the trap became more negative after applying a range of RF power levels (up to 0.15 W through the ETM), indicating electron densities of ≈3 × 10 5 cm -3 near the walls of the trap. The observed results align well with predicted electron densities from analytical and numerical models. The peak electron density within the trap is estimated as ~1000 times the electron density in the electron beam as it exits the electron gun. Finally, this successful demonstration of the RF electron trapping concept addresses critical challenges in the development of miniaturized magnet-less ion pumps.« less

Investigation of the Deposition and Densification Parameters on the Mechanical Properties of Pressurized Spray Deposited (PSD) 3-D Printed Ceramic Components

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

Menchhofer, Paul A.; Becker, Benjamin

Oak Ridge National Laboratory (ORNL) and HotEnd Works teamed to investigate the use of pressurized spray deposition (PSD) technology for the production of ceramic parts via additive manufacturing. Scanning electron microscopy of sintered parts provided by HotEnd Works revealed voids large enough to compromise the mechanical properties of PSD manufactured parts. Scanning electron microscopy and particle size analysis of the alumina oxide powder feedstocks indicated that the powders contained some large particles and some agglomerations in the powder. Further classification of the powder feedstocks and removal of the agglomerates by sonication in the liquid used for the PSD process aremore » recommended. Analysis of sintered parts indicated that the sonic modulus for the alumina part is consistent with other known values for alumina. The density for this part was determined by standard Archimedes immersion density methods and was found to be > 99.7 % of the theoretical density for pure alumina.« less

An atomic orbital based real-time time-dependent density functional theory for computing electronic circular dichroism band spectra

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

Goings, Joshua J.; Li, Xiaosong, E-mail: xsli@uw.edu

2016-06-21

One of the challenges of interpreting electronic circular dichroism (ECD) band spectra is that different states may have different rotatory strength signs, determined by their absolute configuration. If the states are closely spaced and opposite in sign, observed transitions may be washed out by nearby states, unlike absorption spectra where transitions are always positive additive. To accurately compute ECD bands, it is necessary to compute a large number of excited states, which may be prohibitively costly if one uses the linear-response time-dependent density functional theory (TDDFT) framework. Here we implement a real-time, atomic-orbital based TDDFT method for computing the entiremore » ECD spectrum simultaneously. The method is advantageous for large systems with a high density of states. In contrast to previous implementations based on real-space grids, the method is variational, independent of nuclear orientation, and does not rely on pseudopotential approximations, making it suitable for computation of chiroptical properties well into the X-ray regime.« less

Defect studies in one MeV electron irradiated GaAs and in Al/sub x Ga/sub l-x As P-N junction solar cells

NASA Technical Reports Server (NTRS)

Li, S. S.; Wang, W. L.; Loo, R. Y.; Rahilly, W. P.

1984-01-01

Deep level transient spectroscopy reveals that the main electron traps for one-MeV electron irradiated GaAs cells are E9c)-0.31, E(c)-0.90 eV, and the main hole trap is due to the level. Electron trap density was found to vary from 3/tens-trillion ccm for 2/one quadrillion cm 3/3.7 quadrillion cm for 21 sextillion cm electron fluence for electron fluence; a similar result was also obtained for the hole trap density. As for the grown-in defects in the Al(x)Ga(1-x)As p-n junciton cells, only two electron traps with energies of E(c)-0.20 and E(c)-0.34 eV were observed in samples with x = 0.17, and none was found for x 0.05. Auger analysis on the Al(x)Ga(1-x) As window layer of the GaAs solar cell showed a large amount of oxygen and carbon contaminants near the surface of the AlGaAs epilayer. Thermal annealing experiment performed at 250 C for up to 100 min. showed a reduction in the density of both electron traps.

One-dimensional Ar-SF{sub 6} hydromodel at low-pressure in e-beam generated plasmas

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

Petrov, George M., E-mail: george.petrov@nrl.navy.mil; Boris, David R.; Petrova, Tzvetelina B.

2016-03-15

A one-dimensional steady-state hydrodynamic model of electron beam generated plasmas produced in Ar-SF{sub 6} mixtures at low pressure in a constant magnetic field was developed. Simulations were performed for a range of SF{sub 6} partial pressures at constant 30 mTorr total gas pressure to determine the spatial distribution of species densities and fluxes. With the addition of small amount of SF{sub 6} (∼1%), the confining electrostatic field sharply decreases with respect to the pure argon case. This effect is due to the applied magnetic field inhibiting electron diffusion. The hallmark of electronegative discharge plasmas, positive ion—negative ion core and positivemore » ion—electron edge, was not observed. Instead, a plasma with large electronegativity (∼100) is formed throughout the volume, and only a small fraction (≈30%) of the parent SF{sub 6} molecules were dissociated to F{sub 2}, SF{sub 2}, and SF{sub 4}. Importantly, F radical densities were found to be very low, on the order of the ion density. Model predictions for the electron density, ion density, and plasma electronegativity are in good agreement with experimental data over the entire range of SF{sub 6} concentrations investigated.« less

MO-F-CAMPUS-J-04: Tissue Segmentation-Based MR Electron Density Mapping Method for MR-Only Radiation Treatment Planning of Brain

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

Yu, H; Lee, Y; Ruschin, M

2015-06-15

Purpose: Automatically derive electron density of tissues using MR images and generate a pseudo-CT for MR-only treatment planning of brain tumours. Methods: 20 stereotactic radiosurgery (SRS) patients’ T1-weighted MR images and CT images were retrospectively acquired. First, a semi-automated tissue segmentation algorithm was developed to differentiate tissues with similar MR intensities and large differences in electron densities. The method started with approximately 12 slices of manually contoured spatial regions containing sinuses and airways, then air, bone, brain, cerebrospinal fluid (CSF) and eyes were automatically segmented using edge detection and anatomical information including location, shape, tissue uniformity and relative intensity distribution.more » Next, soft tissues - muscle and fat were segmented based on their relative intensity histogram. Finally, intensities of voxels in each segmented tissue were mapped into their electron density range to generate pseudo-CT by linearly fitting their relative intensity histograms. Co-registered CT was used as a ground truth. The bone segmentations of pseudo-CT were compared with those of co-registered CT obtained by using a 300HU threshold. The average distances between voxels on external edges of the skull of pseudo-CT and CT in three axial, coronal and sagittal slices with the largest width of skull were calculated. The mean absolute electron density (in Hounsfield unit) difference of voxels in each segmented tissues was calculated. Results: The average of distances between voxels on external skull from pseudo-CT and CT were 0.6±1.1mm (mean±1SD). The mean absolute electron density differences for bone, brain, CSF, muscle and fat are 78±114 HU, and 21±8 HU, 14±29 HU, 57±37 HU, and 31±63 HU, respectively. Conclusion: The semi-automated MR electron density mapping technique was developed using T1-weighted MR images. The generated pseudo-CT is comparable to that of CT in terms of anatomical position of tissues and similarity of electron density assignment. This method can allow MR-only treatment planning.« less

Location-Control of Large Si Grains by Dual-Beam Excimer-Laser and Thick Oxide Portion

NASA Astrophysics Data System (ADS)

Ishihara, Ryoichi; Burtsev, Artyom; Alkemade, Paul F. A.

2000-07-01

An array of large Si grains was placed at a predetermined position by dual excimer-laser irradiation of a multi-layer structure of silicon (Si), silicon dioxide (SiO2) with an array of bumps and metal on a glass substrate. We have investigated the effects of irradiating energy density and the topology of the structure on the grain size and crystallographic structure by scanning electron microscopy (SEM) and electron back-scattering pattern (EBSP) analysis. In the low-energy-density regime, numerous small grains and petal shaped grains formed on top of the SiO2 bumps. The number of small grains on the bumps decreased with increasing irradiating energy density. At sufficiently high energy densities, one single Si grain as large as 3.5 μm was positioned at the center of the bumps. Although most of the area of the large Si grain has a single crystallographic orientation, twins and low-angle grain boundaries are often formed at the periphery of the grain. There was no preferred crystallographic orientation in the center of the location-controlled Si grain. Numerical analysis of the temperature profile showed that a temperature drop occurs at the center of the bump, during and immediately after laser irradiation. The diameter of the location-controlled Si grain increased with total thickness of the intermediate SiO2 layer, and took the maximum value of 6.2 μm.

Electron-cyclotron wave scattering by edge density fluctuations in ITER

NASA Astrophysics Data System (ADS)

Tsironis, Christos; Peeters, Arthur G.; Isliker, Heinz; Strintzi, Dafni; Chatziantonaki, Ioanna; Vlahos, Loukas

2009-11-01

The effect of edge turbulence on the electron-cyclotron wave propagation in ITER is investigated with emphasis on wave scattering, beam broadening, and its influence on localized heating and current drive. A wave used for electron-cyclotron current drive (ECCD) must cross the edge of the plasma, where density fluctuations can be large enough to bring on wave scattering. The scattering angle due to the density fluctuations is small, but the beam propagates over a distance of several meters up to the resonance layer and even small angle scattering leads to a deviation of several centimeters at the deposition location. Since the localization of ECCD is crucial for the control of neoclassical tearing modes, this issue is of great importance to the ITER design. The wave scattering process is described on the basis of a Fokker-Planck equation, where the diffusion coefficient is calculated analytically as well as computed numerically using a ray tracing code.

Spectroscopic measurements of plasma emission light for plasma-based acceleration experiments

NASA Astrophysics Data System (ADS)

Filippi, F.; Anania, M. P.; Biagioni, A.; Chiadroni, E.; Cianchi, A.; Ferrario, M.; Mostacci, A.; Palumbo, L.; Zigler, A.

2016-09-01

Advanced particle accelerators are based on the excitation of large amplitude plasma waves driven by either electron or laser beams. Future experiments scheduled at the SPARC_LAB test facility aim to demonstrate the acceleration of high brightness electron beams through the so-called resonant Plasma Wakefield Acceleration scheme in which a train of electron bunches (drivers) resonantly excites wakefields into a preformed hydrogen plasma; the last bunch (witness) injected at the proper accelerating phase gains energy from the wake. The quality of the accelerated beam depends strongly on plasma density and its distribution along the acceleration length. The measurements of plasma density of the order of 1016-1017 cm-3 can be performed with spectroscopic measurements of the plasma-emitted light. The measured density distribution for hydrogen filled capillary discharge with both Balmer alpha and Balmer beta lines and shot-to-shot variation are here reported.

DGDFT: A massively parallel method for large scale density functional theory calculations.

PubMed

Hu, Wei; Lin, Lin; Yang, Chao

2015-09-28

We describe a massively parallel implementation of the recently developed discontinuous Galerkin density functional theory (DGDFT) method, for efficient large-scale Kohn-Sham DFT based electronic structure calculations. The DGDFT method uses adaptive local basis (ALB) functions generated on-the-fly during the self-consistent field iteration to represent the solution to the Kohn-Sham equations. The use of the ALB set provides a systematic way to improve the accuracy of the approximation. By using the pole expansion and selected inversion technique to compute electron density, energy, and atomic forces, we can make the computational complexity of DGDFT scale at most quadratically with respect to the number of electrons for both insulating and metallic systems. We show that for the two-dimensional (2D) phosphorene systems studied here, using 37 basis functions per atom allows us to reach an accuracy level of 1.3 × 10(-4) Hartree/atom in terms of the error of energy and 6.2 × 10(-4) Hartree/bohr in terms of the error of atomic force, respectively. DGDFT can achieve 80% parallel efficiency on 128,000 high performance computing cores when it is used to study the electronic structure of 2D phosphorene systems with 3500-14 000 atoms. This high parallel efficiency results from a two-level parallelization scheme that we will describe in detail.

Generalized-active-space pair-density functional theory: an efficient method to study large, strongly correlated, conjugated systems

DOE PAGES

Ghosh, Soumen; Cramer, Christopher J.; Truhlar, Donald G.; ...

2017-01-19

Predicting ground- and excited-state properties of open-shell organic molecules by electronic structure theory can be challenging because an accurate treatment has to correctly describe both static and dynamic electron correlation. Strongly correlated systems, i.e., systems with near-degeneracy correlation effects, are particularly troublesome. Multiconfigurational wave function methods based on an active space are adequate in principle, but it is impractical to capture most of the dynamic correlation in these methods for systems characterized by many active electrons. Here, we recently developed a new method called multiconfiguration pair-density functional theory (MC-PDFT), that combines the advantages of wave function theory and density functionalmore » theory to provide a more practical treatment of strongly correlated systems. Here we present calculations of the singlet–triplet gaps in oligoacenes ranging from naphthalene to dodecacene. Calculations were performed for unprecedently large orbitally optimized active spaces of 50 electrons in 50 orbitals, and we test a range of active spaces and active space partitions, including four kinds of frontier orbital partitions. We show that MC-PDFT can predict the singlet–triplet splittings for oligoacenes consistent with the best available and much more expensive methods, and indeed MC-PDFT may constitute the benchmark against which those other models should be compared, given the absence of experimental data.« less

Generalized-active-space pair-density functional theory: an efficient method to study large, strongly correlated, conjugated systems

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

Ghosh, Soumen; Cramer, Christopher J.; Truhlar, Donald G.

Predicting ground- and excited-state properties of open-shell organic molecules by electronic structure theory can be challenging because an accurate treatment has to correctly describe both static and dynamic electron correlation. Strongly correlated systems, i.e., systems with near-degeneracy correlation effects, are particularly troublesome. Multiconfigurational wave function methods based on an active space are adequate in principle, but it is impractical to capture most of the dynamic correlation in these methods for systems characterized by many active electrons. Here, we recently developed a new method called multiconfiguration pair-density functional theory (MC-PDFT), that combines the advantages of wave function theory and density functionalmore » theory to provide a more practical treatment of strongly correlated systems. Here we present calculations of the singlet–triplet gaps in oligoacenes ranging from naphthalene to dodecacene. Calculations were performed for unprecedently large orbitally optimized active spaces of 50 electrons in 50 orbitals, and we test a range of active spaces and active space partitions, including four kinds of frontier orbital partitions. We show that MC-PDFT can predict the singlet–triplet splittings for oligoacenes consistent with the best available and much more expensive methods, and indeed MC-PDFT may constitute the benchmark against which those other models should be compared, given the absence of experimental data.« less

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.

A divide-conquer-recombine algorithmic paradigm for large spatiotemporal quantum molecular dynamics simulations

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

Shimojo, Fuyuki; Hattori, Shinnosuke; Department of Physics, Kumamoto University, Kumamoto 860-8555

We introduce an extension of the divide-and-conquer (DC) algorithmic paradigm called divide-conquer-recombine (DCR) to perform large quantum molecular dynamics (QMD) simulations on massively parallel supercomputers, in which interatomic forces are computed quantum mechanically in the framework of density functional theory (DFT). In DCR, the DC phase constructs globally informed, overlapping local-domain solutions, which in the recombine phase are synthesized into a global solution encompassing large spatiotemporal scales. For the DC phase, we design a lean divide-and-conquer (LDC) DFT algorithm, which significantly reduces the prefactor of the O(N) computational cost for N electrons by applying a density-adaptive boundary condition at themore » peripheries of the DC domains. Our globally scalable and locally efficient solver is based on a hybrid real-reciprocal space approach that combines: (1) a highly scalable real-space multigrid to represent the global charge density; and (2) a numerically efficient plane-wave basis for local electronic wave functions and charge density within each domain. Hybrid space-band decomposition is used to implement the LDC-DFT algorithm on parallel computers. A benchmark test on an IBM Blue Gene/Q computer exhibits an isogranular parallel efficiency of 0.984 on 786 432 cores for a 50.3 × 10{sup 6}-atom SiC system. As a test of production runs, LDC-DFT-based QMD simulation involving 16 661 atoms is performed on the Blue Gene/Q to study on-demand production of hydrogen gas from water using LiAl alloy particles. As an example of the recombine phase, LDC-DFT electronic structures are used as a basis set to describe global photoexcitation dynamics with nonadiabatic QMD (NAQMD) and kinetic Monte Carlo (KMC) methods. The NAQMD simulations are based on the linear response time-dependent density functional theory to describe electronic excited states and a surface-hopping approach to describe transitions between the excited states. A series of techniques are employed for efficiently calculating the long-range exact exchange correction and excited-state forces. The NAQMD trajectories are analyzed to extract the rates of various excitonic processes, which are then used in KMC simulation to study the dynamics of the global exciton flow network. This has allowed the study of large-scale photoexcitation dynamics in 6400-atom amorphous molecular solid, reaching the experimental time scales.« less

Assessment of Ionospheric Anomaly Prior to the Large Earthquake: 2D and 3D Analysis in Space and Time for the 2011 Tohoku Earthquake (Mw9.0)

NASA Astrophysics Data System (ADS)

Hattori, Katsumi; Hirooka, Shinji; Han, Peng

2016-04-01

The ionospheric anomalies possibly associated with large earthquakes have been reported by many researchers. In this paper, Total Electron Content (TEC) and tomography analyses have been applied to investigate the spatial and temporal distributions of ionospheric electron density prior to the 2011 Off the Pacific Coast of Tohoku earthquake (Mw9.0). Results show significant TEC enhancements and an interesting three dimensional structure prior to the main shock. As for temporal TEC changes, the TEC value increases 3－4 days before the earthquake remarkably, when the geomagnetic condition was relatively quiet. In addition, the abnormal TEC enhancement area in space was stalled above Japan during the period. Tomographic results show that three dimensional distribution of electron density decreases around 250 km altitude above the epicenter (peak is located just the east-region of the epicenter) and increases the mostly entire region between 300 and 400 km.

Profile Control by Biased Electrodes in Large Diameter RF Produced Pl asma

NASA Astrophysics Data System (ADS)

Shinohara, Shunjiro; Matsuoka, Norikazu; Yoshinaka, Toshiro

1998-10-01

Control of the plasma profile has been carried out, using the voltage biasing method in the large diameter (45 cm) RF (radio frequency) produced plasma in the presence of the uniform magnetic field (less than 1200 G). Under the low filling pressure condition of 0.16 mTorr, changing the biasing voltages to the three individual end plates with concentric circular ring shapes, the radial electron density (about 10^10 cm-3) profile could be changed from the hollow to the peaked one. On the contrary, the nearly flat electron temperature (several eV) profile did not change appreciably. The azimuthal rotation velocity measured by the Mach probe, i.e. directional probe, showed the different radial profiles (but nearly uniform along the axis) depending on the biasing voltage. This velocity became slower with the low magnetic field (less than 200 G) or in the higher pressure regime up to 20 mTorr with the higher electron density. The experimental results by other biasing methods will also be presented.

Vlasov Simulation of Ion Acceleration in the Field of an Intense Laser Incident on an Overdense Plasma

NASA Astrophysics Data System (ADS)

Shoucri, Magdi; Charbonneau-Lefort, Mathieu; Afeyan, Bedros

2008-11-01

We study the interaction of a high intensity laser with an overdense plasma. When the intensity of the laser is sufficiently high to make the electrons relativistic, unusual interactions between the EM wave and the surface of the plasma take place. We use an Eulerian Vlasov code for the numerical solution of the one-dimensional two-species relativistic Vlasov-Maxwell equations [1]. The results show that the incident laser steepens the density profile significantly. There is a large build-up of electron density at the plasma edge, and as a consequence a large charge separation that is induced under the action of the intense laser field. This results in an intense quasistatic longitudinal electric field generated at the surface of the plasma which accelerates ions in the forward direction. We will show the details of the formation of the longitudinal edge electric field and of electron and ion phase-space structures. [1] M. Charbonneau-Lefort, M. Shoucri, B. Afeyan , Proc. of the EPS Conference, Greece (2008).

Kinetic description of large-scale low pressure glow discharges

NASA Astrophysics Data System (ADS)

Kortshagen, Uwe; Heil, Brian

1997-10-01

In recent years the so called ``nonlocal approximation'' to the solution of the electron Boltzmann equation has attracted considerable attention as an extremely efficient method for the kinetic modeling of low pressure discharges. However, it appears that modern discharges, which are optimized to provide large-scale plasma uniformity, are explicitly designed to work in a regime, in which the nonlocal approximation is no longer strictly valid. In the presentation we discuss results of a hybrid model, which is based on the natural division of the electron distribution function into a nonlocal body, which is determined by elastic collisions only, and a high energy part which requires a more complete treatment due to the action of inelastic collisions and wall losses of electrons. The method is applied to an inductively coupled low pressure discharge. We discuss the transition from plasma density profiles maximal on the discharge axis to plasma density profiles with off-center maxima, which has been observed in experiments. A positive feedback mechanism involved in this transition is pointed out.

Electron Mobility in γ -Al2O3/SrTiO3

NASA Astrophysics Data System (ADS)

Christensen, D. V.; Frenkel, Y.; Schütz, P.; Trier, F.; Wissberg, S.; Claessen, R.; Kalisky, B.; Smith, A.; Chen, Y. Z.; Pryds, N.

2018-05-01

One of the key issues in engineering oxide interfaces for electronic devices is achieving high electron mobility. SrTiO3 -based interfaces with high electron mobility have gained a lot of interest due to the possibility of combining quantum phenomena with the many functionalities exhibited by SrTiO3 . To date, the highest electron mobility (140 000 cm2/V s at 2 K) is obtained by interfacing perovskite SrTiO3 with spinel γ -Al2O3 . The origin of the high mobility, however, remains poorly understood. Here, we investigate the scattering mechanisms limiting the mobility in γ -Al2O3/SrTiO3 at temperatures between 2 and 300 K and over a wide range of sheet carrier densities. For T >150 K , we find that the mobility is limited by longitudinal optical phonon scattering. For large sheet carrier densities (>8 ×1013 cm-2 ), the screened electron-phonon coupling leads to room-temperature mobilities up to μ ˜12 cm2/V s . For 5 K

Non-equilibrium calculations of atmospheric processes initiated by electron impact.

NASA Astrophysics Data System (ADS)

Campbell, L.; Brunger, M. J.

2007-05-01

Electron impact in the atmosphere produces ionisation, dissociation, electronic excitation and vibrational excitation of atoms and molecules. The products can then take part in chemical reactions, recombination with electrons, or radiative or collisional deactivation. While most such processes are fast, some longer--lived species do not reach equilibrium. The electron source (photoelectrons or auroral electrons) also varies over time and longer-lived species can move substantially in altitude by molecular, ambipolar or eddy diffusion. Hence non-equilibrium calculations are required in some circumstances. Such time-step calculations need to have sufficiently short steps so that the fastest processes are still calculated correctly, but this can lead to computation times that are too large. Hence techniques to allow for longer time steps by incorporating equilibrium calculations are described. Examples are given for results of atmospheric non-equilibrium calculations, including the populations of the vibrational levels of ground state N2, the electron density and its dependence on vibrationally excited N2, predictions of nitric oxide density, and detailed processes during short duration auroral events.

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.

Electronic Coupling Calculations for Bridge-Mediated Charge Transfer Using Constrained Density Functional Theory (CDFT) and Effective Hamiltonian Approaches at the Density Functional Theory (DFT) and Fragment-Orbital Density Functional Tight Binding (FODFTB) Level

DOE PAGES

Gillet, Natacha; Berstis, Laura; Wu, Xiaojing; ...

2016-09-09

In this paper, four methods to calculate charge transfer integrals in the context of bridge-mediated electron transfer are tested. These methods are based on density functional theory (DFT). We consider two perturbative Green's function effective Hamiltonian methods (first, at the DFT level of theory, using localized molecular orbitals; second, applying a tight-binding DFT approach, using fragment orbitals) and two constrained DFT implementations with either plane-wave or local basis sets. To assess the performance of the methods for through-bond (TB)-dominated or through-space (TS)-dominated transfer, different sets of molecules are considered. For through-bond electron transfer (ET), several molecules that were originally synthesizedmore » by Paddon-Row and co-workers for the deduction of electronic coupling values from photoemission and electron transmission spectroscopies, are analyzed. The tested methodologies prove to be successful in reproducing experimental data, the exponential distance decay constant and the superbridge effects arising from interference among ET pathways. For through-space ET, dedicated p-stacked systems with heterocyclopentadiene molecules were created and analyzed on the basis of electronic coupling dependence on donor-acceptor distance, structure of the bridge, and ET barrier height. The inexpensive fragment-orbital density functional tight binding (FODFTB) method gives similar results to constrained density functional theory (CDFT) and both reproduce the expected exponential decay of the coupling with donor-acceptor distances and the number of bridging units. Finally, these four approaches appear to give reliable results for both TB and TS ET and present a good alternative to expensive ab initio methodologies for large systems involving long-range charge transfers.« less

Electronic Coupling Calculations for Bridge-Mediated Charge Transfer Using Constrained Density Functional Theory (CDFT) and Effective Hamiltonian Approaches at the Density Functional Theory (DFT) and Fragment-Orbital Density Functional Tight Binding (FODFTB) Level

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

Gillet, Natacha; Berstis, Laura; Wu, Xiaojing

In this paper, four methods to calculate charge transfer integrals in the context of bridge-mediated electron transfer are tested. These methods are based on density functional theory (DFT). We consider two perturbative Green's function effective Hamiltonian methods (first, at the DFT level of theory, using localized molecular orbitals; second, applying a tight-binding DFT approach, using fragment orbitals) and two constrained DFT implementations with either plane-wave or local basis sets. To assess the performance of the methods for through-bond (TB)-dominated or through-space (TS)-dominated transfer, different sets of molecules are considered. For through-bond electron transfer (ET), several molecules that were originally synthesizedmore » by Paddon-Row and co-workers for the deduction of electronic coupling values from photoemission and electron transmission spectroscopies, are analyzed. The tested methodologies prove to be successful in reproducing experimental data, the exponential distance decay constant and the superbridge effects arising from interference among ET pathways. For through-space ET, dedicated p-stacked systems with heterocyclopentadiene molecules were created and analyzed on the basis of electronic coupling dependence on donor-acceptor distance, structure of the bridge, and ET barrier height. The inexpensive fragment-orbital density functional tight binding (FODFTB) method gives similar results to constrained density functional theory (CDFT) and both reproduce the expected exponential decay of the coupling with donor-acceptor distances and the number of bridging units. Finally, these four approaches appear to give reliable results for both TB and TS ET and present a good alternative to expensive ab initio methodologies for large systems involving long-range charge transfers.« less

Electronic Coupling Calculations for Bridge-Mediated Charge Transfer Using Constrained Density Functional Theory (CDFT) and Effective Hamiltonian Approaches at the Density Functional Theory (DFT) and Fragment-Orbital Density Functional Tight Binding (FODFTB) Level.

PubMed

Gillet, Natacha; Berstis, Laura; Wu, Xiaojing; Gajdos, Fruzsina; Heck, Alexander; de la Lande, Aurélien; Blumberger, Jochen; Elstner, Marcus

2016-10-11

In this article, four methods to calculate charge transfer integrals in the context of bridge-mediated electron transfer are tested. These methods are based on density functional theory (DFT). We consider two perturbative Green's function effective Hamiltonian methods (first, at the DFT level of theory, using localized molecular orbitals; second, applying a tight-binding DFT approach, using fragment orbitals) and two constrained DFT implementations with either plane-wave or local basis sets. To assess the performance of the methods for through-bond (TB)-dominated or through-space (TS)-dominated transfer, different sets of molecules are considered. For through-bond electron transfer (ET), several molecules that were originally synthesized by Paddon-Row and co-workers for the deduction of electronic coupling values from photoemission and electron transmission spectroscopies, are analyzed. The tested methodologies prove to be successful in reproducing experimental data, the exponential distance decay constant and the superbridge effects arising from interference among ET pathways. For through-space ET, dedicated π-stacked systems with heterocyclopentadiene molecules were created and analyzed on the basis of electronic coupling dependence on donor-acceptor distance, structure of the bridge, and ET barrier height. The inexpensive fragment-orbital density functional tight binding (FODFTB) method gives similar results to constrained density functional theory (CDFT) and both reproduce the expected exponential decay of the coupling with donor-acceptor distances and the number of bridging units. These four approaches appear to give reliable results for both TB and TS ET and present a good alternative to expensive ab initio methodologies for large systems involving long-range charge transfers.

a High-Density Electron Beam and Quad-Scan Measurements at Pleiades Thomson X-Ray Source

NASA Astrophysics Data System (ADS)

Lim, J. K.; Rosenzweig, J. B.; Anderson, S. G.; Tremaine, A. M.

2007-09-01

A recent development of the photo-cathode injector technology has greatly enhanced the beam quality necessary for the creation of high density/high brightness electron beam sources. In the Thomson backscattering x-ray experiment, there is an immense need for under 20 micron electron beam spot at the interaction point with a high-intensity laser in order to produce a large x-ray flux. This has been demonstrated successfully at PLEIADES in Lawrence Livermore National Laboratory. For this Thomson backscattering experiment, we employed an asymmetric triplet, high remanence permanent-magnet quads to produce smaller electron beams. Utilizing highly efficient optical transition radiation (OTR) beam spot imaging technique and varying electron focal spot sizes enabled a quadrupole scan at the interaction zone. Comparisons between Twiss parameters obtained upstream to those parameter values deduced from PMQ scan will be presented in this report.

a High-Density Electron Beam and Quad-Scan Measurements at Pleiades Thomson X-Ray Source

NASA Astrophysics Data System (ADS)

Lim, J. K.; Rosenzweig, J. B.; Anderson, S. G.; Tremaine, A. M.

A recent development of the photo-cathode injector technology has greatly enhanced the beam quality necessary for the creation of high density/high brightness electron beam sources. In the Thomson backscattering x-ray experiment, there is an immense need for under 20 micron electron beam spot at the interaction point with a high-intensity laser in order to produce a large x-ray flux. This has been demonstrated successfully at PLEIADES in Lawrence Livermore National Laboratory. For this Thomson backscattering experiment, we employed an asymmetric triplet, high remanence permanent-magnet quads to produce smaller electron beams. Utilizing highly efficient optical transition radiation (OTR) beam spot imaging technique and varying electron focal spot sizes enabled a quadrupole scan at the interaction zone. Comparisons between Twiss parameters obtained upstream to those parameter values deduced from PMQ scan will be presented in this report.

Molecular Electronic Shift Registers

NASA Technical Reports Server (NTRS)

Beratan, David N.; Onuchic, Jose N.

1990-01-01

Molecular-scale shift registers eventually constructed as parts of high-density integrated memory circuits. In principle, variety of organic molecules makes possible large number of different configurations and modes of operation for such shift-register devices. Several classes of devices and implementations in some specific types of molecules proposed. All based on transfer of electrons or holes along chains of repeating molecular units.

Accelerating large scale Kohn-Sham density functional theory calculations with semi-local functionals and hybrid functionals

NASA Astrophysics Data System (ADS)

Lin, Lin

The computational cost of standard Kohn-Sham density functional theory (KSDFT) calculations scale cubically with respect to the system size, which limits its use in large scale applications. In recent years, we have developed an alternative procedure called the pole expansion and selected inversion (PEXSI) method. The PEXSI method solves KSDFT without solving any eigenvalue and eigenvector, and directly evaluates physical quantities including electron density, energy, atomic force, density of states, and local density of states. The overall algorithm scales as at most quadratically for all materials including insulators, semiconductors and the difficult metallic systems. The PEXSI method can be efficiently parallelized over 10,000 - 100,000 processors on high performance machines. The PEXSI method has been integrated into a number of community electronic structure software packages such as ATK, BigDFT, CP2K, DGDFT, FHI-aims and SIESTA, and has been used in a number of applications with 2D materials beyond 10,000 atoms. The PEXSI method works for LDA, GGA and meta-GGA functionals. The mathematical structure for hybrid functional KSDFT calculations is significantly different. I will also discuss recent progress on using adaptive compressed exchange method for accelerating hybrid functional calculations. DOE SciDAC Program, DOE CAMERA Program, LBNL LDRD, Sloan Fellowship.

OPTOELECTRONIC PROPERTIES AND THE GAP STATE DISTRIBUTION IN a-Si, Ge ALLOYS

NASA Astrophysics Data System (ADS)

Aljishi, S.; Smith, Z. E.; Wagner, S.

In this article we review optical and electronic transport data measured in amorphous silicon-germanium alloys with the goal of identifying the density of states as a function of alloy composition. The results show that while alloying a-Si:H with germanium has little effect on the valence band tail, the conduction band tail density of states is increased dramatically. Defect distributions both above and below midgap are detected and identified with the dangling bond D+/° and D°/- states. The density of deep defects below midgap increases exponentially with germanium content. Above midgap, a large concentration of defects lying between 0.3 and 0.5 eV below the conduction band edge has a strong effect on transient electron transport.

First measurement of time evolution of electron temperature profiles with Nd:YAG Thomson scattering system on Heliotron J.

PubMed

Kenmochi, N; Minami, T; Takahashi, C; Tei, S; Mizuuchi, T; Kobayashi, S; Nagasaki, K; Nakamura, Y; Okada, H; Kado, S; Yamamoto, S; Ohshima, S; Konoshima, S; Shi, N; Zang, L; Ohtani, Y; Kasajima, K; Sano, F

2014-11-01

A Nd:YAG Thomson scattering system has been developed for Heliotron J. The system consists of two 550 mJ 50 Hz lasers, large collection optics, and 25 radial channel (∼1 cm spatial resolution) interference polychromators. This measurement system achieves a S/N ratio of ∼50 for low-density plasma (ne ∼ 0.5 × 10(19) m(-3)). A time evolution of electron temperature profiles was measured with this system for a high-intensity gas-puff (HIGP) fueling neutral-beam-injection plasma. The peripheral temperature of the higher-density phase after HIGP recovers to the low-density pre-HIGP level, suggesting that improving particle transport in the HIGP plasma may be possible.

Electron and Nucleon Localization Functions of Oganesson: Approaching the Thomas-Fermi Limit

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

Jerabek, Paul; Schuetrumpf, Bastian; Schwerdtfeger, Peter

Fermion localization functions are used to discuss electronic and nucleonic shell structure effects in the superheavy element oganesson, the heaviest element discovered to date. Spin-orbit splitting in the 7p electronic shell becomes so large (~10 eV) that Og is expected to show uniform-gas-like behavior in the valence region with a rather large dipole polarizability compared to the lighter rare gas elements. The nucleon localization in Og is also predicted to undergo a transition to the Thomas-Fermi gas behavior in the valence region. Finally, this effect, particularly strong for neutrons, is due to the high density of single-particle orbitals.

Electron and Nucleon Localization Functions of Oganesson: Approaching the Thomas-Fermi Limit

DOE PAGES

Jerabek, Paul; Schuetrumpf, Bastian; Schwerdtfeger, Peter; ...

2018-01-31

Fermion localization functions are used to discuss electronic and nucleonic shell structure effects in the superheavy element oganesson, the heaviest element discovered to date. Spin-orbit splitting in the 7p electronic shell becomes so large (~10 eV) that Og is expected to show uniform-gas-like behavior in the valence region with a rather large dipole polarizability compared to the lighter rare gas elements. The nucleon localization in Og is also predicted to undergo a transition to the Thomas-Fermi gas behavior in the valence region. Finally, this effect, particularly strong for neutrons, is due to the high density of single-particle orbitals.

Electron and Nucleon Localization Functions of Oganesson: Approaching the Thomas-Fermi Limit

NASA Astrophysics Data System (ADS)

Jerabek, Paul; Schuetrumpf, Bastian; Schwerdtfeger, Peter; Nazarewicz, Witold

2018-02-01

Fermion localization functions are used to discuss electronic and nucleonic shell structure effects in the superheavy element oganesson, the heaviest element discovered to date. Spin-orbit splitting in the 7 p electronic shell becomes so large (˜10 eV ) that Og is expected to show uniform-gas-like behavior in the valence region with a rather large dipole polarizability compared to the lighter rare gas elements. The nucleon localization in Og is also predicted to undergo a transition to the Thomas-Fermi gas behavior in the valence region. This effect, particularly strong for neutrons, is due to the high density of single-particle orbitals.

Core turbulence behavior moving from ion-temperature-gradient regime towards trapped-electron-mode regime in the ASDEX Upgrade tokamak and comparison with gyrokinetic simulation

NASA Astrophysics Data System (ADS)

Happel, T.; Navarro, A. Bañón; Conway, G. D.; Angioni, C.; Bernert, M.; Dunne, M.; Fable, E.; Geiger, B.; Görler, T.; Jenko, F.; McDermott, R. M.; Ryter, F.; Stroth, U.

2015-03-01

Additional electron cyclotron resonance heating (ECRH) is used in an ion-temperature-gradient instability dominated regime to increase R / L Te in order to approach the trapped-electron-mode instability regime. The radial ECRH deposition location determines to a large degree the effect on R / L Te . Accompanying scale-selective turbulence measurements at perpendicular wavenumbers between k⊥ = 4-18 cm-1 (k⊥ρs = 0.7-4.2) show a pronounced increase of large-scale density fluctuations close to the ECRH radial deposition location at mid-radius, along with a reduction in phase velocity of large-scale density fluctuations. Measurements are compared with results from linear and non-linear flux-matched gyrokinetic (GK) simulations with the gyrokinetic code GENE. Linear GK simulations show a reduction of phase velocity, indicating a pronounced change in the character of the dominant instability. Comparing measurement and non-linear GK simulation, as a central result, agreement is obtained in the shape of radial turbulence level profiles. However, the turbulence intensity is increasing with additional heating in the experiment, while gyrokinetic simulations show a decrease.

A model of the SO2 atmosphere and ionosphere of Io

NASA Technical Reports Server (NTRS)

Kumar, S.

1980-01-01

The calculations of thermal structure for an SO2 atmosphere of Io lead to exospheric temperatures in 800-1200 K range. The Pioneer 10 electron density profiles can be fit with an SO2 surface density of 1.2 x 10 to the 11th per cu cm at 5:30 pm local time and exosphere temperature of 1030 K. Low energy electrons provide the major ionization source but the solar UV absorption dominates the heating of the atmosphere due to the long wavelength absorption threshold of SO2 and large absorption cross sections.

Electron paramagnetic resonance g-tensors from state interaction spin-orbit coupling density matrix renormalization group

NASA Astrophysics Data System (ADS)

Sayfutyarova, Elvira R.; Chan, Garnet Kin-Lic

2018-05-01

We present a state interaction spin-orbit coupling method to calculate electron paramagnetic resonance g-tensors from density matrix renormalization group wavefunctions. We apply the technique to compute g-tensors for the TiF3 and CuCl42 - complexes, a [2Fe-2S] model of the active center of ferredoxins, and a Mn4CaO5 model of the S2 state of the oxygen evolving complex. These calculations raise the prospects of determining g-tensors in multireference calculations with a large number of open shells.

Electron-phonon coupling and superconductivity in the (4/3)-monolayer of Pb on Si(111): Role of spin-orbit interaction

NASA Astrophysics Data System (ADS)

Sklyadneva, I. Yu.; Heid, R.; Bohnen, K.-P.; Echenique, P. M.; Chulkov, E. V.

2018-05-01

The effect of spin-orbit coupling on the electron-phonon interaction in a (4/3)-monolayer of Pb on Si(111) is investigated within the density-functional theory and linear-response approach in the mixed-basis pseudopotential representation. We show that the spin-orbit interaction produces a large weakening of the electron-phonon coupling strength, which appears to be strongly overestimated in the scalar relativistic calculations. The effect of spin-orbit interaction is largely determined by the induced modification of Pb electronic bands and a stiffening of the low-energy part of phonon spectrum, which favor a weakening of the electron-phonon coupling strength. The state-dependent strength of the electron-phonon interaction in occupied Pb electronic bands varies depending on binding energy rather than electronic momentum. It is markedly larger than the value averaged over electron momentum because substrate electronic bands make a small contribution to the phonon-mediated scattering and agrees well with the experimental data.

Plasmonic resonances of nanoparticles from large-scale quantum mechanical simulations

NASA Astrophysics Data System (ADS)

Zhang, Xu; Xiang, Hongping; Zhang, Mingliang; Lu, Gang

2017-09-01

Plasmonic resonance of metallic nanoparticles results from coherent motion of its conduction electrons, driven by incident light. For the nanoparticles less than 10 nm in diameter, localized surface plasmonic resonances become sensitive to the quantum nature of the conduction electrons. Unfortunately, quantum mechanical simulations based on time-dependent Kohn-Sham density functional theory are computationally too expensive to tackle metal particles larger than 2 nm. Herein, we introduce the recently developed time-dependent orbital-free density functional theory (TD-OFDFT) approach which enables large-scale quantum mechanical simulations of plasmonic responses of metallic nanostructures. Using TD-OFDFT, we have performed quantum mechanical simulations to understand size-dependent plasmonic response of Na nanoparticles and plasmonic responses in Na nanoparticle dimers and trimers. An outlook of future development of the TD-OFDFT method is also presented.

On limitations of laser-induced fluorescence diagnostics for xenon ion velocity distribution function measurements in Hall thrusters

NASA Astrophysics Data System (ADS)

Romadanov, I.; Raitses, Y.; Diallo, A.; Hara, K.; Kaganovich, I. D.; Smolyakov, A.

2018-03-01

Hall thruster operation is characterized by strong breathing oscillations of the discharge current, the plasma density, the temperature, and the electric field. Probe- and laser-induced fluorescence (LIF) diagnostics were used to measure temporal variations of plasma parameters and the xenon ion velocity distribution function (IVDF) in the near-field plasma plume in regimes with moderate (<18%) external modulations of applied DC discharge voltage at the frequency of the breathing mode. It was shown that the LIF signal collapses while the ion density at the same location is finite. The proposed explanation for this surprising result is based on a strong dependence of the excitation cross-section of metastables on the electron temperature. For large amplitudes of oscillations, the electron temperature at the minimum enters the region of very low cross-section (for the excitation of the xenon ions); thus, significantly reducing the production of metastable ions. Because the residence time of ions in the channel is generally shorter than the time scale of breathing oscillations, the density of the excited ions outside the thruster is low and they cannot be detected. In the range of temperature of oscillations, the ionization cross-section of xenon atoms remains sufficiently large to sustain the discharge. This finding suggests that the commonly used LIF diagnostic of xenon IVDF can be subject to large uncertainties in the regimes with significant oscillations of the electron temperature, or other plasma parameters.

A new inversion algorithm for HF sky-wave backscatter ionograms

NASA Astrophysics Data System (ADS)

Feng, Jing; Ni, Binbin; Lou, Peng; Wei, Na; Yang, Longquan; Liu, Wen; Zhao, Zhengyu; Li, Xue

2018-05-01

HF sky-wave backscatter sounding system is capable of measuring the large-scale, two-dimensional (2-D) distributions of ionospheric electron density. The leading edge (LE) of a backscatter ionogram (BSI) is widely used for ionospheric inversion since it is hardly affected by any factors other than ionospheric electron density. Traditional BSI inversion methods have failed to distinguish LEs associated with different ionospheric layers, and simply utilize the minimum group path of each operating frequency, which generally corresponds to the LE associated with the F2 layer. Consequently, while the inversion results can provide accurate profiles of the F region below the F2 peak, the diagnostics may not be so effective for other ionospheric layers. In order to resolve this issue, we present a new BSI inversion method using LEs associated with different layers, which can further improve the accuracy of electron density distribution, especially the profile of the ionospheric layers below the F2 region. The efficiency of the algorithm is evaluated by computing the mean and the standard deviation of the differences between inverted parameter values and true values obtained from both vertical and oblique incidence sounding. Test results clearly manifest that the method we have developed outputs more accurate electron density profiles due to improvements to acquire the profiles of the layers below the F2 region. Our study can further improve the current BSI inversion methods on the reconstruction of 2-D electron density distribution in a vertical plane aligned with the direction of sounding.

Enhanced ionization of the Martian nightside ionosphere during solar energetic particle events

NASA Astrophysics Data System (ADS)

Nemec, F.; Morgan, D. D.; Dieval, C.; Gurnett, D. A.; Futaana, Y.

2013-12-01

The nightside ionosphere of Mars is highly variable and very irregular, controlled to a great extent by the configuration of the crustal magnetic fields. The ionospheric reflections observed by the MARSIS radar sounder on board the Mars Express spacecraft in this region are typically oblique (reflection by a distant feature), so that they cannot be used to determine the peak altitude precisely. Nevertheless, the peak electron density can be in principle readily determined. However, in more than 90% of measurements the peak electron densities are too low to be detected. We focus on the time intervals of solar energetic particle (SEP) events. One may expect high energy particle precipitation into the nightside ionosphere to increase the electron density there. Thus, comparison of characteristics between SEP/no-SEP time intervals is important to understand the formation mechanism of the nightside ionosphere. The time intervals of SEP events are determined using the increase in the background counts recorded by the ion sensor (IMA) of the ASPERA-3 particle instrument on board Mars Express. Then we use MARSIS measurements to determine how much the nightside ionosphere is enhanced during these time intervals. We show that the peak electron densities during these periods are large enough to be detected in more than 30% of measurements, while the reflections from the ground almost entirely disappear, indicating that the nightside electron densities are tremendously increased as compared to the normal nightside conditions. The influence of various parameters on the formation of the nightside ionosphere is thoroughly discussed.

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

Gao, Ruilin; Yuan, Chengxun, E-mail: yuancx@hit.edu.cn, E-mail: zhouzx@hit.edu.cn; Jia, Jieshu

The interaction between microwave and large area plasma is crucially important for space communication. Gas pressure, input power, and plasma volume are critical to both the microwave electromagnetic wave phase shift and electron density. This paper presents a novel type of large coaxial gridded hollow cathode plasma having a 50 cm diameter and a 40 cm thickness. Microwave characteristics are studied using a microwave measurement system that includes two broadband antennae in the range from 2 GHz to 18 GHz. The phase shift under varying gas pressure and input power is shown. In addition, the electron density n{sub e}, whichmore » varies from 1.2 × 10{sup 16} m{sup −3} to 8.7 × 10{sup 16} m{sup −3} under different discharge conditions, is diagnosed by the microwave system. The measured results accord well with those acquired by Langmuir Probe measurement and show that the microwave properties in the large volume hollow cathode discharge significantly depend on the input power and gas pressure.« less

Ultra-fast computation of electronic spectra for large systems by tight-binding based simplified Tamm-Dancoff approximation (sTDA-xTB)

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

Grimme, Stefan, E-mail: grimme@thch.uni-bonn.de; Bannwarth, Christoph

2016-08-07

The computational bottleneck of the extremely fast simplified Tamm-Dancoff approximated (sTDA) time-dependent density functional theory procedure [S. Grimme, J. Chem. Phys. 138, 244104 (2013)] for the computation of electronic spectra for large systems is the determination of the ground state Kohn-Sham orbitals and eigenvalues. This limits such treatments to single structures with a few hundred atoms and hence, e.g., sampling along molecular dynamics trajectories for flexible systems or the calculation of chromophore aggregates is often not possible. The aim of this work is to solve this problem by a specifically designed semi-empirical tight binding (TB) procedure similar to the wellmore » established self-consistent-charge density functional TB scheme. The new special purpose method provides orbitals and orbital energies of hybrid density functional character for a subsequent and basically unmodified sTDA procedure. Compared to many previous semi-empirical excited state methods, an advantage of the ansatz is that a general eigenvalue problem in a non-orthogonal, extended atomic orbital basis is solved and therefore correct occupied/virtual orbital energy splittings as well as Rydberg levels are obtained. A key idea for the success of the new model is that the determination of atomic charges (describing an effective electron-electron interaction) and the one-particle spectrum is decoupled and treated by two differently parametrized Hamiltonians/basis sets. The three-diagonalization-step composite procedure can routinely compute broad range electronic spectra (0-8 eV) within minutes of computation time for systems composed of 500-1000 atoms with an accuracy typical of standard time-dependent density functional theory (0.3-0.5 eV average error). An easily extendable parametrization based on coupled-cluster and density functional computed reference data for the elements H–Zn including transition metals is described. The accuracy of the method termed sTDA-xTB is first benchmarked for vertical excitation energies of open- and closed-shell systems in comparison to other semi-empirical methods and applied to exemplary problems in electronic spectroscopy. As side products of the development, a robust and efficient valence electron TB method for the accurate determination of atomic charges as well as a more accurate calculation scheme of dipole rotatory strengths within the Tamm-Dancoff approximation is proposed.« less

Generation of forerunner electron beam during interaction of ion beam pulse with plasma

NASA Astrophysics Data System (ADS)

Hara, Kentaro; Kaganovich, Igor D.; Startsev, Edward A.

2018-01-01

The long-time evolution of the two-stream instability of a cold tenuous ion beam pulse propagating through the background plasma with density much higher than the ion beam density is investigated using a large-scale one-dimensional electrostatic kinetic simulation. The three stages of the instability are investigated in detail. After the initial linear growth and saturation by the electron trapping, a portion of the initially trapped electrons becomes detrapped and moves ahead of the ion beam pulse forming a forerunner electron beam, which causes a secondary two-stream instability that preheats the upstream plasma electrons. Consequently, the self-consistent nonlinear-driven turbulent state is set up at the head of the ion beam pulse with the saturated plasma wave sustained by the influx of the cold electrons from upstream of the beam that lasts until the final stage when the beam ions become trapped by the plasma wave. The beam ion trapping leads to the nonlinear heating of the beam ions that eventually extinguishes the instability.

Wet model of Saturn's ionosphere: Water from the rings

NASA Technical Reports Server (NTRS)

Connerney, J. E. P.; Waite, J. H.

1984-01-01

Current theoretical models of Saturn's ionosphere are difficult to reconcile with the ionospheric electron density profiles obtained from the Pioneer and Voyager radio occultation observations and the large diurnal variation of maximum ionospheric electron density deduced from studies of Saturn lightning discharges. A model of Saturn's ionosphere is proposed in which water plays a major role as a minor constituent present by virtue of downward diffusion from an external source. This model of the Saturn ionosphere is a classical 'F2' type layer resulting from the photodissociative production of H(+) from H2 and rapid chemical loss due to a series of charge exchange reactions with water. A planet-wide influx of about 4x10 to the 7th power molecules/sec/sq cm of water from the rings is consistent with the observed ionospheric electron densities and estimates of influx due to micrometeoride bombardment of the rings. An enhanced influx of water occurs at latitudes (-38 deg, +44 deg) magnetically connected to the inner edge of Saturn's B ring which results from an electromagnetic erosion process contributing substantially to the (local) upper atmosphere water content. Present day influx at these latitudes is possibly as large as 2x10 to the 9th power molecules/sec/sq cm.

Efficient mixing scheme for self-consistent all-electron charge density

NASA Astrophysics Data System (ADS)

Shishidou, Tatsuya; Weinert, Michael

2015-03-01

In standard ab initio density-functional theory calculations, the charge density ρ is gradually updated using the ``input'' and ``output'' densities of the current and previous iteration steps. To accelerate the convergence, Pulay mixing has been widely used with great success. It expresses an ``optimal'' input density ρopt and its ``residual'' Ropt by a linear combination of the densities of the iteration sequences. In large-scale metallic systems, however, the long range nature of Coulomb interaction often causes the ``charge sloshing'' phenomenon and significantly impacts the convergence. Two treatments, represented in reciprocal space, are known to suppress the sloshing: (i) the inverse Kerker metric for Pulay optimization and (ii) Kerker-type preconditioning in mixing Ropt. In all-electron methods, where the charge density does not have a converging Fourier representation, treatments equivalent or similar to (i) and (ii) have not been described so far. In this work, we show that, by going through the calculation of Hartree potential, one can accomplish the procedures (i) and (ii) without entering the reciprocal space. Test calculations are done with a FLAPW method.

Combining Density Functional Theory and Green's Function Theory: Range-Separated, Nonlocal, Dynamic, and Orbital-Dependent Hybrid Functional.

PubMed

Kananenka, Alexei A; Zgid, Dominika

2017-11-14

We present a rigorous framework which combines single-particle Green's function theory with density functional theory based on a separation of electron-electron interactions into short- and long-range components. Short-range contribution to the total energy and exchange-correlation potential is provided by a density functional approximation, while the long-range contribution is calculated using an explicit many-body Green's function method. Such a hybrid results in a nonlocal, dynamic, and orbital-dependent exchange-correlation functional of a single-particle Green's function. In particular, we present a range-separated hybrid functional called srSVWN5-lrGF2 which combines the local-density approximation and the second-order Green's function theory. We illustrate that similarly to density functional approximations, the new functional is weakly basis-set dependent. Furthermore, it offers an improved description of the short-range dynamic correlation. The many-body contribution to the functional mitigates the many-electron self-interaction error present in many density functional approximations and provides a better description of molecular properties. Additionally, we illustrate that the new functional can be used to scale down the self-energy and, therefore, introduce an additional sparsity to the self-energy matrix that in the future can be exploited in calculations for large molecules or periodic systems.

Dual-Gate Modulation of Carrier Density and Disorder in an Oxide Two-Dimensional Electron System

DOE PAGES

Chen, Zhuoyu; Yuan, Hongtao; Xie, Yanwu; ...

2016-09-08

Carrier density and disorder are two crucial parameters that control the properties of correlated two-dimensional electron systems. Furthermore, in order to disentangle their individual contributions to quantum phenomena, independent tuning of these two parameters is required. By utilizing a hybrid liquid/solid electric dual-gate geometry acting on the conducting LaAlO 3/SrTiO 3 heterointerface, we obtain an additional degree of freedom to strongly modify the electron confinement profile and thus the strength of interfacial scattering, independent from the carrier density. A dual-gate controlled nonlinear Hall effect is a direct manifestation of this profile, which can be quantitatively understood by a Poisson–Schrödinger sub-bandmore » model. In particular, the large nonlinear dielectric response of SrTiO 3 enables a very wide range of tunable density and disorder, far beyond that for conventional semiconductors. This study provides a broad framework for understanding various reported phenomena at the LaAlO 3/SrTiO 3 interface.« less

Effective scheme for partitioning covalent bonds in density-functional embedding theory: From molecules to extended covalent systems.

PubMed

Huang, Chen; Muñoz-García, Ana Belén; Pavone, Michele

2016-12-28

Density-functional embedding theory provides a general way to perform multi-physics quantum mechanics simulations of large-scale materials by dividing the total system's electron density into a cluster's density and its environment's density. It is then possible to compute the accurate local electronic structures and energetics of the embedded cluster with high-level methods, meanwhile retaining a low-level description of the environment. The prerequisite step in the density-functional embedding theory is the cluster definition. In covalent systems, cutting across the covalent bonds that connect the cluster and its environment leads to dangling bonds (unpaired electrons). These represent a major obstacle for the application of density-functional embedding theory to study extended covalent systems. In this work, we developed a simple scheme to define the cluster in covalent systems. Instead of cutting covalent bonds, we directly split the boundary atoms for maintaining the valency of the cluster. With this new covalent embedding scheme, we compute the dehydrogenation energies of several different molecules, as well as the binding energy of a cobalt atom on graphene. Well localized cluster densities are observed, which can facilitate the use of localized basis sets in high-level calculations. The results are found to converge faster with the embedding method than the other multi-physics approach ONIOM. This work paves the way to perform the density-functional embedding simulations of heterogeneous systems in which different types of chemical bonds are present.

Abnormal distribution of low-latitude ionospheric electron density during November 2004 superstorm as reconstructed by 3-D CT technique from IGS and LEO/GPS observations

NASA Astrophysics Data System (ADS)

Xiao, R.; Ma, S.; Xu, J.; Xiong, C.; Yan, W.; Luhr, H.; Jakowski, N.

2010-12-01

Using time-dependent 3-D tomography method, the electron density distributions in the mid- and low-latitude ionosphere are reconstructed from GPS observations of joint ground-based IGS network and onboard CHAMP/GRACE satellites during November 2004 super-storm. For LEO satellite-based GPS receiving, both the occultation TEC data and that along the radio propagation paths above the LEO are used. The electron density images versus latitude/altitude/longitude are reconstructed for different sectors of America/Asia/Europe and produced every hour. The reconstructed electron densities are validated by satellite in situ measurements of CHAMP Langmuir probe and GRACE Ka-band SST (low-low satellite-to-satellite tracking) derived electron density averaged between the two satellites, as well as by CIT simulations. It reveals some very interesting storm-time structures of Ne distributions, such as top-hat-like F2-3 double layer and column-like enhanced electron densities (CEED). The double layer structure appeared over a large latitude range from about -30 degree to 20 degree along East-Asian/Australia longitudes before local noon, looking like one additional smaller EIA structure standing above the usual one of EIA. It is consistent with the F-3 layer observed by ionosonde at an Australian low-latitude station. The CEED are found just 1-2 hours before the minimum of Dst and in the longitudinal sector about 157 E. They extend from the topside ionosphere toward plasmasphere, reaching at least about 2000 km as high. Their footprints stand on the two peaks of the EIA. This CEED is also seen in the image of 30.4 nm He ++ radiation by IMAGE, showing a narrow channel of enhanced density extending from afternoon ionosphere to plasmsphere westward. The forming mechanism of CEED and its relationship with SED and plasmaspheric plumes are worthy of further study. Acknowledgement: This work is supported by NSFC (No.40674078).

Quantum confinement effects on electronic photomobilities at nanostructured semiconductor surfaces: Si(111) without and with adsorbed Ag clusters

NASA Astrophysics Data System (ADS)

Hembree, Robert H.; Vazhappilly, Tijo; Micha, David A.

2017-12-01

The conductivity of holes and electrons photoexcited in Si slabs is affected by the slab thickness and by adsorbates. The mobilities of those charged carriers depend on how many layers compose the slab, and this has important scientific and technical consequences for the understanding of photovoltaic materials. A previously developed general computational procedure combining density matrix and electronic band structure treatments has been applied to extensive calculations of mobilities of photoexcited electrons and holes at Si(111) nanostructured surfaces with varying slab thickness and for varying photon energies, to investigate the expected change in mobility magnitudes as the slab thickness is increased. Results have been obtained with and without adsorbed silver clusters for comparison of their optical and photovoltaic properties. Band states were generated using a modified ab initio density functional treatment with the PBE exchange and correlation density functionals and with periodic boundary conditions for large atomic supercells. An energy gap correction was applied to the unoccupied orbital energies of each band structure by running more accurate HSE hybrid functional calculations for a Si(111) slab. Photoexcited state populations for slabs with 6, 8, 10, and 12 layers were generated using a steady state reduced density matrix including dissipative effects due to energy exchange with excitons and phonons in the medium. Mobilities have been calculated from the derivatives of voltage-driven electronic energies with respect to electronic momentum, for each energy band and for the average over bands. Results show two clear trends: (a) adding Ag increases the hole photomobilities and (b) decreasing the slab thickness increases hole photomobilities. The increased hole populations in 6- and 8-layer systems and the large increase in hole mobility for these thinner slabs can be interpreted as a quantum confinement effect of hole orbitals. As the slab thickness increases to ten and twelve layers, the effect of silver adsorbates decreases leading to smaller relative enhancements to the conduction electron and hole mobilities, but the addition of the silver nanoclusters still increases the absorbance of light and the mobility of holes compared to their mobilities in the pure Si slabs.

Materials, properties, and applications of nitrogen-doped organic semiconductors

NASA Astrophysics Data System (ADS)

Chan, Calvin Kar-Fai

As organic semiconducting materials draw increasing attention for many promising applications, including efficient organic light-emitting diodes (OLEDs), large-area organic photovoltaic (OPV) cells, and flexible organic thin-film transistors (OTFTs), chemical doping of organic materials is emerging as an important technique for overcoming performance deficiencies and material limitations of intrinsic organic films. Although p-doping has been amply demonstrated, molecular n-type doping has been difficult to study because of the inherent instability of easily oxidized n-dopants. In this work, the facile use of two low ionization energy (IE) small molecules that are suitable for n-doping a wide range of organic electronic materials is demonstrated. Cobaltocene (CoCp2) and its derivative, decamethylcobaltocene ( CoCp*2 ), were found to have fairly low IEs for organic compounds. Co-deposition of the n-dopants with different host molecules results in pronounced shifts of the Fermi-level towards unoccupied molecular states, indicating a significant increase in electron concentration. The Fermi-level shifts, measured with ultra-violet photoemission spectroscopy (UPS), are correlated with excess carrier densities using a model based on Fermi-Dirac (F-D) statistics and a Gaussian distributed density of states. The calculated electron densities suggest full dopant ionization at low concentrations, and diminished efficiency at high donor concentrations. The concentration of incorporated dopants is examined by chemical composition analysis of doped films using X-ray photoemission spectroscopy (XPS). Atomic concentration depth profiling determined by Rutherford backscattering (RBS) suggests that the incorporation of CoCp2 and CoCp*2 is well-controlled and the dopants are minimally diffusive. Organic films n-doped using CoCp2 and CoCp*2 show several orders of magnitude increase in current density resulting from both enhanced electron injection and increased electron conductivity in the bulk. Increases in the bulk conductivity suggest both improved electron mobility and higher electron concentrations. These findings are applied with previous work on p-doping to fabricate organic p-i-n homojunction devices that exhibit strong rectification and large built-in potentials. Heterojunction OPVs using undoped CuPc and n-doped C60 display significant increases in open-circuit voltage (Voc), short-circuit current (Isc), fill-factor (FF), and efficiency.

Transport simulation of EAST long-pulse H-mode discharge with integrated modeling

NASA Astrophysics Data System (ADS)

Wu, M. Q.; Li, G. Q.; Chen, J. L.; Du, H. F.; Gao, X.; Ren, Q. L.; Li, K.; Chan, Vincent; Pan, C. K.; Ding, S. Y.; Jian, X.; Zhu, X.; Lian, H.; Qian, J. P.; Gong, X. Z.; Zang, Q.; Duan, Y. M.; Liu, H. Q.; Lyu, B.

2018-04-01

In the 2017 EAST experimental campaign, a steady-state long-pulse H-mode discharge lasting longer than 100 s has been obtained using only radio frequency heating and current drive, and the confinement quality is slightly better than standard H-mode, H98y2 ~ 1.1, with stationary peaked electron temperature profiles. Integrated modeling of one long-pulse H-mode discharge in the 2016 EAST experimental campaign has been performed with equilibrium code EFIT, and transport codes TGYRO and ONETWO under integrated modeling framework OMFIT. The plasma current is fully-noninductively driven with a combination of ~2.2 MW LHW, ~0.3 MW ECH and ~1.1 MW ICRF. Time evolution of the predicted electron and ion temperature profiles through integrated modeling agree closely with that from measurements. The plasma current (I p ~ 0.45 MA) and electron density are kept constantly. A steady-state is achieved using integrated modeling, and the bootstrap current fraction is ~28%, the RF drive current fraction is ~72%. The predicted current density profile matches the experimental one well. Analysis shows that electron cyclotron heating (ECH) makes large contribution to the plasma confinement when heating in the core region while heating in large radius does smaller improvement, also a more peaked LHW driven current profile is got when heating in the core. Linear analysis shows that the high-k modes instability (electron temperature gradient driven modes) is suppressed in the core region where exists weak electron internal transport barriers. The trapped electron modes dominates in the low-k region, which is mainly responsible for driving the electron energy flux. It is found that the ECH heating effect is very local and not the main cause to sustained the good confinement, the peaked current density profile has the most important effect on plasma confinement improvement. Transport analysis of the long-pulse H-mode experiments on EAST will be helpful to build future experiments.

Measuring Mars' Atmospheric Neutral Density from 160 to 220km with the MGS Electron Reflectometer

NASA Astrophysics Data System (ADS)

Lillis, R.; Engel, J.; Mitchell, D.; Brain, D.; Lin, R.; Bougher, S.; Acuna, M.

2005-08-01

The Magnetometer/Electron Reflectometer (MAG/ER) experiment aboard Mars Global Surveyor (MGS) samples the local electron population's distribution in energy and pitch angle (angle between electron velocity and local magnetic field direction) at the mapping orbit altitude of ˜400km. We develop a single-particle model of the electrons' interaction with the neutral atmosphere and motion along open field-lines connecting the solar wind to remnant crustal magnetization. Electron reflection from magnetic gradients and absorption due to inelastic collisons with atmospheric neutrals results in characteristic pitch angle (PA) distributions for open field lines. By assuming the validity of spherical harmonic expansions (Cain et al, 2003) in the strongest field regions of Mars (such as Terra Sirenum), we trace the electron paths and fit these PA distributions to our model to constrain the scale height and density of the neutral atmosphere in the region of greatest absorption, 160-220km. We analyse almost 3 martian years of MGS mapping Orbit Data and present the first measurements of Mars' neutral density above 180km. Although the uncertainties in single measurements are quite large, averaging over many measurements over a period of weeks allows us to see long-term trends. Major results are: 1) a mean density of 0.03 kg/km3 at 160km with a month-averaged variation of ˜40%, 2) a very strong annual seasonal variation, confirmed by periodogram and least-squares fit and 3) increasing seasonal density variability with distance from the equator. We see broad general agreement with predictions from Mars Thermosphere Global Circulation Model (MTGCM) simulations [Bougher et al, 2004] and with inferred densities from MGS Doppler tracking data [Tracadas et al, 2001]. Our results will help to constrain the upper boundaries of GCMs and assist orbital decay calculations for low-orbiting spacecraft, such as the 2005 Mars Reconnaissance Orbiter. We thank the NASA Jet Propulsion Laboratory for funding assistance for this research.

Langmuir turbulence driven by beams in solar wind plasmas with long wavelength density fluctuations

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

Krafft, C., E-mail: catherine.krafft@u-psud.fr; Universite´ Paris Sud, 91405 Orsay Cedex; Volokitin, A., E-mail: a.volokitin@mail.ru

2016-03-25

The self-consistent evolution of Langmuir turbulence generated by electron beams in solar wind plasmas with density inhomogeneities is calculated by numerical simulations based on a 1D Hamiltonian model. It is shown, owing to numerical simulations performed with parameters relevant to type III solar bursts’ conditions at 1 AU, that the presence of long-wavelength random density fluctuations of sufficiently large average level crucially modifies the well-known process of beam interaction with Langmuir waves in homogeneous plasmas.

Characteristics of the three-half-turn-antenna-driven RF discharge in the Uragan-3M torsatron

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

Grigor’eva, L. I.; Chechkin, V. V., E-mail: chechkin@ipp.kharkov.ua; Moiseenko, V. E.

In the ℓ = 3 Uragan-3M torsatron hydrogen plasma is produced by RF fields in the Alfvén range of frequencies (ω ≤ ω{sub ci}). The initial (target) plasma with the line-averaged density of units 10{sup 12} cm{sup −3} is produced by a frame antenna with a broad spectrum of generated parallel wavenumbers. After this, to heat the plasma and bring its density to ∼10{sup 13} cm{sup –3}, another, shorter wavelength three-half-turn antenna with large transverse currents is used. The behavior of the density, electron temperature, and loss of the plasma supported by the three-half-turn antenna is studied depending on themore » RF power fed to the antenna and initial values of the density and electron temperature supplied by the frame antenna.« less

A Dual-Stimuli-Responsive Sodium-Bromine Battery with Ultrahigh Energy Density.

PubMed

Wang, Faxing; Yang, Hongliu; Zhang, Jian; Zhang, Panpan; Wang, Gang; Zhuang, Xiaodong; Cuniberti, Gianaurelio; Feng, Xinliang

2018-06-01

Stimuli-responsive energy storage devices have emerged for the fast-growing popularity of intelligent electronics. However, all previously reported stimuli-responsive energy storage devices have rather low energy densities (<250 Wh kg -1 ) and single stimuli-response, which seriously limit their application scopes in intelligent electronics. Herein, a dual-stimuli-responsive sodium-bromine (Na//Br 2 ) battery featuring ultrahigh energy density, electrochromic effect, and fast thermal response is demonstrated. Remarkably, the fabricated Na//Br 2 battery exhibits a large operating voltage of 3.3 V and an energy density up to 760 Wh kg -1 , which outperforms those for the state-of-the-art stimuli-responsive electrochemical energy storage devices. This work offers a promising approach for designing multi-stimuli-responsive and high-energy rechargeable batteries without sacrificing the electrochemical performance. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Controlling the ripple density and heights: a new way to improve the electrical performance of CVD-grown graphene.

PubMed

Park, Won-Hwa; Jo, Insu; Hong, Byung Hee; Cheong, Hyeonsik

2016-05-14

We report a new way to enhance the electrical performances of large area CVD-grown graphene through controlling the ripple density and heights after transfer onto SiO2/Si substrates by employing different cooling rates during fabrication. We find that graphene films prepared with a high cooling rate have reduced ripple density and heights and improved electrical characteristics such as higher electron/hole mobilities as well as reduced sheet resistance. The corresponding Raman analysis also shows a significant decrease of the defects when a higher cooling rate is employed. We suggest a model that explains the improved morphology of the graphene film obtained with higher cooling rates. From these points of view, we can suggest a new pathway toward a relatively lower density and heights of ripples in order to reduce the flexural phonon-electron scattering effect, leading to higher lateral carrier mobilities.

Density functional study of the structural, electronic, and magnetic properties of Mo n and Mo n S ( n = 1 - 10) clusters

NASA Astrophysics Data System (ADS)

Ziane, M.; Amitouche, F.; Bouarab, S.; Vega, A.

2017-12-01

Structural and electronic properties of pure molybdenum Mo n and molybdenum-sulfide Mo n S ( n = 1 - 10) clusters were investigated in the framework of the density functional theory within the generalized gradient approximation to exchange and correlation with the aim of addressing how doping with a single S atom affects the geometries, magnetic properties, and reactivity of pure molybdenum clusters. These clusters exhibit a less marked tendency to dimerization than their isoelectronic Cr counterparts despite sharing their half-filled valence shell configuration. Doping with a single S impurity is enough to change the structure of the host molybdenum cluster to a large extent, as well as to modify the bonding pattern, the magnetic state and the magnetic moment distribution in the Mo host. Vertical ionization potentials and electron affinities are calculated to determine global reactivity indicators like the electronegativity and the chemical hardness. The results are discussed in terms of the thermodynamical and relative stabilities, charge transfer effects, and spin-polarized densities of electronic states.

Scanning EM of non-heavy metal stained biosamples: Large-field of view, high contrast and highly efficient immunolabeling

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

Kuipers, Jeroen; Boer, Pascal de; Giepmans, Ben N.G., E-mail: b.n.g.giepmans@umcg.nl

Scanning electron microscopy (SEM) is increasing its application in life sciences for electron density measurements of ultrathin sections. These are traditionally analyzed with transmission electron microscopy (TEM); by most labs, SEM analysis still is associated with surface imaging only. Here we report several advantages of SEM for thin sections over TEM, both for structural inspection, as well as analyzing immuno-targeted labels such as quantum dots (QDs) and gold, where we find that QD-labeling is ten times more efficient than gold-labeling. Furthermore, we find that omitting post-staining with uranyl and lead leads to QDs readily detectable over the ultrastructure, but undermore » these conditions ultrastructural contrast was even almost invisible in TEM examination. Importantly, imaging in SEM with STEM detection leads to both outstanding QDs and ultrastructural contrast. STEM imaging is superior over back-scattered electron imaging of these non-contrasted samples, whereas secondary electron detection cannot be used at all. We conclude that examination of ultrathin sections by SEM, which may be immunolabeled with QDs, will allow rapid and straightforward analysis of large fields with more efficient labeling than can be achieved with immunogold. The large fields of view routinely achieved with SEM, but not with TEM, allows straightforward raw data sharing using virtual microscopy, also known as nanotomy when this concerns EM data in the life sciences. - Highlights: • High resolution and large fields of view via nanotomy or virtual microscopy. • Highly relevant for EM‐datasets where information density is high. • Sample preparation with low contrast good for STEM, not TEM. • Quantum dots now stand out in STEM‐based detection. • 10 Times more efficient labeling with quantum dots compared to gold.« less

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

Forme, F.R.E.; Fontaine, D.; Wahlund, J.E.

UHF and VHF data for the EISCAT incoherent scatter radar facility in northern Scandinavia is presented. Electron and ion temperatures, electron density, and ion drift velocity were measured from heights of 280 to 1500 km. Enhanced ion acoustic fluctuations are more observable with VHF than UHF radar due to wavelength effects. The fluctuations are usually associated with a large flux of precipitating electrons with energies from 100 ev to 10 kev. The spatial extent of the turbulent regions are determined. 23 refs., 6 figs.

Statistical density modification using local pattern matching

DOEpatents

Terwilliger, Thomas C.

2007-01-23

A computer implemented method modifies an experimental electron density map. A set of selected known experimental and model electron density maps is provided and standard templates of electron density are created from the selected experimental and model electron density maps by clustering and averaging values of electron density in a spherical region about each point in a grid that defines each selected known experimental and model electron density maps. Histograms are also created from the selected experimental and model electron density maps that relate the value of electron density at the center of each of the spherical regions to a correlation coefficient of a density surrounding each corresponding grid point in each one of the standard templates. The standard templates and the histograms are applied to grid points on the experimental electron density map to form new estimates of electron density at each grid point in the experimental electron density map.

Quantitative analysis of intermolecular interactions in orthorhombic rubrene

DOE PAGES

Hathwar, Venkatesha R.; Sist, Mattia; Jørgensen, Mads R. V.; ...

2015-08-14

Rubrene is one of the most studied organic semiconductors to date due to its high charge carrier mobility which makes it a potentially applicable compound in modern electronic devices. Previous electronic device characterizations and first principles theoretical calculations assigned the semiconducting properties of rubrene to the presence of a large overlap of the extended π-conjugated core between molecules. We present here the electron density distribution in rubrene at 20 K and at 100 K obtained using a combination of high-resolution X-ray and neutron diffraction data. The topology of the electron density and energies of intermolecular interactions are studied quantitatively. Specifically,more » the presence of C π...C πinteractions between neighbouring tetracene backbones of the rubrene molecules is experimentally confirmed from a topological analysis of the electron density, Non-Covalent Interaction (NCI) analysis and the calculated interaction energy of molecular dimers. A significant contribution to the lattice energy of the crystal is provided by H—H interactions. The electron density features of H—H bonding, and the interaction energy of molecular dimers connected by H—H interaction clearly demonstrate an importance of these weak interactions in the stabilization of the crystal structure. Finally, the quantitative nature of the intermolecular interactions is virtually unchanged between 20 K and 100 K suggesting that any changes in carrier transport at these low temperatures would have a different origin. The obtained experimental results are further supported by theoretical calculations.« less

Improved analysis techniques for cylindrical and spherical double probes.

PubMed

Beal, Brian; Johnson, Lee; Brown, Daniel; Blakely, Joseph; Bromaghim, Daron

2012-07-01

A versatile double Langmuir probe technique has been developed by incorporating analytical fits to Laframboise's numerical results for ion current collection by biased electrodes of various sizes relative to the local electron Debye length. Application of these fits to the double probe circuit has produced a set of coupled equations that express the potential of each electrode relative to the plasma potential as well as the resulting probe current as a function of applied probe voltage. These equations can be readily solved via standard numerical techniques in order to determine electron temperature and plasma density from probe current and voltage measurements. Because this method self-consistently accounts for the effects of sheath expansion, it can be readily applied to plasmas with a wide range of densities and low ion temperature (T(i)/T(e) ≪ 1) without requiring probe dimensions to be asymptotically large or small with respect to the electron Debye length. The presented approach has been successfully applied to experimental measurements obtained in the plume of a low-power Hall thruster, which produced a quasineutral, flowing xenon plasma during operation at 200 W on xenon. The measured plasma densities and electron temperatures were in the range of 1 × 10(12)-1 × 10(17) m(-3) and 0.5-5.0 eV, respectively. The estimated measurement uncertainty is +6%∕-34% in density and +∕-30% in electron temperature.

Negative ion kinetics in RF glow discharges

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

Gottscho, R.A.; Gacbe, C.E.

1986-04-01

Using temporally and spatially resolved laser spectroscopy, the authors have determined the identities, approximate concentrations, effects on the local field, and kinetics of formation and loss of negative ions in RF discharges. CI/sup -/ and BCI/sub 3//sup -/ are the dominant negative ions found in low-frequency discharges through CI/sub 2/ and BCI/sub 3/, respectively. The electron affinity for CI is measured to be 3.6118 +- 0.0005 eV. Negative ion kinetics are strongly affected by application of the RF field. Formation of negative ions by attachment of slow electrons in RF discharges is governed by the extent and duration of electronmore » energy relaxation. Similarly, destruction of negative ions by collisional detachment and field extraction is dependent upon ion energy modulation. Thus, at low frequency, the anion density peaks at the beginning of the anodic and cathodic half-cycles after electrons have attached but before detachment and extraction have had time to occur. At higher frequencies, electrons have insufficient time to attach before they are reheated and the instantaneous anion density in the sheath is greatly reduced. When the negative ion density is comparable to the positive ion density, the plasma potential is observed to lie below the anode potential, double layers form between sheath and plasma, and anions and electrons are accelerated by large sheath fields to electrode surfaces.« less

A computational study on the electronic and field emission properties of Mg and Si doped AlN nanocones

NASA Astrophysics Data System (ADS)

Saedi, Leila; Soleymanabadi, Hamed; Panahyab, Ataollah

2018-05-01

Following an experimental work, we explored the effect of replacing an Al atom of an AlN nanocone by Si or Mg atom on its electronic and field emission properties using density functional theory calculations. We found that both Si-doping and Mg-doping increase the electrical conductivity of AlN nanocone, but their influences on the filed emission properties are significantly different. The Si-doping increases the electron concentration of AlN nanocone and results in a large electron mobility and a low work function, whereas Mg-doping leads to a high hole concentration below the conduction level and increases the work function in agreement with the experimental results. It is predicted that Si-doped AlN nanocones show excellent filed emission performance with higher emitted electron current density compared to the pristine AlN nanocone. But the Mg-doping meaningfully decreases the emitted electron current density from the surface of AlN nanocone. The Mg-doping can increase the work function about 41.9% and the Si-doping can decrease it about 6.3%. The Mg-doping and Si-doping convert the AlN nanocone to a p-type and n-type semiconductors, respectively. Our results explain in a molecular level what observed in the experiment.

A simulation study of interactions of space-shuttle generated electron beams with ambient plasma and neutral gas

NASA Technical Reports Server (NTRS)

Winglee, Robert M.

1991-01-01

The objective was to conduct large scale simulations of electron beams injected into space. The study of the active injection of electron beams from spacecraft is important, as it provides valuable insight into the plasma beam interactions and the development of current systems in the ionosphere. However, the beam injection itself is not simple, being constrained by the ability of the spacecraft to draw current from the ambient plasma. The generation of these return currents is dependent on several factors, including the density of the ambient plasma relative to the beam density, the presence of neutrals around the spacecraft, the configuration of the spacecraft, and the motion of the spacecraft through the plasma. Two dimensional (three velocity) particle simulations with collisional processes included are used to show how these different and often coupled processes can be used to enhance beam propagation from the spacecraft. To understand the radial expansion mechanism of an electron beam injected from a highly charged spacecraft, two dimensional particle-in-cell simulations were conducted for a high density electron beam injected parallel to magnetic fields from an isolated equipotential conductor into a cold background plasma. The simulations indicate that charge build-up at the beam stagnation point causes the beam to expand radially to the beam electron gyroradius.

A simulation study of interactions of Space-Shuttle generated electron beams with ambient plasma and neutral gas

NASA Technical Reports Server (NTRS)

1991-01-01

The object was to conduct large scale simulations of electron beams injected into space. The study of active injection of electron beams from spacecraft is important since it provides valuable insight into beam-plasma interactions and the development of current systems in the ionosphere. However, the beam injection itself is not simple, being constrained by the ability of the spacecraft to draw return current from the ambient plasma. The generation of these return currents is dependent on several factors, including the density of the ambient plasma relative to the beam density, the presence of neutrals around the spacecraft, the configuration of the spacecraft, and the motion of the spacecraft through the plasma. Two dimensional particle simulations with collisional processes included are used to show how these different and often coupled processes can be utilized to enhance beam propagation from the spacecraft. To understand the radical expansion of mechanism of an electron beam from a highly charged spacecraft, two dimensional particle in cell simulations were conducted for a high density electron beam injected parallel to magnetic fields from an isolated equipotential conductor into a cold background plasma. The simulations indicate that charge buildup at the beam stagnation point causes the beam to expand radially to the beam electron gyroradius.

Tunable Magneto-electric Subbands in Oxide Electron Waveguides

NASA Astrophysics Data System (ADS)

Cheng, Guanglei; Annadi, Anil; Lu, Shicheng; Lee, Hyungwoo; Lee, Jungwoo; Eom, Chang-Beom; Huang, Mengchen; Irvin, Patrick; Levy, Jeremy

Strontium titanate-based complex-oxide interfaces hold great promise for exploring new correlated electron physics and applications in quantum technologies. Previous reports show electron mobility can be greatly enhanced in 1D, while the 2D interface can contain 1D channels due to the presence of ferroelastic domains. In addition, carrier density measurements at the 2D interface by Shubnikov-de Haas (SdH) oscillations and Hall effect reveal a large discrepancy. Here we fabricate quasi-1D electron waveguides at the LaAlO3/SrTiO3 (LAO/STO) interface to locally probe the interface. The conductance of the waveguides is fully quantized, and the corresponding magneto-electric subbands can be depopulated by increasing the magnetic field. The 2D carrier densities (1012 cm-2) extracted from magnetic depopulation are consistent with measurements by SdH oscillations at the 2D interface. Our results show that magneto-electric subbands of quasi-1D electron waveguides can reproduce known SdH signatures without discrepancies in electron density, and suggest that 2D SdH measurements may also arise from quasi-1D channels. We gratefully acknowledge financial support from AFOSR (FA9550-12-1- 0057 (JL) and FA9550-12-1-0342 (CBE)), ONR N00014-15-1-2847 (JL), and NSF DMR-1234096 (CBE).

First measurement of time evolution of electron temperature profiles with Nd:YAG Thomson scattering system on Heliotron J

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

Kenmochi, N., E-mail: kemmchi.naoki.62r@st.kyoto-u.ac.jp; Tei, S.; Zang, L.

2014-11-15

A Nd:YAG Thomson scattering system has been developed for Heliotron J. The system consists of two 550 mJ 50 Hz lasers, large collection optics, and 25 radial channel (∼1 cm spatial resolution) interference polychromators. This measurement system achieves a S/N ratio of ∼50 for low-density plasma (n{sub e} ∼ 0.5 × 10{sup 19} m{sup −3}). A time evolution of electron temperature profiles was measured with this system for a high-intensity gas-puff (HIGP) fueling neutral-beam-injection plasma. The peripheral temperature of the higher-density phase after HIGP recovers to the low-density pre-HIGP level, suggesting that improving particle transport in the HIGP plasma maymore » be possible.« less

Existence domains of arbitrary amplitude nonlinear structures in two-electron temperature space plasmas. II. High-frequency electron-acoustic solitons

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

Maharaj, S. K.; Bharuthram, R.; Singh, S. V.

2012-12-15

A three-component plasma model composed of ions, cool electrons, and hot electrons is adopted to investigate the existence of large amplitude electron-acoustic solitons not only for the model for which inertia and pressure are retained for all plasma species which are assumed to be adiabatic but also neglecting inertial effects of the hot electrons. Using the Sagdeev potential formalism, the Mach number ranges supporting the existence of large amplitude electron-acoustic solitons are presented. The limitations on the attainable amplitudes of electron-acoustic solitons having negative potentials are attributed to a number of different physical reasons, such as the number density ofmore » either the cool electrons or hot electrons ceases to be real valued beyond the upper Mach number limit, or, alternatively, a negative potential double layer occurs. Electron-acoustic solitons having positive potentials are found to be supported only if inertial effects of the hot electrons are retained and these are found to be limited only by positive potential double layers.« less

Fast Electron Deposition in Laser Shock Compressed Plastic Targets

NASA Astrophysics Data System (ADS)

Hall, T. A.; Ellwi, S.; Batani, D.; Bernardinello, A.; Masella, V.; Koenig, M.; Benuzzi, A.; Krishnan, J.; Pisani, F.; Djaoui, A.; Norreys, P.; Neely, D.; Rose, S.; Key, M. H.; Fews, P.

1998-08-01

We present the first results of fast electron deposition in a laser shock compressed plasma. The interaction of a 3 ps, 15 J laser pulse with solid polyethylene targets is used to produce fast electrons on one side of foil targets and a 2 ns duration laser pulse is used to drive a shock wave into the target from the opposite side. Kα emission from chlorine fluor buried layers is used to measure the electron transport. The hot electron range in the shock compressed plastic is found to be approximately twice as large as the range in the solid density plastic.

Highly-Ordered 3D Vertical Resistive Switching Memory Arrays with Ultralow Power Consumption and Ultrahigh Density.

PubMed

Al-Haddad, Ahmed; Wang, Chengliang; Qi, Haoyuan; Grote, Fabian; Wen, Liaoyong; Bernhard, Jörg; Vellacheri, Ranjith; Tarish, Samar; Nabi, Ghulam; Kaiser, Ute; Lei, Yong

2016-09-07

Resistive switching random access memories (RRAM) have attracted great scientific and industrial attention for next generation data storage because of their advantages of nonvolatile properties, high density, low power consumption, fast writing/erasing speed, good endurance, and simple and small operation system. Here, by using a template-assisted technique, we demonstrate a three-dimensional highly ordered vertical RRAM device array with density as high as that of the nanopores of the template (10(8)-10(9) cm(-2)), which can also be fabricated in large area. The high crystallinity of the materials, the large contact area and the intimate semiconductor/electrode interface (3 nm interfacial layer) make the ultralow voltage operation (millivolt magnitude) and ultralow power consumption (picowatt) possible. Our procedure for fabrication of the nanodevice arrays in large area can be used for producing many other different materials and such three-dimensional electronic device arrays with the capability to adjust the device densities can be extended to other applications of the next generation nanodevice technology.

Electronic Transport and Possible Superconductivity at Van Hove Singularities in Carbon Nanotubes.

PubMed

Yang, Y; Fedorov, G; Shafranjuk, S E; Klapwijk, T M; Cooper, B K; Lewis, R M; Lobb, C J; Barbara, P

2015-12-09

Van Hove singularities (VHSs) are a hallmark of reduced dimensionality, leading to a divergent density of states in one and two dimensions and predictions of new electronic properties when the Fermi energy is close to these divergences. In carbon nanotubes, VHSs mark the onset of new subbands. They are elusive in standard electronic transport characterization measurements because they do not typically appear as notable features and therefore their effect on the nanotube conductance is largely unexplored. Here we report conductance measurements of carbon nanotubes where VHSs are clearly revealed by interference patterns of the electronic wave functions, showing both a sharp increase of quantum capacitance, and a sharp reduction of energy level spacing, consistent with an upsurge of density of states. At VHSs, we also measure an anomalous increase of conductance below a temperature of about 30 K. We argue that this transport feature is consistent with the formation of Cooper pairs in the nanotube.

Radar and photometric measurements of an intense type A red aurora

NASA Technical Reports Server (NTRS)

Robinson, R. M.; Mende, S. B.; Vondrak, R. R.; Kozyra, J. U.; Nagy, A. F.

1985-01-01

On the evening of March 5, 1981, an intense, type A red aurora appeared over southern Alaska. Radar and photometric measurements were made of the aurora from the Chatanika radar site. The line of sight intensity of the 630.0-nm emissions exceeded 150 kR and was accompanied by enhanced emissions at 486.1 and 427.8 nm. The Chatanika radar measured electron densities of 10 to the 6th per cu cm and electron temperatures of 6000 K at an altitude of 400 km and an invariant latitude of 59 deg in association with the aurora. Comparison of optical and radar measurements indicated that the 630.0-nm emissions were produced to a large degree by thermal excitation of O(1D) in the region of high electron temperatures and densities. Model calculations indicate that the observed density and temperature enhancements and the related optical emissions were the results of a relatively short duration (5-10 min) pulse of precipitating, low-energy (about 30 eV) electrons. Whereas conventional stable auroral red arcs are associated with a gradual decrease in ring current energy density during the recovery phase of a magnetic storm, the type A red aurora may be produced by impulsive ring current energy loss during the main phase.

Coulomb disorder in three-dimensional Dirac materials

NASA Astrophysics Data System (ADS)

Skinner, Brian

2015-03-01

In three-dimensional materials with a Dirac spectrum, weak short-ranged disorder is essentially irrelevant near the Dirac point. This is manifestly not the case for Coulomb disorder, where the long-ranged nature of the potential produced by charged impurities implies large fluctuations of the disorder potential even when impurities are sparse, and these fluctuations are screened by the formation of electron/hole puddles. Here I outline a theory of such nonlinear screening of Coulomb disorder in three-dimensional Dirac systems, and present results for the typical magnitude of the disorder potential, the corresponding density of states, and the size and density of electron/hole puddles. The resulting conductivity is also discussed.

Short-interval multi-laser Thomson scattering measurements of hydrogen pellet ablation in LHD.

PubMed

Yasuhara, R; Sakamoto, R; Yamada, I; Motojima, G; Hayashi, H

2014-11-01

Thomson scattering forms an important aspect of measuring the electron density and temperature profiles of plasmas. In this study, we demonstrate Thomson scattering measurements obtained over a short interval (<1 ms) by using an event triggering system with a multi-laser configuration. We attempt to use our system to obtain the electron temperature and density profiles before and immediately after pellet injection into the large helical device. The obtained profiles exhibit dramatic changes after pellet injection as per our shot-by-shot measurements. We believe that this measurement technique will contribute towards a better understanding of the physics of the pellet deposition.

Short-interval multi-laser Thomson scattering measurements of hydrogen pellet ablation in LHD

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

Yasuhara, R., E-mail: yasuhara@nifs.ac.jp; Sakamoto, R.; Yamada, I.

2014-11-15

Thomson scattering forms an important aspect of measuring the electron density and temperature profiles of plasmas. In this study, we demonstrate Thomson scattering measurements obtained over a short interval (<1 ms) by using an event triggering system with a multi-laser configuration. We attempt to use our system to obtain the electron temperature and density profiles before and immediately after pellet injection into the large helical device. The obtained profiles exhibit dramatic changes after pellet injection as per our shot-by-shot measurements. We believe that this measurement technique will contribute towards a better understanding of the physics of the pellet deposition.

Experimental Simulation of the Interaction of Biased Solar Arrays with the Space Plasma

NASA Technical Reports Server (NTRS)

Kaufman, H. R.; Robinson, R. S.

1981-01-01

The phenomenon of unexpectedly large leakage currents collected by small exposed areas of high voltage solar arrays operating in a plasma environment was investigated. Polyimide (Kapton) was the insulating material used in all tests. Both positive bias (electron collection) and negative bias (ion collection) tests were performed. A mode change in the electron collection mechanism was associated with a glow discharge process and was found to be related to the neutral background density. Results indicate that the glow discharge collection mode does not occur in a space environment where the background density is considerably lower than that of the vacuum facility used.

Counterintuitive electron localisation from density-functional theory with polarisable solvent models

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

Dale, Stephen G., E-mail: sdale@ucmerced.edu; Johnson, Erin R., E-mail: erin.johnson@dal.ca

2015-11-14

Exploration of the solvated electron phenomena using density-functional theory (DFT) generally results in prediction of a localised electron within an induced solvent cavity. However, it is well known that DFT favours highly delocalised charges, rendering the localisation of a solvated electron unexpected. We explore the origins of this counterintuitive behaviour using a model Kevan-structure system. When a polarisable-continuum solvent model is included, it forces electron localisation by introducing a strong energetic bias that favours integer charges. This results in the formation of a large energetic barrier for charge-hopping and can cause the self-consistent field to become trapped in local minimamore » thus converging to stable solutions that are higher in energy than the ground electronic state. Finally, since the bias towards integer charges is caused by the polarisable continuum, these findings will also apply to other classical polarisation corrections, as in combined quantum mechanics and molecular mechanics (QM/MM) methods. The implications for systems beyond the solvated electron, including cationic DNA bases, are discussed.« less

Dephasing of LO-phonon-plasmon hybrid modes in n-type GaAs

NASA Astrophysics Data System (ADS)

Vallée, F.; Ganikhanov, F.; Bogani, F.

1997-11-01

The relaxation dynamics of coherent phononlike LO-phonon-plasmon hybrid modes is investigated in n-doped GaAs using an infrared time-resolved coherent anti-Stokes Raman scattering technique. Measurements performed for different crystal temperatures in the range 10-300 K as a function of the electron density injected by doping show a large reduction of the hybrid mode dephasing time compared to the bare LO-phonon one for densities larger than 1016 cm-3. The results are interpreted in terms of coherent decay of the LO-phonon-plasmon mixed mode in the weak-coupling regime and yield information on the plasmon and electron relaxation. The estimated average electron momentum relaxation times are smaller than those deduced from Hall mobility measurements, as expected from our theoretical model.

Coverage evolution of the unoccupied Density of States in sulfur superstructures on Ru(0001)

NASA Astrophysics Data System (ADS)

Pisarra, M.; Bernardo-Gavito, R.; Navarro, J. J.; Black, A.; Díaz, C.; Calleja, F.; Granados, D.; Miranda, R.; Martín, F.; Vázquez de Parga, A. L.

2018-03-01

Sulfur adsorbed on Ru(0001) presents a large number of ordered structures. This characteristic makes S/Ru(0001) the ideal system to investigate the effect of different periodicities on the electronic properties of interfaces. We have performed scanning tunneling microscopy/spectroscopy experiments and density functional theory calculations showing that a sulfur adlayer generates interface states inside the Γ directional gap of Ru(0001) and that the position of such states varies monotonically with sulfur coverage. This is the result of the interplay between band folding effects arising from the new periodicity of the system and electron localization on the sulfur monolayer. As a consequence, by varying the amount of sulfur in S/Ru(0001) one can control the electronic properties of these interfacial materials.

Electronic Excitations in Solution: The Interplay between State Specific Approaches and a Time-Dependent Density Functional Theory Description.

PubMed

Guido, Ciro A; Jacquemin, Denis; Adamo, Carlo; Mennucci, Benedetta

2015-12-08

We critically analyze the performances of continuum solvation models when coupled to time-dependent density functional theory (TD-DFT) to predict solvent effects on both absorption and emission energies of chromophores in solution. Different polarization schemes of the polarizable continuum model (PCM), such as linear response (LR) and three different state specific (SS) approaches, are considered and compared. We show the necessity of introducing a SS model in cases where large electron density rearrangements are involved in the excitations, such as charge-transfer transitions in both twisted and quadrupolar compounds, and underline the very delicate interplay between the selected polarization method and the chosen exchange-correlation functional. This interplay originates in the different descriptions of the transition and ground/excited state multipolar moments by the different functionals. As a result, the choice of both the DFT functional and the solvent polarization scheme has to be consistent with the nature of the studied electronic excitation.

Final Technical Report [Scalable methods for electronic excitations and optical responses of nanostructures: mathematics to algorithms to observables

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

Saad, Yousef

2014-03-19

The master project under which this work is funded had as its main objective to develop computational methods for modeling electronic excited-state and optical properties of various nanostructures. The specific goals of the computer science group were primarily to develop effective numerical algorithms in Density Functional Theory (DFT) and Time Dependent Density Functional Theory (TDDFT). There were essentially four distinct stated objectives. The first objective was to study and develop effective numerical algorithms for solving large eigenvalue problems such as those that arise in Density Functional Theory (DFT) methods. The second objective was to explore so-called linear scaling methods ormore » Methods that avoid diagonalization. The third was to develop effective approaches for Time-Dependent DFT (TDDFT). Our fourth and final objective was to examine effective solution strategies for other problems in electronic excitations, such as the GW/Bethe-Salpeter method, and quantum transport problems.« less

Ambipolar surface state thermoelectric power of topological insulator Bi2Se3.

PubMed

Kim, Dohun; Syers, Paul; Butch, Nicholas P; Paglione, Johnpierre; Fuhrer, Michael S

2014-01-01

We measure gate-tuned thermoelectric power of mechanically exfoliated Bi2Se3 thin films in the topological insulator regime. The sign of the thermoelectric power changes across the charge neutrality point as the majority carrier type switches from electron to hole, consistent with the ambipolar electric field effect observed in conductivity and Hall effect measurements. Near the charge neutrality point and at low temperatures, the gate-dependent thermoelectric power follows the semiclassical Mott relation using the expected surface state density of states but is larger than expected at high electron doping, possibly reflecting a large density of states in the bulk gap. The thermoelectric power factor shows significant enhancement near the electron-hole puddle carrier density ∼0.5 × 10(12) cm(-2) per surface at all temperatures. Together with the expected reduction of lattice thermal conductivity in low-dimensional structures, the results demonstrate that nanostructuring and Fermi level tuning of three-dimensional topological insulators can be promising routes to realize efficient thermoelectric devices.

TEMPy: a Python library for assessment of three-dimensional electron microscopy density fits.

PubMed

Farabella, Irene; Vasishtan, Daven; Joseph, Agnel Praveen; Pandurangan, Arun Prasad; Sahota, Harpal; Topf, Maya

2015-08-01

Three-dimensional electron microscopy is currently one of the most promising techniques used to study macromolecular assemblies. Rigid and flexible fitting of atomic models into density maps is often essential to gain further insights into the assemblies they represent. Currently, tools that facilitate the assessment of fitted atomic models and maps are needed. TEMPy (template and electron microscopy comparison using Python) is a toolkit designed for this purpose. The library includes a set of methods to assess density fits in intermediate-to-low resolution maps, both globally and locally. It also provides procedures for single-fit assessment, ensemble generation of fits, clustering, and multiple and consensus scoring, as well as plots and output files for visualization purposes to help the user in analysing rigid and flexible fits. The modular nature of TEMPy helps the integration of scoring and assessment of fits into large pipelines, making it a tool suitable for both novice and expert structural biologists.

UHF Radar observations at HAARP with HF pump frequencies near electron gyro-harmonics and associated ionospheric effects

NASA Astrophysics Data System (ADS)

Watkins, Brenton; Fallen, Christopher; Secan, James

Results for HF modification experiments at the HAARP facility in Alaska are presented for experiments with the HF pump frequency near third and fourth electron gyro-harmonics. A UHF diagnostic radar with range resolution of 600 m was used to determine time-dependent altitudes of scattering from plasma turbulence during heating experiments. Experiments were conducted with multiple HF frequencies stepped by 20 kHz above and below the gyro-harmonic values. During times of HF heating the HAARP facility has sufficient power to enhance large-scale ionospheric densities in the lower ionosphere (about 150-200 km altitude) and also in the topside ionosphere (above about 350 km). In the lower ionosphere, time-dependent decreases of the altitude of radar scatter result from electron density enhancements. The effects are substantially different even for relatively small frequency steps of 20 kHz. In all cases the time-varying altitude decrease of radar scatter stops about 5-10 km below the gyro-harmonic altitude that is frequency dependent; we infer that electron density enhancements stop at this altitude where the radar signals stop decreasing with altitude. Experiments with corresponding total electron content (TEC) data show that for HF interaction altitudes above about 170 km there is substantial topside electron density increases due to upward electron thermal conduction. For lower altitudes of HF interaction the majority of the thermal energy is transferred to the neutral gas and no significant topside density increases are observed. By selecting an appropriate HF frequency a little greater than the gyro-harmonic value we have demonstrated that the ionospheric response to HF heating is a self-oscillating mode where the HF interaction altitude moves up and down with a period of several minutes. If the interaction region is above about 170 km this also produces a continuously enhanced topside electron density and upward plasma flux. Experiments using an FM scan with the HF frequency increasing near the gyro-harmonic value were conducted. The FM scan rate was sufficiently slow that the electron density was approximately in an equilibrium state. For these experiments the altitude of the HF interaction follows a near straight line downward parallel to the altitude-dependent gyro-harmonic level.

Artificial plasma cusp generated by upper hybrid instabilities in HF heating experiments at HAARP

NASA Astrophysics Data System (ADS)

Kuo, Spencer; Snyder, Arnold

2013-05-01

High Frequency Active Auroral Research Program digisonde was operated in a fast mode to record ionospheric modifications by the HF heating wave. With the O mode heater of 3.2 MHz turned on for 2 min, significant virtual height spread was observed in the heater off ionograms, acquired beginning the moment the heater turned off. Moreover, there is a noticeable bump in the virtual height spread of the ionogram trace that appears next to the plasma frequency (~ 2.88 MHz) of the upper hybrid resonance layer of the HF heating wave. The enhanced spread and the bump disappear in the subsequent heater off ionograms recorded 1 min later. The height distribution of the ionosphere in the spread situation indicates that both electron density and temperature increases exceed 10% over a large altitude region (> 30 km) from below to above the upper hybrid resonance layer. This "mini cusp" (bump) is similar to the cusp occurring in daytime ionograms at the F1-F2 layer transition, indicating that there is a small ledge in the density profile reminiscent of F1-F2 layer transitions. Two parametric processes exciting upper hybrid waves as the sidebands by the HF heating waves are studied. Field-aligned purely growing mode and lower hybrid wave are the respective decay modes. The excited upper hybrid and lower hybrid waves introduce the anomalous electron heating which results in the ionization enhancement and localized density ledge. The large-scale density irregularities formed in the heat flow, together with the density irregularities formed through the parametric instability, give rise to the enhanced virtual height spread. The results of upper hybrid instability analysis are also applied to explain the descending feature in the development of the artificial ionization layers observed in electron cyclotron harmonic resonance heating experiments.

Complex Stoichiometry reordering of PTCDA on Ag(111) upon K Intercalation

NASA Astrophysics Data System (ADS)

Brivio, G. P.; Baby, A.; Zwick, C.; Gruenewald, M.; Forker, R.; Fritz, T.; Fratesi, G.; Hofmann, O. T.; Zojer, E.

Alkali metal atoms are a simple yet efficient n-type dopant of organic semiconductors. However, the molecular crystal structures need be controlled and well understood in order to optimize the electronic properties (charge carrier density and mobility) of the target material. Here, we report that potassium intercalation into PTCDA monolayer domains on a Ag(111) substrate induces distinct stoichiometry-dependent structural reordering processes, resulting in highly ordered and large KxPTCDA domains. The emerging structures are analyzed by low temperature scanning tunneling microscopy (STM), scanning tunneling hydrogen microscopy (STHM), and low-energy electron diffraction (LEED) as a function of the stoichiometry and by density functional theory (DFT) calculations. Large stable monolayer domains are found for x=2,4. The epitaxy types for all intercalated stages are determined as point-on-line. The K atoms adsorb in the vicinity of the oxygen atoms of the PTCDA molecules, and their positions are determined with sub-Angstrom precision. This is a crucial prerequisite for the prospective assessment of the electronic properties of such composite films, as they depend on the mutual alignment between donor atoms and acceptor molecules.

Suppressing magnetic island growth by resonant magnetic perturbation

NASA Astrophysics Data System (ADS)

Yu, Q.; Günter, S.; Lackner, K.

2018-05-01

The effect of externally applied resonant magnetic perturbations (RMPs) on the growth of magnetic islands is investigated based on two-fluid equations. It is found that if the local bi-normal electron fluid velocity at the resonant surface is sufficiently large, static RMPs of the same helicity and of moderate amplitude can suppress the growth of magnetic islands in high-temperature plasmas. These islands will otherwise grow, driven by an unfavorable plasma current density profile and bootstrap current perturbation. These results indicate that the error field can stabilize island growth, if the error field amplitude is not too large and the local bi-normal electron fluid velocity is not too low. They also indicate that applied rotating RMPs with an appropriate frequency can be utilized to suppress island growth in high-temperature plasmas, even for a low bi-normal electron fluid velocity. A significant change in the local equilibrium plasma current density gradient by small amplitude RMPs is found for realistic plasma parameters, which are important for the island stability and are expected to be more important for fusion reactors with low plasma resistivity.

Operation of large RF sources for H-: Lessons learned at ELISE

NASA Astrophysics Data System (ADS)

Fantz, U.; Wünderlich, D.; Heinemann, B.; Kraus, W.; Riedl, R.

2017-08-01

The goal of the ELISE test facility is to demonstrate that large RF-driven negative ion sources (1 × 1 m2 source area with 360 kW installed RF power) can achieve the parameters required for the ITER beam sources in terms of current densities and beam homogeneity at a filling pressure of 0.3 Pa for pulse lengths of up to one hour. With the experience in operation of the test facility, the beam source inspection and maintenance as well as with the results of the achieved source performance so far, conclusions are drawn for commissioning and operation of the ITER beam sources. Addressed are critical technical RF issues, extrapolations to the required RF power, Cs consumption and Cs ovens, the need of adjusting the magnetic filter field strength as well as the temporal dynamic and spatial asymmetry of the co-extracted electron current. It is proposed to relax the low pressure limit to 0.4 Pa and to replace the fixed electron-to-ion ratio by a power density limit for the extraction grid. This would be highly beneficial for controlling the co-extracted electrons.

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.

Upper D region chemical kinetic modeling of LORE relaxation times

NASA Astrophysics Data System (ADS)

Gordillo-Vázquez, F. J.; Luque, A.; Haldoupis, C.

2016-04-01

The recovery times of upper D region electron density elevations, caused by lightning-induced electromagnetic pulses (EMP), are modeled. The work was motivated from the need to understand a recently identified narrowband VLF perturbation named LOREs, an acronym for LOng Recovery Early VLF events. LOREs associate with long-living electron density perturbations in the upper D region ionosphere; they are generated by strong EMP radiated from large peak current intensities of ±CG (cloud to ground) lightning discharges, known also to be capable of producing elves. Relaxation model scenarios are considered first for a weak enhancement in electron density and then for a much stronger one caused by an intense lightning EMP acting as an impulsive ionization source. The full nonequilibrium kinetic modeling of the perturbed mesosphere in the 76 to 92 km range during LORE-occurring conditions predicts that the electron density relaxation time is controlled by electron attachment at lower altitudes, whereas above 79 km attachment is balanced totally by associative electron detachment so that electron loss at these higher altitudes is controlled mainly by electron recombination with hydrated positive clusters H+(H2O)n and secondarily by dissociative recombination with NO+ ions, a process which gradually dominates at altitudes >88 km. The calculated recovery times agree fairly well with LORE observations. In addition, a simplified (quasi-analytic) model build for the key charged species and chemical reactions is applied, which arrives at similar results with those of the full kinetic model. Finally, the modeled recovery estimates for lower altitudes, that is <79 km, are in good agreement with the observed short recovery times of typical early VLF events, which are known to be associated with sprites.

Carrier mobility and scattering lifetime in electric double-layer gated few-layer graphene

NASA Astrophysics Data System (ADS)

Piatti, E.; Galasso, S.; Tortello, M.; Nair, J. R.; Gerbaldi, C.; Bruna, M.; Borini, S.; Daghero, D.; Gonnelli, R. S.

2017-02-01

We fabricate electric double-layer field-effect transistor (EDL-FET) devices on mechanically exfoliated few-layer graphene. We exploit the large capacitance of a polymeric electrolyte to study the transport properties of three, four and five-layer samples under a large induced surface charge density both above and below the glass transition temperature of the polymer. We find that the carrier mobility shows a strong asymmetry between the hole and electron doping regime. We then employ ab initio density functional theory (DFT) calculations to determine the average scattering lifetime from the experimental data. We explain its peculiar dependence on the carrier density in terms of the specific properties of the electrolyte we used in our experiments.

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.

Some Fundamental Issues in Ground-State Density Functional Theory: A Guide for the Perplexed.

PubMed

Perdew, John P; Ruzsinszky, Adrienn; Constantin, Lucian A; Sun, Jianwei; Csonka, Gábor I

2009-04-14

Some fundamental issues in ground-state density functional theory are discussed without equations: (1) The standard Hohenberg-Kohn and Kohn-Sham theorems were proven for a Hamiltonian that is not quite exact for real atoms, molecules, and solids. (2) The density functional for the exchange-correlation energy, which must be approximated, arises from the tendency of electrons to avoid one another as they move through the electron density. (3) In the absence of a magnetic field, either spin densities or total electron density can be used, although the former choice is better for approximations. (4) "Spin contamination" of the determinant of Kohn-Sham orbitals for an open-shell system is not wrong but right. (5) Only to the extent that symmetries of the interacting wave function are reflected in the spin densities should those symmetries be respected by the Kohn-Sham noninteracting or determinantal wave function. Functionals below the highest level of approximations should however sometimes break even those symmetries, for good physical reasons. (6) Simple and commonly used semilocal (lower-level) approximations for the exchange-correlation energy as a functional of the density can be accurate for closed systems near equilibrium and yet fail for open systems of fluctuating electron number. (7) The exact Kohn-Sham noninteracting state need not be a single determinant, but common approximations can fail when it is not. (8) Over an open system of fluctuating electron number, connected to another such system by stretched bonds, semilocal approximations make the exchange-correlation energy and hole-density sum rule too negative. (9) The gap in the exact Kohn-Sham band structure of a crystal underestimates the real fundamental gap but may approximate the first exciton energy in the large-gap limit. (10) Density functional theory is not really a mean-field theory, although it looks like one. The exact functional includes strong correlation, and semilocal approximations often overestimate the strength of static correlation through their semilocal exchange contributions. (11) Only under rare conditions can excited states arise directly from a ground-state theory.

Structural and electronic properties of rectangular CdTe nanowire: A DST study

NASA Astrophysics Data System (ADS)

Khan, Md. Shahzad; Bhatia, Manjeet; Srivastava, Anurag

2018-05-01

CdTe rectangular nanowire of different diameter in zinc-blende phase is investigated using density functional theory. Enhancement of diameter increased stability and improved electronic qualities suitable for device purpose applications. Cohesive energy per atom enhanced on enlarging diameter advocating the stability. Large diameter nanowire (22.62Å) exhibits bandgap of 1.21eV and electronic effective mass is observed to be 0.51me. The bonding between Cd-Te atoms are predominantly observed as covalent assuring its inertness towards moisture.

Electron collection theory for a D-region subsonic blunt electrostatic probe

NASA Technical Reports Server (NTRS)

Wai-Kwong Lai, T.

1974-01-01

Blunt probe theory for subsonic flow in a weakly ionized and collisional gas is reviewed, and an electron collection theory for the relatively unexplored case, Deybye length approximately 1, which occurs in the lower ionosphere (D-region), is developed. It is found that the dimensionless Debye length is no longer an electric field screening parameter, and the space charge field effect can be negelected. For ion collection, Hoult-Sonin theory is recognized as a correct description of the thin, ion density-perturbed layer adjacent the blunt probe surface. The large volume with electron density perturbed by a positively biased probe renders the usual thin boundary layer analysis inapplicable. Theories relating free stream conditions to the electron collection rate for both stationary and moving blunt probes are obtained. A model based on experimental nonlinear electron drift velocity data is proposed. For a subsonically moving probe, it is found that the perturbed region can be divided into four regions with distinct collection mechanisms.

Guiding of relativistic electron beams in dense matter by laser-driven magnetostatic fields.

PubMed

Bailly-Grandvaux, M; Santos, J J; Bellei, C; Forestier-Colleoni, P; Fujioka, S; Giuffrida, L; Honrubia, J J; Batani, D; Bouillaud, R; Chevrot, M; Cross, J E; Crowston, R; Dorard, S; Dubois, J-L; Ehret, M; Gregori, G; Hulin, S; Kojima, S; Loyez, E; Marquès, J-R; Morace, A; Nicolaï, Ph; Roth, M; Sakata, S; Schaumann, G; Serres, F; Servel, J; Tikhonchuk, V T; Woolsey, N; Zhang, Z

2018-01-09

Intense lasers interacting with dense targets accelerate relativistic electron beams, which transport part of the laser energy into the target depth. However, the overall laser-to-target energy coupling efficiency is impaired by the large divergence of the electron beam, intrinsic to the laser-plasma interaction. Here we demonstrate that an efficient guiding of MeV electrons with about 30 MA current in solid matter is obtained by imposing a laser-driven longitudinal magnetostatic field of 600 T. In the magnetized conditions the transported energy density and the peak background electron temperature at the 60-μm-thick target's rear surface rise by about a factor of five, as unfolded from benchmarked simulations. Such an improvement of energy-density flux through dense matter paves the ground for advances in laser-driven intense sources of energetic particles and radiation, driving matter to extreme temperatures, reaching states relevant for planetary or stellar science as yet inaccessible at the laboratory scale and achieving high-gain laser-driven thermonuclear fusion.

Estimation of a coronal mass ejection magnetic field strength using radio observations of gyrosynchrotron radiation

NASA Astrophysics Data System (ADS)

Carley, Eoin P.; Vilmer, Nicole; Simões, Paulo J. A.; Ó Fearraigh, Brían

2017-12-01

Coronal mass ejections (CMEs) are large eruptions of plasma and magnetic field from the low solar corona into interplanetary space. These eruptions are often associated with the acceleration of energetic electrons which produce various sources of high intensity plasma emission. In relatively rare cases, the energetic electrons may also produce gyrosynchrotron emission from within the CME itself, allowing for a diagnostic of the CME magnetic field strength. Such a magnetic field diagnostic is important for evaluating the total magnetic energy content of the CME, which is ultimately what drives the eruption. Here, we report on an unusually large source of gyrosynchrotron radiation in the form of a type IV radio burst associated with a CME occurring on 2014-September-01, observed using instrumentation from the Nançay Radio Astronomy Facility. A combination of spectral flux density measurements from the Nançay instruments and the Radio Solar Telescope Network (RSTN) from 300 MHz to 5 GHz reveals a gyrosynchrotron spectrum with a peak flux density at 1 GHz. Using this radio analysis, a model for gyrosynchrotron radiation, a non-thermal electron density diagnostic using the Fermi Gamma Ray Burst Monitor (GBM) and images of the eruption from the GOES Soft X-ray Imager (SXI), we were able to calculate both the magnetic field strength and the properties of the X-ray and radio emitting energetic electrons within the CME. We find the radio emission is produced by non-thermal electrons of energies >1 MeV with a spectral index of δ 3 in a CME magnetic field of 4.4 G at a height of 1.3 R⊙, while the X-ray emission is produced from a similar distribution of electrons but with much lower energies on the order of 10 keV. We conclude by comparing the electron distribution characteristics derived from both X-ray and radio and show how such an analysis can be used to define the plasma and bulk properties of a CME.

A statistical survey of heat input parameters into the cusp thermosphere

NASA Astrophysics Data System (ADS)

Moen, J. I.; Skjaeveland, A.; Carlson, H. C.

2017-12-01

Based on three winters of observational data, we present those ionosphere parameters deemed most critical to realistic space weather ionosphere and thermosphere representation and prediction, in regions impacted by variability in the cusp. The CHAMP spacecraft revealed large variability in cusp thermosphere densities, measuring frequent satellite drag enhancements, up to doublings. The community recognizes a clear need for more realistic representation of plasma flows and electron densities near the cusp. Existing average-value models produce order of magnitude errors in these parameters, resulting in large under estimations of predicted drag. We fill this knowledge gap with statistics-based specification of these key parameters over their range of observed values. The EISCAT Svalbard Radar (ESR) tracks plasma flow Vi , electron density Ne, and electron, ion temperatures Te, Ti , with consecutive 2-3 minute windshield-wipe scans of 1000x500 km areas. This allows mapping the maximum Ti of a large area within or near the cusp with high temporal resolution. In magnetic field-aligned mode the radar can measure high-resolution profiles of these plasma parameters. By deriving statistics for Ne and Ti , we enable derivation of thermosphere heating deposition under background and frictional-drag-dominated magnetic reconnection conditions. We separate our Ne and Ti profiles into quiescent and enhanced states, which are not closely correlated due to the spatial structure of the reconnection foot point. Use of our data-based parameter inputs can make order of magnitude corrections to input data driving thermosphere models, enabling removal of previous two fold drag errors.

Plasma potential and electron temperature evaluated by ball-pen and Langmuir probes in the COMPASS tokamak

NASA Astrophysics Data System (ADS)

Dimitrova, M.; Popov, Tsv K.; Adamek, J.; Kovačič, J.; Ivanova, P.; Hasan, E.; López-Bruna, D.; Seidl, J.; Vondráček, P.; Dejarnac, R.; Stöckel, J.; Imríšek, M.; Panek, R.; the COMPASS Team

2017-12-01

The radial distributions of the main plasma parameters in the scrape-off-layer of the COMPASS tokamak are measured during L-mode and H-mode regimes by using both Langmuir and ball-pen probes mounted on a horizontal reciprocating manipulator. The radial profile of the plasma potential derived previously from Langmuir probes data by using the first derivative probe technique is compared with data derived using ball-pen probes. A good agreement can be seen between the data acquired by the two techniques during the L-mode discharge and during the H-mode regime within the inter-ELM periods. In contrast with the first derivative probe technique, the ball-pen probe technique does not require a swept voltage and, therefore, the temporal resolution is only limited by the data acquisition system. In the electron temperature evaluation, in the far scrape-off layer and in the limiter shadow, where the electron energy distribution is Maxwellian, the results from both techniques match well. In the vicinity of the last closed flux surface, where the electron energy distribution function is bi-Maxwellian, the ball-pen probe technique results are in agreement with the high-temperature components of the electron distribution only. We also discuss the application of relatively large Langmuir probes placed in parallel and perpendicularly to the magnetic field lines to studying the main plasma parameters. The results obtained by the two types of the large probes agree well. They are compared with Thomson scattering data for electron temperatures and densities. The results for the electron densities are compared also with the results from ASTRA code calculation of the electron source due to the ionization of the neutrals by fast electrons and the origin of the bi-Maxwellian electron energy distribution function is briefly discussed.

Low-pressure hydrogen discharge maintenance in a large-size plasma source with localized high radio-frequency power deposition

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

Todorov, D.; Shivarova, A., E-mail: ashiva@phys.uni-sofia.bg; Paunska, Ts.

2015-03-15

The development of the two-dimensional fluid-plasma model of a low-pressure hydrogen discharge, presented in the study, is regarding description of the plasma maintenance in a discharge vessel with the configuration of the SPIDER source. The SPIDER source, planned for the neutral-beam-injection plasma-heating system of ITER, is with localized high RF power deposition to its eight drivers (cylindrical-coil inductive discharges) and a large-area second chamber, common for all the drivers. The continuity equations for the charged particles (electrons and the three types of positive ions) and for the neutral species (atoms and molecules), their momentum equations, the energy balance equations formore » electrons, atoms and molecules and the Poisson equations are involved in the discharge description. In addition to the local processes in the plasma volume, the surface processes of particle reflection and conversion on the walls as well as for a heat exchange with the walls are included in the model. The analysis of the results stresses on the role of the fluxes (particle and energy fluxes) in the formation of the discharge structure. The conclusion is that the discharge behavior is completely obeyed to non-locality. The latter is displayed by: (i) maximum values of plasma parameters (charged particle densities and temperatures of the neutral species) outside the region of the RF power deposition, (ii) shifted maxima of the electron density and temperature, of the plasma potential and of the electron production, (iii) an electron flux, with a vortex structure, strongly exceeding the total ion flux which gives evidence of a discharge regime of non-ambipolarity and (iv) a spatial distribution of the densities of the neutral species resulting from their fluxes.« less

Many-particle-effects in the theory of the extended X-ray absorption fine structure

NASA Astrophysics Data System (ADS)

Tran Thoai, D. B.; Ekardt, W.

1981-10-01

The Lee-Beni-procedure for the calculation of the extended X-ray absorption fine structure (EXAFS) is extended so as to include the effects of the electronic charge density outside the localized muffin-tin potentials. In our scheme EXAFS is caused by back-scattering of an elementary excitation of a homogeneous electron gas by localized energy dependent many-particle muffin-tin potentials. The difference between the two schemes is negligible at large k's, as expected from physical grounds. However, at small and intermediate k-values the difference is quite large. The effect of the outer electrons as compared to the Lee-Beni-model is twofold. First, they renormalize the scattered electron in the usual way. Second, they are missing within the scattering muffin-tins. Hence, we avoid to count some of the electrons twice. Results are presented for Cu as an example.

Investigation of ion and electron heat transport of high- T e ECH heated discharges in the large helical device

DOE PAGES

Pablant, N. A.; Satake, S.; Yokoyama, M.; ...

2016-01-28

An analysis of the radial electric field and heat transport, both for ions and electrons, is presented for a high-more » $${{T}_{\\text{e}}}$$ electron cyclotron heated (ECH) discharge on the large helical device (LHD). Transport analysis is done using the task3d transport suite utilizing experimentally measured profiles for both ions and electrons. Ion temperature and perpendicular flow profiles are measured using the recently installed x-ray imaging crystal spectrometer diagnostic (XICS), while electron temperature and density profiles are measured using Thomson scattering. The analysis also includes calculated ECH power deposition profiles as determined through the travis ray-tracing code. This is the first time on LHD that this type of integrated transport analysis with measured ion temperature profiles has been performed without NBI, allowing the heat transport properties of plasmas with only ECH heating to be more clearly examined. For this study, a plasma discharge is chosen which develops a high central electron temperature ($${{T}_{\\text{eo}}}=9$$ keV) at moderately low densities ($${{n}_{\\text{eo}}}=1.5\\times {{10}^{19}}$$ m-3). The experimentally determined transport properties from task3d are compared to neoclassical predictions as calculated by the gsrake and fortec-3d codes. The predicted electron fluxes are seen to be an order of magnitude less than the measured fluxes, indicating that electron transport is largely anomalous, while the neoclassical and measured ion heat fluxes are of the same magnitude. Neoclassical predictions of a strong positive ambipolar electric field ($${{E}_{\\text{r}}}$$ ) in the plasma core are validated through comparisons to perpendicular flow measurements from the XICS diagnostic. Furthermore, this provides confidence that the predictions are producing physically meaningful results for the particle fluxes and radial electric field, which are a key component in correctly predicting plasma confinement.« less

Theory for the anomalous electron transport in Hall-effect thrusters

NASA Astrophysics Data System (ADS)

Lafleur, Trevor; Baalrud, Scott; Chabert, Pascal

2016-09-01

Using insights from particle-in-cell (PIC) simulations, we develop a kinetic theory to explain the anomalous cross-field electron transport in Hall-effect thrusters (HETs). The large axial electric field in the acceleration region of HETs, together with the radially applied magnetic field, causes electrons to drift in the azimuthal direction with a very high velocity. This drives an electron cyclotron instability that produces large amplitude oscillations in the plasma density and azimuthal electric field, and which is convected downstream due to the large axial ion drift velocity. The frequency and wavelength of the instability are of the order of 5 MHz and 1 mm respectively, while the electric field amplitude can be of a similar magnitude to axial electric field itself. The instability leads to enhanced electron scattering many orders of magnitude higher than that from standard electron-neutral or electron-ion Coulomb collisions, and gives electron mobilities in good agreement with experiment. Since the instability is a strong function of almost all plasma properties, the mobility cannot in general be fitted with simple 1/B or 1/B2 scaling laws, and changes to the secondary electron emission coefficient of the HET channel walls are expected to play a role in the evolution of the instability. This work received financial support from a CNES postdoctoral research award.

Extension of electronic speckle correlation interferometry to large deformations

NASA Astrophysics Data System (ADS)

Sciammarella, Cesar A.; Sciammarella, Federico M.

1998-07-01

The process of fringe formation under simultaneous illumination in two orthogonal directions is analyzed. Procedures to extend the applicability of this technique to large deformation and high density of fringes are introduced. The proposed techniques are applied to a number of technical problems. Good agreement is obtained when the experimental results are compared with results obtained by other methods.

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

McKemmish, Laura K., E-mail: laura.mckemmish@gmail.com; Research School of Chemistry, Australian National University, Canberra

Algorithms for the efficient calculation of two-electron integrals in the newly developed mixed ramp-Gaussian basis sets are presented, alongside a Fortran90 implementation of these algorithms, RAMPITUP. These new basis sets have significant potential to (1) give some speed-up (estimated at up to 20% for large molecules in fully optimised code) to general-purpose Hartree-Fock (HF) and density functional theory quantum chemistry calculations, replacing all-Gaussian basis sets, and (2) give very large speed-ups for calculations of core-dependent properties, such as electron density at the nucleus, NMR parameters, relativistic corrections, and total energies, replacing the current use of Slater basis functions or verymore » large specialised all-Gaussian basis sets for these purposes. This initial implementation already demonstrates roughly 10% speed-ups in HF/R-31G calculations compared to HF/6-31G calculations for large linear molecules, demonstrating the promise of this methodology, particularly for the second application. As well as the reduction in the total primitive number in R-31G compared to 6-31G, this timing advantage can be attributed to the significant reduction in the number of mathematically complex intermediate integrals after modelling each ramp-Gaussian basis-function-pair as a sum of ramps on a single atomic centre.« less

Large-Area Atomic Layers of the Charge-Density-Wave Conductor TiSe2.

PubMed

Wang, Hong; Chen, Yu; Duchamp, Martial; Zeng, Qingsheng; Wang, Xuewen; Tsang, Siu Hon; Li, Hongling; Jing, Lin; Yu, Ting; Teo, Edwin Hang Tong; Liu, Zheng

2018-02-01

Layered transition metal (Ti, Ta, Nb, etc.) dichalcogenides are important prototypes for the study of the collective charge density wave (CDW). Reducing the system dimensionality is expected to lead to novel properties, as exemplified by the discovery of enhanced CDW order in ultrathin TiSe 2 . However, the syntheses of monolayer and large-area 2D CDW conductors can currently only be achieved by molecular beam epitaxy under ultrahigh vacuum. This study reports the growth of monolayer crystals and up to 5 × 10 5 µm 2 large films of the typical 2D CDW conductor-TiSe 2 -by ambient-pressure chemical vapor deposition. Atomic resolution scanning transmission electron microscopy indicates the as-grown samples are highly crystalline 1T-phase TiSe 2 . Variable-temperature Raman spectroscopy shows a CDW phase transition temperature of 212.5 K in few layer TiSe 2 , indicative of high crystal quality. This work not only allows the exploration of many-body state of TiSe 2 in 2D limit but also offers the possibility of utilizing large-area TiSe 2 in ultrathin electronic devices. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Dependence of high density nitrogen-vacancy center ensemble coherence on electron irradiation doses and annealing time

NASA Astrophysics Data System (ADS)

Zhang, C.; Yuan, H.; Zhang, N.; Xu, L. X.; Li, B.; Cheng, G. D.; Wang, Y.; Gui, Q.; Fang, J. C.

2017-12-01

Negatively charged nitrogen-vacancy (NV-) center ensembles in diamond have proved to have great potential for use in highly sensitive, small-package solid-state quantum sensors. One way to improve sensitivity is to produce a high-density NV- center ensemble on a large scale with a long coherence lifetime. In this work, the NV- center ensemble is prepared in type-Ib diamond using high energy electron irradiation and annealing, and the transverse relaxation time of the ensemble—T 2—was systematically investigated as a function of the irradiation electron dose and annealing time. Dynamical decoupling sequences were used to characterize T 2. To overcome the problem of low signal-to-noise ratio in T 2 measurement, a coupled strip lines waveguide was used to synchronously manipulate NV- centers along three directions to improve fluorescence signal contrast. Finally, NV- center ensembles with a high concentration of roughly 1015 mm-3 were manipulated within a ~10 µs coherence time. By applying a multi-coupled strip-lines waveguide to improve the effective volume of the diamond, a sub-femtotesla sensitivity for AC field magnetometry can be achieved. The long-coherence high-density large-scale NV- center ensemble in diamond means that types of room-temperature micro-sized solid-state quantum sensors with ultra-high sensitivity can be further developed in the near future.

Twin density of aragonite in molluscan shells characterized using X-ray diffraction and transmission electron microscopy

NASA Astrophysics Data System (ADS)

Kogure, Toshihiro; Suzuki, Michio; Kim, Hyejin; Mukai, Hiroki; Checa, Antonio G.; Sasaki, Takenori; Nagasawa, Hiromichi

2014-07-01

{110} twin density in aragonites constituting various microstructures of molluscan shells has been characterized using X-ray diffraction (XRD) and transmission electron microscopy (TEM), to find the factors that determine the density in the shells. Several aragonite crystals of geological origin were also investigated for comparison. The twin density is strongly dependent on the microstructures and species of the shells. The nacreous structure has a very low twin density regardless of the shell classes. On the other hand, the twin density in the crossed-lamellar (CL) structure has large variation among classes or subclasses, which is mainly related to the crystallographic direction of the constituting aragonite fibers. TEM observation suggests two types of twin structures in aragonite crystals with dense {110} twins: rather regulated polysynthetic twins with parallel twin planes, and unregulated polycyclic ones with two or three directions for the twin planes. The former is probably characteristic in the CL structures of specific subclasses of Gastropoda. The latter type is probably related to the crystal boundaries dominated by (hk0) interfaces in the microstructures with preferred orientation of the c-axis, and the twin density is mainly correlated to the crystal size in the microstructures.

Seismo-Ionospheric Coupling as Intensified EIA Observed by Satellite Electron Density and GPS-TEC Data

NASA Astrophysics Data System (ADS)

Ryu, K.; Jangsoo, C.; Kim, S. G.; Jeong, K. S.; Parrot, M.; Pulinets, S. A.; Oyama, K. I.

2014-12-01

Examples of intensified EIA features temporally and spatially related to large earthquakes observed by satellites and GPS-TEC are introduced. The precursory, concurrent, and ex-post enhancements of EIA represented by the equatorial electron density, which are thought to be related to the M8.7 Northern Sumatra earthquake of March 2005, the M8.0 Pisco earthquake of August 2007, and the M7.9 Wenchuan Earthquake of 12 May 2008, are shown with space weather condition. Based on the case studies, statistical analysis on the ionospheric electron density data measured by the Detection of Electro-Magnetic Emissions Transmitted from Earthquake Regions satellite (DEMETER) over a period of 2005-2010 was executed 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 EIA intensity indices were performed for each region with excluding the possible effects from the geomagnetic and solar activity. 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 > 7.0 in the low latitude region can accompany observable seismo-ionospheric coupling phenomena in the form of 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 to explain the observation and the possibility of earthquake prediction using the EIA intensity variation are discussed.

Poloidal asymmetries in edge transport barriersa)

NASA Astrophysics Data System (ADS)

Churchill, R. M.; Theiler, C.; Lipschultz, B.; Hutchinson, I. H.; Reinke, M. L.; Whyte, D.; Hughes, J. W.; Catto, P.; Landreman, M.; Ernst, D.; Chang, C. S.; Hager, R.; Hubbard, A.; Ennever, P.; Walk, J. R.

2015-05-01

Measurements of impurities in Alcator C-Mod indicate that in the pedestal region, significant poloidal asymmetries can exist in the impurity density, ion temperature, and main ion density. In light of the observation that ion temperature and electrostatic potential are not constant on a flux surface [Theiler et al., Nucl. Fusion 54, 083017 (2014)], a technique based on total pressure conservation to align profiles measured at separate poloidal locations is presented and applied. Gyrokinetic neoclassical simulations with XGCa support the observed large poloidal variations in ion temperature and density, and that the total pressure is approximately constant on a flux surface. With the updated alignment technique, the observed in-out asymmetry in impurity density is reduced from previous publishing [Churchill et al., Nucl. Fusion 53, 122002 (2013)], but remains substantial ( n z , H / n z , L ˜ 6 ). Candidate asymmetry drivers are explored, showing that neither non-uniform impurity sources nor localized fluctuation-driven transport are able to explain satisfactorily the impurity density asymmetry. Since impurity density asymmetries are only present in plasmas with strong electron density gradients, and radial transport timescales become comparable to parallel transport timescales in the pedestal region, it is suggested that global transport effects relating to the strong electron density gradients in the pedestal are the main driver for the pedestal in-out impurity density asymmetry.

Evolution of CME Mass in the Corona

NASA Astrophysics Data System (ADS)

Howard, Russell A.; Vourlidas, Angelos

2018-04-01

The idea that coronal mass ejections (CMEs) pile up mass in their transport through the corona and heliosphere is widely accepted. However, it has not been shown that this is the case. We perform an initial study of the volume electron density of the fronts of 13 three-part CMEs with well-defined frontal boundaries observed with the Solar and Heliospheric Observatory/ Large Angle and Spectrometric COronagraph (SOHO/LASCO) white-light coronagraphs. We find that, in all cases, the volume electron density decreases as the CMEs travel through the LASCO-C2 and -C3 fields of view, from 2.6 - 30 R_{⊙}. The density decrease follows closely a power law with an exponent of -3, which is consistent with a simple radial expansion. This indicates that in this height regime there is no observed pile-up.

Theory of hydrodynamic transport in fluctuating electronic charge density wave states

NASA Astrophysics Data System (ADS)

Delacrétaz, Luca V.; Goutéraux, Blaise; Hartnoll, Sean A.; Karlsson, Anna

2017-11-01

We describe the collective hydrodynamic motion of an incommensurate charge density wave state in a clean electronic system. Our description simultaneously incorporates the effects of both pinning due to weak disorder and also phase relaxation due to proliferating dislocations. We show that the interplay between these two phenomena has important consequences for charge and momentum transport. For instance, it can lead to metal-insulator transitions. We furthermore identify signatures of fluctuating density waves in frequency and spatially resolved conductivities. Phase disordering is well known to lead to a large viscosity. We derive a precise formula for the phase relaxation rate in terms of the viscosity in the dislocation cores. We thereby determine the viscosity of the superconducting state of BSCCO from the observed melting dynamics of Abrikosov lattices and show that the result is consistent with dissipation into Bogoliubov quasiparticles.

Bite-outs and other depletions of mesospheric electrons

PubMed Central

Friedrich, Martin; Rapp, Markus; Plane, John M.C.; Torkar, Klaus M.

2011-01-01

The ionised mesosphere is less understood than other parts of the ionosphere because of the challenges of making appropriate measurements in this complex region. We use rocket borne in situ measurements of absolute electron density by the Faraday rotation technique and accompanying DC-probe measurements to study the effect of particles on the D-region charge balance. Several examples of electron bite-outs, their actual depth as well as simultaneous observations of positive ions are presented. For a better understanding of the various dependencies we use the ratio β/αi (attachment rate over ion–ion recombination coefficient), derived from the electron and ion density profiles by applying a simplified ion-chemical scheme, and correlate this term with solar zenith angle and moon brightness. The probable causes are different for day and night; recent in situ measurements support existing hypotheses for daytime cases, but also reveal behaviour at night hitherto not reported in the literature. Within the large range of β/αi values obtained from the analysis of 28 high latitude night flights one finds that the intensity of scattered sunlight after sunset, and even moonlight, apparently can photodetach electrons from meteoric smoke particles (MSP) and molecular anions. The large range of values itself can best be explained by the variability of the MSPs and by occasionally occurring atomic oxygen impacting on the negative ion chemistry in the night-time mesosphere under disturbed conditions. PMID:27570472

Synergistic effect of tungsten carbide and palladium on graphene for promoted ethanol electrooxidation.

PubMed

Yang, Jun; Xie, Ying; Wang, Ruihong; Jiang, Baojiang; Tian, Chungui; Mu, Guang; Yin, Jie; Wang, Bo; Fu, Honggang

2013-07-24

The synergistic effect of WC and Pd has large benefit for ethanol electrooxidation. The small-sized Pd nanoparticles (NPs) decorated tungsten carbide on graphene (Pd-WC/GN) will be a promising anode catalyst for the direct ethanol fuel cells. The density functional theory (DFT) calculations reveal that the strong interaction exists at the interface between Pd and WC, which induces the electron transfer from WC to Pd. Fortunately, the nanoscale architecture of Pd-WC/GN has been successfully fabricated in our experiments. X-ray photoelectron spectrum further confirms the existence of electron transfer from WC to Pd in a Pd-WC/GN nanohybrid. Notably, electrochemical tests show that the Pd-WC/GN catalyst exhibits low onset potential, a large electrochemical surface area, high activity, and stability for ethanol electrooxidation in alkaline solution compared with Pd/graphene and Pd/commercial Vulcan 72R carbon catalysts. The enhancement can be attributed to the synergistic effect of Pd and WC on graphene. At the interface between Pd and WC, the electron transfer from WC to Pd leads to the increased electron densities of surface Pd, which is available for weakening adsorption of intermediate oxygen-containing species such as CO and activating catalyst. Meanwhile, the increased tungsten oxide induced by electron transfer can facilitate the effective removal of intermediate species adsorbed on the Pd surface through a bifunctional mechanism or hydrogen spillover effect.

The noon and midnight mid-latitude trough as seen by Ariel 4

NASA Technical Reports Server (NTRS)

Tulunay, Y. K.; Grebowsky, J. M.

1978-01-01

The electron density data returned by the polar orbiting satellites Ariel 3 and Ariel 4 revealed that the midlatitude trough is one of the distinct large-scale features of the ionosphere at about 550 km. Recent work (e.g., Tulunay and Grebowsky, 1975) on the data included the investigation of the temporal development of the latitudinal position of the midlatitude electron density trough at dawn and dusk during the large magnetic storms of May 1967 and May 1972. Model calculations which assumed that the equatorial convection E-field varies in step with the Kp index reproduced on the average the observed behavior. In the present paper, trough observations made at noon and midnight during the period, 12-21 December 1971 which encompassed a relatively large magnetic storm are discussed. In this context, model calculations have been employed as a guide of average approximations of the actual situation in predicting the plasmapause location. It is also shown that the trough observed on the noon passes is not generally plasmapause-related as the nightside troughs are expected to be.

Scalable Sub-micron Patterning of Organic Materials Toward High Density Soft Electronics.

PubMed

Kim, Jaekyun; Kim, Myung-Gil; Kim, Jaehyun; Jo, Sangho; Kang, Jingu; Jo, Jeong-Wan; Lee, Woobin; Hwang, Chahwan; Moon, Juhyuk; Yang, Lin; Kim, Yun-Hi; Noh, Yong-Young; Jaung, Jae Yun; Kim, Yong-Hoon; Park, Sung Kyu

2015-09-28

The success of silicon based high density integrated circuits ignited explosive expansion of microelectronics. Although the inorganic semiconductors have shown superior carrier mobilities for conventional high speed switching devices, the emergence of unconventional applications, such as flexible electronics, highly sensitive photosensors, large area sensor array, and tailored optoelectronics, brought intensive research on next generation electronic materials. The rationally designed multifunctional soft electronic materials, organic and carbon-based semiconductors, are demonstrated with low-cost solution process, exceptional mechanical stability, and on-demand optoelectronic properties. Unfortunately, the industrial implementation of the soft electronic materials has been hindered due to lack of scalable fine-patterning methods. In this report, we demonstrated facile general route for high throughput sub-micron patterning of soft materials, using spatially selective deep-ultraviolet irradiation. For organic and carbon-based materials, the highly energetic photons (e.g. deep-ultraviolet rays) enable direct photo-conversion from conducting/semiconducting to insulating state through molecular dissociation and disordering with spatial resolution down to a sub-μm-scale. The successful demonstration of organic semiconductor circuitry promise our result proliferate industrial adoption of soft materials for next generation electronics.

Scalable Sub-micron Patterning of Organic Materials Toward High Density Soft Electronics

NASA Astrophysics Data System (ADS)

Kim, Jaekyun; Kim, Myung-Gil; Kim, Jaehyun; Jo, Sangho; Kang, Jingu; Jo, Jeong-Wan; Lee, Woobin; Hwang, Chahwan; Moon, Juhyuk; Yang, Lin; Kim, Yun-Hi; Noh, Yong-Young; Yun Jaung, Jae; Kim, Yong-Hoon; Kyu Park, Sung

2015-09-01

The success of silicon based high density integrated circuits ignited explosive expansion of microelectronics. Although the inorganic semiconductors have shown superior carrier mobilities for conventional high speed switching devices, the emergence of unconventional applications, such as flexible electronics, highly sensitive photosensors, large area sensor array, and tailored optoelectronics, brought intensive research on next generation electronic materials. The rationally designed multifunctional soft electronic materials, organic and carbon-based semiconductors, are demonstrated with low-cost solution process, exceptional mechanical stability, and on-demand optoelectronic properties. Unfortunately, the industrial implementation of the soft electronic materials has been hindered due to lack of scalable fine-patterning methods. In this report, we demonstrated facile general route for high throughput sub-micron patterning of soft materials, using spatially selective deep-ultraviolet irradiation. For organic and carbon-based materials, the highly energetic photons (e.g. deep-ultraviolet rays) enable direct photo-conversion from conducting/semiconducting to insulating state through molecular dissociation and disordering with spatial resolution down to a sub-μm-scale. The successful demonstration of organic semiconductor circuitry promise our result proliferate industrial adoption of soft materials for next generation electronics.

Wavelets in electronic structure calculations

NASA Astrophysics Data System (ADS)

Modisette, Jason Perry

1997-09-01

Ab initio calculations of the electronic structure of bulk materials and large clusters are not possible on today's computers using current techniques. The storage and diagonalization of the Hamiltonian matrix are the limiting factors in both memory and execution time. The scaling of both quantities with problem size can be reduced by using approximate diagonalization or direct minimization of the total energy with respect to the density matrix in conjunction with a localized basis. Wavelet basis members are much more localized than conventional bases such as Gaussians or numerical atomic orbitals. This localization leads to sparse matrices of the operators that arise in SCF multi-electron calculations. We have investigated the construction of the one-electron Hamiltonian, and also the effective one- electron Hamiltonians that appear in density-functional and Hartree-Fock theories. We develop efficient methods for the generation of the kinetic energy and potential matrices, the Hartree and exchange potentials, and the local exchange-correlation potential of the LDA. Test calculations are performed on one-electron problems with a variety of potentials in one and three dimensions.

Generation of forerunner electron beam during interaction of ion beam pulse with plasma

DOE PAGES

Hara, Kentaro; Kaganovich, Igor D.; Startsev, Edward A.

2018-01-01

The long-time evolution of the two-stream instability of a cold tenuous ion beam pulse propagating through the background plasma with density much higher than the ion beam density is investigated using a large-scale one-dimensional electrostatic kinetic simulation. The three stages of the instability are investigated in detail. After the initial linear growth and saturation by the electron trapping, a portion of the initially trapped electrons becomes detrapped and moves ahead of the ion beam pulse forming a forerunner electron beam, which causes a secondary two-stream instability that preheats the upstream plasma electrons. Consequently, the self-consistent nonlinear-driven turbulent state is setmore » up at the head of the ion beam pulse with the saturated plasma wave sustained by the influx of the cold electrons from upstream of the beam that lasts until the final stage when the beam ions become trapped by the plasma wave. Finally, the beam ion trapping leads to the nonlinear heating of the beam ions that eventually extinguishes the instability.« less

Generation of forerunner electron beam during interaction of ion beam pulse with plasma

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

Hara, Kentaro; Kaganovich, Igor D.; Startsev, Edward A.

The long-time evolution of the two-stream instability of a cold tenuous ion beam pulse propagating through the background plasma with density much higher than the ion beam density is investigated using a large-scale one-dimensional electrostatic kinetic simulation. The three stages of the instability are investigated in detail. After the initial linear growth and saturation by the electron trapping, a portion of the initially trapped electrons becomes detrapped and moves ahead of the ion beam pulse forming a forerunner electron beam, which causes a secondary two-stream instability that preheats the upstream plasma electrons. Consequently, the self-consistent nonlinear-driven turbulent state is setmore » up at the head of the ion beam pulse with the saturated plasma wave sustained by the influx of the cold electrons from upstream of the beam that lasts until the final stage when the beam ions become trapped by the plasma wave. Finally, the beam ion trapping leads to the nonlinear heating of the beam ions that eventually extinguishes the instability.« less

Nanoscale measurement of Nernst effect in two-dimensional charge density wave material 1T-TaS 2

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

Wu, Stephen M.; Luican-Mayer, Adina; Bhattacharya, Anand

Advances in nanoscale material characterization on two-dimensional van der Waals layered materials primarily involve their optical and electronic properties. The thermal properties of these materials are harder to access due to the difficulty of thermal measurements at the nanoscale. In this work, we create a nanoscale magnetothermal device platform to access the basic out-of-plane magnetothermal transport properties of ultrathin van der Waals materials. Specifically, the Nernst effect in the charge density wave transition metal dichalcogenide 1T-TaS 2 is examined on nano-thin flakes in a patterned device structure. It is revealed that near the commensurate charge density wave (CCDW) to nearlymore » commensurate charge density wave (NCCDW) phase transition, the polarity of the Nernst effect changes. Since the Nernst effect is especially sensitive to changes in the Fermi surface, this suggests that large changes are occurring in the out-of-plane electronic structure of 1T-TaS 2, which are otherwise unresolved in just in-plane electronic transport measurements. This may signal a coherent evolution of out-of-plane stacking in the CCDW! NCCDW transition.« less

Frictional Heating of Ions In The F2-region of The Ionosphere

NASA Astrophysics Data System (ADS)

Zhizhko, G. O.; Vlasov, V. G.

Auroral electron beams unstable on the Cherenkov resonance are stabilized by large- scale inhomogeneity of the plasma density during all their way from the acceleration region to the E-region of the ionosphere. The generation of plasma waves by beam is possible only in the region of small plasma density gradients, that always is the area of the F2-region maximum. Thus, collective dissipation of the electron beam energy occurs in the local region with the length about several tens of kilometers. This leads to the intensive heating of the electrons(up to temperatures about 10000 K) and will give origin to the ion upflows with velocity about 1 km/s and density about 109 cm-2 s-1. These flows can result in the ion frictional heating. At the same time ion temperatures reach the values about 5000 K. A numerical simulation of the ion frictional heating in the presence of collective elec- tron heating in the high-latitude F2-region of the ionosphere was performed. The sim- ulation has shown that the most critical parameter for the occurence of the ion fric- tional heating was the the steepness of the plasma density profile above the F2-region maximum.

The appearance and effects of metallic implants in CT images.

PubMed

Kairn, T; Crowe, S B; Fogg, P; Trapp, J V

2013-06-01

The computed tomography (CT) imaging artefacts that metallic medical implants produce in surrounding tissues are usually contoured and over-ridden during radiotherapy treatment planning. In cases where radiotherapy treatment beams unavoidably pass though implants, it is especially important to understand the imaging artefacts that may occur within the implants themselves. This study examines CT images of a set of simple metallic objects, immersed in water, in order to evaluate reliability and variability of CT numbers (Hounsfield units, HUs) within medical implants. Model implants with a range of sizes (heights from 2.2 to 49.6 mm), electron densities (from 2.3 to 7.7 times the electron density of water) and effective atomic numbers (from 3.9 to 9.0 times the effective atomic number of water in a CT X-ray beam) were created by stacking metal coins from several currencies. These 'implants' were CT scanned within a large (31.0 cm across) and a small (12.8 cm across) water phantom. Resulting HU values are as much as 50 % lower than the result of extrapolating standard electron density calibration data (obtained for tissue and bone densities) up to the metal densities and there is a 6 % difference between the results obtained by scanning with 120 and 140 kVp tube potentials. Profiles through the implants show localised cupping artefacts, within the implants, as well as a gradual decline in HU outside the implants that can cause the implants' sizes to be over estimated by 1.3-9.0 mm. These effects are exacerbated when the implants are scanned in the small phantom or at the side of the large phantom, due to reduced pre-hardening of the X-ray beam in these configurations. These results demonstrate the necessity of over-riding the densities of metallic implants, as well as their artefacts in tissue, in order to obtain accurate radiotherapy dose calculations.

Ion thruster performance model

NASA Technical Reports Server (NTRS)

Brophy, J. R.

1984-01-01

A model of ion thruster performance is developed for high flux density, cusped magnetic field thruster designs. This model is formulated in terms of the average energy required to produce an ion in the discharge chamber plasma and the fraction of these ions that are extracted to form the beam. The direct loss of high energy (primary) electrons from the plasma to the anode is shown to have a major effect on thruster performance. The model provides simple algebraic equations enabling one to calculate the beam ion energy cost, the average discharge chamber plasma ion energy cost, the primary electron density, the primary-to-Maxwellian electron density ratio and the Maxwellian electron temperature. Experiments indicate that the model correctly predicts the variation in plasma ion energy cost for changes in propellant gas (Ar, Kr and Xe), grid transparency to neutral atoms, beam extraction area, discharge voltage, and discharge chamber wall temperature. The model and experiments indicate that thruster performance may be described in terms of only four thruster configuration dependent parameters and two operating parameters. The model also suggests that improved performance should be exhibited by thruster designs which extract a large fraction of the ions produced in the discharge chamber, which have good primary electron and neutral atom containment and which operate at high propellant flow rates.

Fundamental limits on the electron mobility of β-Ga2O3

NASA Astrophysics Data System (ADS)

Kang, Youngho; Krishnaswamy, Karthik; Peelaers, Hartwin; Van de Walle, Chris G.

2017-06-01

We perform first-principles calculations to investigate the electronic and vibrational spectra and the electron mobility of β-Ga2O3. We calculate the electron-phonon scattering rate of the polar optical phonon modes using the Vogl model in conjunction with Fermi’s golden rule; this enables us to fully take the anisotropic phonon spectra of the monoclinic lattice of β-Ga2O3 into account. We also examine the scattering rate due to ionized impurities or defects using a Yukawa-potential-based model. We consider scattering due to donor impurities, as well as the possibility of compensation by acceptors such as Ga vacancies. We then calculate the room-temperature mobility of β-Ga2O3 using the Boltzmann transport equation within the relaxation time approximation, for carrier densities in the range from 1017 to 1020 cm-3. We find that the electron-phonon interaction dominates the mobility for carrier densities of up to 1019 cm-3. We also find that the intrinsic anisotropy in the mobility is small; experimental findings of large anisotropy must therefore be attributed to other factors. We attribute the experimentally observed reduction of the mobility with increasing carrier density to increasing levels of compensation, which significantly affect the mobility.

Fundamental limits on the electron mobility of β-Ga2O3.

PubMed

Kang, Youngho; Krishnaswamy, Karthik; Peelaers, Hartwin; Van de Walle, Chris G

2017-06-14

We perform first-principles calculations to investigate the electronic and vibrational spectra and the electron mobility of β-Ga 2 O 3 . We calculate the electron-phonon scattering rate of the polar optical phonon modes using the Vogl model in conjunction with Fermi's golden rule; this enables us to fully take the anisotropic phonon spectra of the monoclinic lattice of β-Ga 2 O 3 into account. We also examine the scattering rate due to ionized impurities or defects using a Yukawa-potential-based model. We consider scattering due to donor impurities, as well as the possibility of compensation by acceptors such as Ga vacancies. We then calculate the room-temperature mobility of β-Ga 2 O 3 using the Boltzmann transport equation within the relaxation time approximation, for carrier densities in the range from 10 17 to 10 20 cm -3 . We find that the electron-phonon interaction dominates the mobility for carrier densities of up to 10 19 cm -3 . We also find that the intrinsic anisotropy in the mobility is small; experimental findings of large anisotropy must therefore be attributed to other factors. We attribute the experimentally observed reduction of the mobility with increasing carrier density to increasing levels of compensation, which significantly affect the mobility.

Large-scale semidefinite programming for many-electron quantum mechanics.

PubMed

Mazziotti, David A

2011-02-25

The energy of a many-electron quantum system can be approximated by a constrained optimization of the two-electron reduced density matrix (2-RDM) that is solvable in polynomial time by semidefinite programming (SDP). Here we develop a SDP method for computing strongly correlated 2-RDMs that is 10-20 times faster than previous methods [D. A. Mazziotti, Phys. Rev. Lett. 93, 213001 (2004)]. We illustrate with (i) the dissociation of N(2) and (ii) the metal-to-insulator transition of H(50). For H(50) the SDP problem has 9.4×10(6) variables. This advance also expands the feasibility of large-scale applications in quantum information, control, statistics, and economics. © 2011 American Physical Society

Large-Scale Semidefinite Programming for Many-Electron Quantum Mechanics

NASA Astrophysics Data System (ADS)

Mazziotti, David A.

2011-02-01

The energy of a many-electron quantum system can be approximated by a constrained optimization of the two-electron reduced density matrix (2-RDM) that is solvable in polynomial time by semidefinite programming (SDP). Here we develop a SDP method for computing strongly correlated 2-RDMs that is 10-20 times faster than previous methods [D. A. Mazziotti, Phys. Rev. Lett. 93, 213001 (2004)PRLTAO0031-900710.1103/PhysRevLett.93.213001]. We illustrate with (i) the dissociation of N2 and (ii) the metal-to-insulator transition of H50. For H50 the SDP problem has 9.4×106 variables. This advance also expands the feasibility of large-scale applications in quantum information, control, statistics, and economics.

VLF remote sensing of the ambient and modified lower ionosphere

NASA Astrophysics Data System (ADS)

Demirkol, Mehmet Kursad

2000-08-01

Electron density and temperature changes in the D region are sensitively manifested as changes in the amplitude and phase of subionospheric Very Low Frequency (VLF) signals propagating beneath the perturbed region. Both localized and large scale disturbances (either in electron density or temperature) in the D region cause significant scattering of VLF waves propagating in the earth- ionosphere waveguide, leading to measurable changes in the amplitude and phase of the VLF waves. Large scale auroral disturbances, associated with intensification of the auroral electrojet, as well as ionospheric disturbances produced during relativistic electron enhancements, cause characteristic changes over relatively long time scales that allow the assessment of the `ambient' ionosphere. Localized ionospheric disturbances are also produced by powerful VLF transmitting facilities such as the High Power Auroral Stimulation (HIPAS) facility, the High frequency Active Auroral Research Program (HAARP), and also by lightning discharges. Amplitude and phase changes of VLF waveguide signals scattered from such artificially heated ionospheric patches are known to be detectable. In this study, we describe a new inversion algorithm to determine altitude profiles of electron density and collision frequency within such a localized disturbance by using the measured amplitude and phase of three different VLF signals at three separate receiving sites. For this purpose a new optimization algorithm is developed which is primarily based on the recursive usage of the three dimensional version of the Long Wave Propagation, Capability (LWPC) code used to model the subionospheric propagation and scattering of VLF signals in the earth- ionosphere waveguide in the presence of ionospheric disturbances.

Electronic and optical properties of pure and modified diamondoids studied by many-body perturbation theory and time-dependent density functional theory

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

Demján, Tamás; Institute for Solid State Physics and Optics, Wigner Research Center for Physics, Hungarian Academy of Sciences, P.O. Box 49, H-1525 Budapest; Vörös, Márton

2014-08-14

Diamondoids are small diamond nanoparticles (NPs) that are built up from diamond cages. Unlike usual semiconductor NPs, their atomic structure is exactly known, thus they are ideal test-beds for benchmarking quantum chemical calculations. Their usage in spintronics and bioimaging applications requires a detailed knowledge of their electronic structure and optical properties. In this paper, we apply density functional theory (DFT) based methods to understand the electronic and optical properties of a few selected pure and modified diamondoids for which accurate experimental data exist. In particular, we use many-body perturbation theory methods, in the G{sub 0}W{sub 0} and G{sub 0}W{sub 0}+BSEmore » approximations, and time-dependent DFT in the adiabatic local density approximation. We find large quasiparticle gap corrections that can exceed thrice the DFT gap. The electron-hole binding energy can be as large as 4 eV but it is considerably smaller than the GW corrections and thus G{sub 0}W{sub 0}+BSE optical gaps are about 50% larger than the Kohn-Sham (KS) DFT gaps. We find significant differences between KS time-dependent DFT and GW+BSE optical spectra on the selected diamondoids. The calculated G{sub 0}W{sub 0} quasiparticle levels agree well with the corresponding experimental vertical ionization energies. We show that nuclei dynamics in the ionization process can be significant and its contribution may reach about 0.5 eV in the adiabatic ionization energies.« less

Theoretical study of the effect of ionospheric return currents on the electron temperature

NASA Technical Reports Server (NTRS)

Schunk, R. W.; Sojka, J. J.; Bowline, M. D.

1987-01-01

A time-dependent, three-dimensional model of the high-altitude ionosphere is presently used to study the effects of field-aligned ionospheric return currents on auroral electron temperatures for different seasonal and solar cycle conditions, as well as for different upper boundary heat fluxes. The average, large scale, return current densities, which are a few microamps/sq m, are too small to affect auroral electron temperatures. The thermoelectric effect exhibits a pronounced solar cycle and seasonal dependence, and its heat transport corresponds to an upward flow of electron energy which can be either a source or sink of electron energy depending on altitude and geophysical conditions.

Second-principles method for materials simulations including electron and lattice degrees of freedom

NASA Astrophysics Data System (ADS)

García-Fernández, Pablo; Wojdeł, Jacek C.; Íñiguez, Jorge; Junquera, Javier

2016-05-01

We present a first-principles-based (second-principles) scheme that permits large-scale materials simulations including both atomic and electronic degrees of freedom on the same footing. The method is based on a predictive quantum-mechanical theory—e.g., density functional theory—and its accuracy can be systematically improved at a very modest computational cost. Our approach is based on dividing the electron density of the system into a reference part—typically corresponding to the system's neutral, geometry-dependent ground state—and a deformation part—defined as the difference between the actual and reference densities. We then take advantage of the fact that the bulk part of the system's energy depends on the reference density alone; this part can be efficiently and accurately described by a force field, thus avoiding explicit consideration of the electrons. Then, the effects associated to the difference density can be treated perturbatively with good precision by working in a suitably chosen Wannier function basis. Further, the electronic model can be restricted to the bands of interest. All these features combined yield a very flexible and computationally very efficient scheme. Here we present the basic formulation of this approach, as well as a practical strategy to compute model parameters for realistic materials. We illustrate the accuracy and scope of the proposed method with two case studies, namely, the relative stability of various spin arrangements in NiO (featuring complex magnetic interactions in a strongly-correlated oxide) and the formation of a two-dimensional electron gas at the interface between band insulators LaAlO3 and SrTiO3 (featuring subtle electron-lattice couplings and screening effects). We conclude by discussing ways to overcome the limitations of the present approach (most notably, the assumption of a fixed bonding topology), as well as its many envisioned possibilities and future extensions.

Measurement of large parallel and perpendicular electric fields on electron spatial scales in the terrestrial bow shock.

PubMed

Bale, S D; Mozer, F S

2007-05-18

Large parallel (

Sub-Poissonian light and photocurrent shot-noise suppression in closed opto-electronic loop

NASA Technical Reports Server (NTRS)

Masalov, A. V.; Putilin, A. A.; Vasilyev, Michael V.

1994-01-01

We examine experimentally photocurrent noise reduction in the opto-electronic closed loop. Photocurrent noise density 12.5 dB below the shot-noise was observed. So large suppression was not reached in previous experiments and cannot be explained in terms of an ordinary sub-Poissonian light in the loop. We propose the concept of anticorrelation state for the description of light in the loop.

Interchange Instability and Transport in Matter-Antimatter Plasmas

NASA Astrophysics Data System (ADS)

Kendl, Alexander; Danler, Gregor; Wiesenberger, Matthias; Held, Markus

2017-06-01

Symmetric electron-positron plasmas in inhomogeneous magnetic fields are intrinsically subject to interchange instability and transport. Scaling relations for the propagation velocity of density perturbations relevant to transport in isothermal magnetically confined electron-positron plasmas are deduced, including damping effects when Debye lengths are large compared to Larmor radii. The relations are verified by nonlinear full-F gyrofluid computations. Results are analyzed with respect to planned magnetically confined electron-positron plasma experiments. The model is generalized to other matter-antimatter plasmas. Magnetized electron-positron-proton-antiproton plasmas are susceptible to interchange-driven local matter-antimatter separation, which can impede sustained laboratory magnetic confinement.

Interchange Instability and Transport in Matter-Antimatter Plasmas.

PubMed

Kendl, Alexander; Danler, Gregor; Wiesenberger, Matthias; Held, Markus

2017-06-09

Symmetric electron-positron plasmas in inhomogeneous magnetic fields are intrinsically subject to interchange instability and transport. Scaling relations for the propagation velocity of density perturbations relevant to transport in isothermal magnetically confined electron-positron plasmas are deduced, including damping effects when Debye lengths are large compared to Larmor radii. The relations are verified by nonlinear full-F gyrofluid computations. Results are analyzed with respect to planned magnetically confined electron-positron plasma experiments. The model is generalized to other matter-antimatter plasmas. Magnetized electron-positron-proton-antiproton plasmas are susceptible to interchange-driven local matter-antimatter separation, which can impede sustained laboratory magnetic confinement.

ELSI: A unified software interface for Kohn–Sham electronic structure solvers

DOE PAGES

Yu, Victor Wen-zhe; Corsetti, Fabiano; Garcia, Alberto; ...

2017-09-15

Solving the electronic structure from a generalized or standard eigenproblem is often the bottleneck in large scale calculations based on Kohn-Sham density-functional theory. This problem must be addressed by essentially all current electronic structure codes, based on similar matrix expressions, and by high-performance computation. We here present a unified software interface, ELSI, to access different strategies that address the Kohn-Sham eigenvalue problem. Currently supported algorithms include the dense generalized eigensolver library ELPA, the orbital minimization method implemented in libOMM, and the pole expansion and selected inversion (PEXSI) approach with lower computational complexity for semilocal density functionals. The ELSI interface aimsmore » to simplify the implementation and optimal use of the different strategies, by offering (a) a unified software framework designed for the electronic structure solvers in Kohn-Sham density-functional theory; (b) reasonable default parameters for a chosen solver; (c) automatic conversion between input and internal working matrix formats, and in the future (d) recommendation of the optimal solver depending on the specific problem. As a result, comparative benchmarks are shown for system sizes up to 11,520 atoms (172,800 basis functions) on distributed memory supercomputing architectures.« less

ELSI: A unified software interface for Kohn-Sham electronic structure solvers

NASA Astrophysics Data System (ADS)

Yu, Victor Wen-zhe; Corsetti, Fabiano; García, Alberto; Huhn, William P.; Jacquelin, Mathias; Jia, Weile; Lange, Björn; Lin, Lin; Lu, Jianfeng; Mi, Wenhui; Seifitokaldani, Ali; Vázquez-Mayagoitia, Álvaro; Yang, Chao; Yang, Haizhao; Blum, Volker

2018-01-01

Solving the electronic structure from a generalized or standard eigenproblem is often the bottleneck in large scale calculations based on Kohn-Sham density-functional theory. This problem must be addressed by essentially all current electronic structure codes, based on similar matrix expressions, and by high-performance computation. We here present a unified software interface, ELSI, to access different strategies that address the Kohn-Sham eigenvalue problem. Currently supported algorithms include the dense generalized eigensolver library ELPA, the orbital minimization method implemented in libOMM, and the pole expansion and selected inversion (PEXSI) approach with lower computational complexity for semilocal density functionals. The ELSI interface aims to simplify the implementation and optimal use of the different strategies, by offering (a) a unified software framework designed for the electronic structure solvers in Kohn-Sham density-functional theory; (b) reasonable default parameters for a chosen solver; (c) automatic conversion between input and internal working matrix formats, and in the future (d) recommendation of the optimal solver depending on the specific problem. Comparative benchmarks are shown for system sizes up to 11,520 atoms (172,800 basis functions) on distributed memory supercomputing architectures.

Evolution of subband structure with gate-tuning at LaAlO3/SrTiO3 interfaces

NASA Astrophysics Data System (ADS)

Tang, Lucas; Smink, Sander; van Heeringen, Linde; Geessinck, Jaap; Rana, Abimanuya; Rastogi, Ankur; Maan, Jan Kees; Brinkman, Alexander; Zeitler, Uli; Hilgenkamp, Hans; McCollam, Alix

The outstanding characteristic of LaAlO3/SrTiO3 heterostructures is the formation of a high mobility 2D electron gas (2DEG) at the interface. The additional presence of superconductivity, magnetism and large spin-orbit coupling in these systems suggests that strong correlations play an important role in the electronic properties, in contrast to conventional semiconductor-based 2DEGs. Knowledge of the electronic bandstructure, and the interdependence of conduction electron density and properties is therefore essential for our understanding of these materials. We present new results of low temperature transport measurements in a high mobility LaAlO3/SrTiO3-based heterostructure, in magnetic fields up to 33 T. Shubnikov de-Haas oscillations are observed, revealing several subbands with different carrier densities. By application of an electric field in the back gate geometry, the Fermi level is tuned and thus we are able to map the smooth evolution of the subbands and their properties with carrier density. These results are in good agreement with recent theoretical work, such that we can disentangle the complex band structure, and quantify aspects such as Rashba spin-splitting and the mixing of orbital character.

First-principles studies of electron transport in Ga2O3

NASA Astrophysics Data System (ADS)

Kang, Youngho; Krishnaswamy, Karthik; Peelaers, Hartwin; van de Walle, Chris G.

Ga2O3 is a wide-gap semiconductor with a monoclinic crystal structure and a band gap of 4.8 eV. Its high carrier mobility and large band gap have attracted a lot of attention for use in high power electronics and transparent conductors. Despite its potential for adoption in these applications, an understanding of its carrier transport properties is still lacking. In this study we use first-principles calculations to analyze and compute the electron scattering rates in Ga2O3. Scattering due to ionized impurities and polar longitudinal-optical (LO) phonon is taken into account. We find that the electron mobility is nearly isotropic, despite the low-symmetry monoclinic structure of Ga2O3. At low carrier densities ( 1017 cm-3), the mobility is limited by LO phonon scattering. Scattering by ionized impurities becomes increasingly important at higher carrier densities. This type of scattering is enhanced when compensating native point defects are present; in particular, gallium vacancies, which are triply negatively charged, can have a strong effect on mobility. These effects explain the downturn in mobility observed in experiments at high carrier densities. This work was supported by ARO and NSF.

ELSI: A unified software interface for Kohn–Sham electronic structure solvers

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

Yu, Victor Wen-zhe; Corsetti, Fabiano; Garcia, Alberto

Solving the electronic structure from a generalized or standard eigenproblem is often the bottleneck in large scale calculations based on Kohn-Sham density-functional theory. This problem must be addressed by essentially all current electronic structure codes, based on similar matrix expressions, and by high-performance computation. We here present a unified software interface, ELSI, to access different strategies that address the Kohn-Sham eigenvalue problem. Currently supported algorithms include the dense generalized eigensolver library ELPA, the orbital minimization method implemented in libOMM, and the pole expansion and selected inversion (PEXSI) approach with lower computational complexity for semilocal density functionals. The ELSI interface aimsmore » to simplify the implementation and optimal use of the different strategies, by offering (a) a unified software framework designed for the electronic structure solvers in Kohn-Sham density-functional theory; (b) reasonable default parameters for a chosen solver; (c) automatic conversion between input and internal working matrix formats, and in the future (d) recommendation of the optimal solver depending on the specific problem. As a result, comparative benchmarks are shown for system sizes up to 11,520 atoms (172,800 basis functions) on distributed memory supercomputing architectures.« less

Bent paths of a positive streamer and a cathode-directed spark leader in diffuse discharges preionized by runaway electrons

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

Zhang, Cheng; Shao, Tao, E-mail: st@mail.iee.ac.cn; Wang, Ruixue

2015-03-15

Diffuse discharges preionized by runaway electrons can produce large-area homogeneous discharges at elevated pressures, which is an intriguing phenomenon in the physics of pulsed discharges. In this paper, runaway-electron-preionized diffuse discharge (REP DD) was obtained in a wide pressure range (0.05–0.25 MPa), and under certain conditions a positive streamer and a cathode-directed spark leader could be observed to propagate at some angles to the applied (background) electric field lines. For a 16-mm gap at an air pressure of 0.08–0.1 MPa, the percentage of pulses in which such propagation is observed is about 5%–50% of their total number, and in the other pulsesmore » such bent paths could not be observed because there is even no streamer or cathode-directed spark leader in diffuse discharges. In our opinion, such propagation of the positive streamer and the cathode-directed spark leader at some angle to the background electric field lines owes to different increase rates of the electron density in different regions of the discharge volume under REP DD conditions. Therefore, during the formation of a REP DD, the increase of the electron density is inhomogeneous and nonsimultaneous, resulting in an electron density gradient at the ionization wave front.« less

Toward single-chirality carbon nanotube device arrays.

PubMed

Vijayaraghavan, Aravind; Hennrich, Frank; Stürzl, Ninette; Engel, Michael; Ganzhorn, Marc; Oron-Carl, Matti; Marquardt, Christoph W; Dehm, Simone; Lebedkin, Sergei; Kappes, Manfred M; Krupke, Ralph

2010-05-25

The large-scale integration of devices consisting of individual single-walled carbon nanotubes (SWCNT), all of the same chirality, is a critical step toward their electronic, optoelectronic, and electromechanical application. Here, the authors realize two related goals, the first of which is the fabrication of high-density, single-chirality SWCNT device arrays by dielectrophoretic assembly from monodisperse SWCNT solution obtained by polymer-mediated sorting. Such arrays are ideal for correlating measurements using various techniques across multiple identical devices, which is the second goal. The arrays are characterized by voltage-contrast scanning electron microscopy, electron transport, photoluminescence (PL), and Raman spectroscopy and show identical signatures as expected for single-chirality SWCNTs. In the assembled nanotubes, a large D peak in Raman spectra, a large dark-exciton peak in PL spectra as well as lowered conductance and slow switching in electron transport are all shown to be correlated to each other. By comparison to control samples, we conclude that these are the result of scattering from electronic and not structural defects resulting from the polymer wrapping, similar to what has been predicted for DNA wrapping.

On the source location of radiation belt relativistic electrons

NASA Astrophysics Data System (ADS)

Selesnick, R. S.; Blake, J. B.

2000-02-01

Observations from the High Sensitivity Telescope (HIST) on Polar made around Janurary and May 1998 are used to constrain the source location of outer radiation belt relativistic electrons. Phase space densities calculated as a function of the three adiabatic invariants show positive radial gradients for L<4, suggestive of no source in that region. In particular, the peak intensity near L=3 of a large enhancement beginning on May 4, 1998, appears to have been formed by inward transport over a period of several days. For L>4, peaks in the radial dependence of the phase space density are suggestive of a local electron source that may be nonadiabatic acceleration or pitch angle scattering. However, discrepancies in the results obtained with different magnetic field models and at different local times make this a tentative conclusion.

A Pearson Effective Potential for Monte Carlo Simulation of Quantum Confinement Effects in nMOSFETs

NASA Astrophysics Data System (ADS)

Jaud, Marie-Anne; Barraud, Sylvain; Saint-Martin, Jérôme; Bournel, Arnaud; Dollfus, Philippe; Jaouen, Hervé

2008-12-01

A Pearson Effective Potential model for including quantization effects in the simulation of nanoscale nMOSFETs has been developed. This model, based on a realistic description of the function representing the non zero-size of the electron wave packet, has been used in a Monte-Carlo simulator for bulk, single gate SOI and double-gate SOI devices. In the case of SOI capacitors, the electron density has been computed for a large range of effective field (between 0.1 MV/cm and 1 MV/cm) and for various silicon film thicknesses (between 5 nm and 20 nm). A good agreement with the Schroedinger-Poisson results is obtained both on the total inversion charge and on the electron density profiles. The ability of an Effective Potential approach to accurately reproduce electrostatic quantum confinement effects is clearly demonstrated.

Gaussian polarizable-ion tight binding.

PubMed

Boleininger, Max; Guilbert, Anne Ay; Horsfield, Andrew P

2016-10-14

To interpret ultrafast dynamics experiments on large molecules, computer simulation is required due to the complex response to the laser field. We present a method capable of efficiently computing the static electronic response of large systems to external electric fields. This is achieved by extending the density-functional tight binding method to include larger basis sets and by multipole expansion of the charge density into electrostatically interacting Gaussian distributions. Polarizabilities for a range of hydrocarbon molecules are computed for a multipole expansion up to quadrupole order, giving excellent agreement with experimental values, with average errors similar to those from density functional theory, but at a small fraction of the cost. We apply the model in conjunction with the polarizable-point-dipoles model to estimate the internal fields in amorphous poly(3-hexylthiophene-2,5-diyl).

Gaussian polarizable-ion tight binding

NASA Astrophysics Data System (ADS)

Boleininger, Max; Guilbert, Anne AY; Horsfield, Andrew P.

2016-10-01

To interpret ultrafast dynamics experiments on large molecules, computer simulation is required due to the complex response to the laser field. We present a method capable of efficiently computing the static electronic response of large systems to external electric fields. This is achieved by extending the density-functional tight binding method to include larger basis sets and by multipole expansion of the charge density into electrostatically interacting Gaussian distributions. Polarizabilities for a range of hydrocarbon molecules are computed for a multipole expansion up to quadrupole order, giving excellent agreement with experimental values, with average errors similar to those from density functional theory, but at a small fraction of the cost. We apply the model in conjunction with the polarizable-point-dipoles model to estimate the internal fields in amorphous poly(3-hexylthiophene-2,5-diyl).

Bunch Length Measurements Using CTR at the AWA with Comparison to Simulation

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

Neveu, N.; Spentzouris, L.; Halavanau, A.

In this paper we present electron bunch length measurements at the Argonne Wakefield Accelerator (AWA) photoinjector facility. The AWA accelerator has a large dynamic charge density range, with electron beam charge varying between 0.1 nC - 100 nC, and laser spot size diameter at the cathode between 0.1 mm - 18 mm. The bunch length measurements were taken at different charge densities using a metallic screen and a Michelson interferometer to perform autocorrelation scans of the corresponding coherent transition radiation (CTR). A liquid helium-cooled 4K bolometer was used to register the interferometer signal. The experimental results are compared with OPAL-Tmore » numerical simulations.« less

Plasma phenomena observed in the MAP/WINE campaign

NASA Technical Reports Server (NTRS)

Friedrich, M.

1989-01-01

The wealth of plasma data gathered in the MAP/WINE campaign allows insight into the generation of electron densities on a large, and the nature of the ions on a small scale. The associated measurements of winds and charged particles help to understand the morphology of the midlatitude ionization which turns out to correlate poorly with geomagnetic activity, but at least slightly with the prevailing winds. A somewhat clearer connection seems to exist between stratospheric warmings and radio wave absorption minima. On the local scale the interpretation of the rocket measurements of positive ions was helped by simultaneous observations of temperatures and atomic oxygen. The relevance of the description winter anomaly for high latitude electron density profiles are examined.

Insights into neutrino decoupling gleaned from considerations of the role of electron mass

NASA Astrophysics Data System (ADS)

Grohs, E.; Fuller, George M.

2017-10-01

We present calculations showing how electron rest mass influences entropy flow, neutrino decoupling, and Big Bang Nucleosynthesis (BBN) in the early universe. To elucidate this physics and especially the sensitivity of BBN and related epochs to electron mass, we consider a parameter space of rest mass values larger and smaller than the accepted vacuum value. Electromagnetic equilibrium, coupled with the high entropy of the early universe, guarantees that significant numbers of electron-positron pairs are present, and dominate over the number of ionization electrons to temperatures much lower than the vacuum electron rest mass. Scattering between the electrons-positrons and the neutrinos largely controls the flow of entropy from the plasma into the neutrino seas. Moreover, the number density of electron-positron-pair targets can be exponentially sensitive to the effective in-medium electron mass. This entropy flow influences the phasing of scale factor and temperature, the charged current weak-interaction-determined neutron-to-proton ratio, and the spectral distortions in the relic neutrino energy spectra. Our calculations show the sensitivity of the physics of this epoch to three separate effects: finite electron mass, finite-temperature quantum electrodynamic (QED) effects on the plasma equation of state, and Boltzmann neutrino energy transport. The ratio of neutrino to plasma-component energy scales manifests in Cosmic Microwave Background (CMB) observables, namely the baryon density and the radiation energy density, along with the primordial helium and deuterium abundances. Our results demonstrate how the treatment of in-medium electron mass (i.e., QED effects) could translate into an important source of uncertainty in extracting neutrino and beyond-standard-model physics limits from future high-precision CMB data.

The distribution of free electrons in the inner galaxy from pulsar dispersion measures

NASA Technical Reports Server (NTRS)

Harding, D. S.; Harding, A. K.

1981-01-01

The dispersion measures of a sample of 149 pulsars in the inner Galaxy (absolute value of l 50 deg) were statistically analyzed to deduce the large-scale distribution of free thermal electrons in this region. The dispersion measure distribution of these pulsars shows significant evidence for a decrease in the electron scale height from a local value greater than the pulsar scale height to a value less than the pulsar scale height at galactocentric radii inside of approximately 7 kpc. An increase in the electron density (to a value around .15/cu cm at 4 to 5 kpc) must accompany such a decrease in scale height. There is also evidence for a large-scale warp in the electron distribution below the b + 0 deg plane inside the Solar circle. A model is proposed for the electron distribution which incorporates these features and Monte Carlo generated dispersion measure distributions are presented for parameters which best reproduce the observed pulsar distributions.

Elves and associated electron density changes due to cloud-to-ground and in-cloud lightning discharges

NASA Astrophysics Data System (ADS)

Marshall, R. A.; Inan, U. S.; Glukhov, V. S.

2010-04-01

A 3-D finite difference time domain model is used to simulate the lightning electromagnetic pulse (EMP) and its interaction with the lower ionosphere. Results agree with the frequently observed, doughnut-shaped optical signature of elves but show that the structure exhibits asymmetry due to the presence of Earth's ambient magnetic field. Furthermore, in-cloud (horizontal) lightning channels produce observable optical emissions without the doughnut shape and, in fact, produce a much stronger optical output for the same channel current. Electron density perturbations associated with elves are also calculated, with contributions from attachment and ionization. Results presented as a function of parameters such as magnetic field direction, dipole current orientation, altitude and amplitude, and ambient ionospheric density profile demonstrate the highly nonlinear nature of the EMP-ionosphere interaction. Ionospheric effects of a sequence of in-cloud discharges are calculated, simulating a burst of in-cloud lightning activity and resulting in large density changes in the overlying ionosphere.

Single-molecule interfacial electron transfer dynamics in solar energy conversion

NASA Astrophysics Data System (ADS)

Dhital, Bharat

This dissertation work investigated the parameters affecting the interfacial electron transfer (ET) dynamics in dye-semiconductor nanoparticles (NPs) system by using single-molecule fluorescence spectroscopy and imaging combined with electrochemistry. The influence of the molecule-substrate electronic coupling, the molecular structure, binding geometry on the surface and the molecule-attachment surface chemistry on interfacial charge transfer processes was studied on zinc porphyrin-TiO2 NP systems. The fluorescence blinking measurement on TiO2 NP demonstrated that electronic coupling regulates dynamics of charge transfer processes at the interface depending on the conformation of molecule on the surface. Moreover, semiconductor surface charge induced electronic coupling of molecule which is electrostatically adsorbed on the semiconductor surface also predominantly alters the ET dynamics. Furthermore, interfacial electric field and electron accepting state density dependent ET dynamics has been dissected in zinc porphyrin-TiO2 NP system by observing the single-molecule fluorescence blinking dynamics and fluorescence lifetime with and without applied bias. The significant difference in fluorescence fluctuation and lifetime suggested the modulation of charge transfer dynamics at the interface with external electric field perturbation. Quasi-continuous distribution of fluorescence intensity with applied negative potential was attributed to the faster charge recombination due to reduced density of electron accepting states. The driving force and electron accepting state density ET dependent dynamics has also been probed in zinc porphyrin-TiO2 NP and zinc porphyrin-indium tin oxide (ITO) systems. Study of a molecule adsorbed on two different semiconductors (ITO and TiO2), with large difference in electron densities and distinct driving forces, allows us to observe the changes in rates of back electron transfer process reflected by the suppressed fluorescence blinking of molecule on ITO surface. Finally, the electric field effect on the interface properties has been probed by using surface-enhanced Raman spectroscopy and supported by density functional theory calculations in alizarin-TiO2 system. The perturbation, created by the external potential, has been observed to cause a shift and/or splitting interfacial bond vibrational mode, typical indicator of the coupling energy changes between alizarin and TiO2. Such splitting provides evidence for electric field-dependent electronic coupling changes that have a significant impact on the interfacial electron transfer dynamics.

New insights on boundary plasma turbulence and the Quasi-Coherent Mode in Alcator C-Mod using a Mirror Langmuir Probe

NASA Astrophysics Data System (ADS)

Labombard, Brian

2013-10-01

A ``Mirror Langmuir Probe'' (MLP) diagnostic has been used to interrogate edge plasma profiles and turbulence in Alcator C-Mod with unprecedented detail, yielding fundamental insights on the Quasi-Coherent Mode (QCM) - a mode that regulates plasma density and impurities in EDA H-modes without ELMs. The MLP employs a fast-switching, self-adapting bias scheme, recording density, electron temperature and plasma potential simultaneously at high bandwidth (~1 MHz) on each of four separate electrodes on a scanning probe. Temporal dynamics are followed in detail; wavenumber-frequency spectra and phase relationships are readily deduced. Poloidal field fluctuations are recorded separately with a two-coil, scanning probe. Results from ohmic L-mode and H-mode plasmas are reported, including key observations of the QCM: The QCM lives in a region of positive radial electric field, with a mode width (~3 mm) that spans open and closed field line regions. Remarkably large amplitude (~30%), sinusoidal bursts in density, electron temperature and plasma potential fluctuations are observed that are in phase; potential lags density by at most 10 degrees. Propagation velocity of the mode corresponds to the sum of local E × B and electron diamagnetic drift velocities - quantities that are deduced directly from time-averaged profiles. Poloidal magnetic field fluctuations project to parallel current densities of ~5 amps/cm2 in the mode layer, with significant parallel electromagnetic induction. Electron force balance is examined, unambiguously identifying the mode type. It is found that fluctuations in parallel electron pressure gradient are roughly balanced by the sum of electrostatic and electromotive forces. Thus the primary mode structure of the QCM is that of a drift-Alfven wave. Work supported by US DoE award DE-FC02-99ER54512.

Chemistry of sprite discharges through ion-neutral reactions

NASA Astrophysics Data System (ADS)

Hiraki, Y.; Kasai, Y.; Fukunishi, H.

2008-02-01

We estimate the concentration changes, caused by a single streamer in sprites, of ozone and related minor species as odd nitrogen (NOx) and hydrogen (HOx) families in the upper stratosphere and mesosphere. The streamer has an intense electric field and high electron density at its head where a large number of chemically-radical ions and atoms are produced through electron impact on neutral molecules. After propagation of the streamer, the densities of minor species can be perturbed through ion-neutral chemical reactions initiated by the relaxation of these radical products. We evaluate the production rates of ions and atoms using electron kinetics model and assuming the electric field and electron density in the streamer head. We calculate the density variations mainly for NOx, Ox, and HOx species using a one-dimensional model of the neutral and ion composition of the middle atmosphere, including the effect of the sprite streamer. Results at the nighttime condition show that the densities of NO, O3, H, and OH increase suddenly through reactions triggered by firstly produced atomic nitrogen and oxygen, and electrons just after streamer initiation. It is shown that NO and NO2 still remain for 1 h by a certain order of increase with their source-sink balance predominantly around 60 km; for other species, increases in O3, OH, HO2, and H2O2 still remain in the range of 40-70 km. From this affirmative result of long time behavior previously not presented, we emphasize that sprites would have a power to impact on local chemistry at night. We also discuss comparison with previous studies and suggestion for satellite observations.

Chemistry of sprite discharges through ion-neutral reactions

NASA Astrophysics Data System (ADS)

Hiraki, Y.; Kasai, Y.; Fukunishi, H.

2008-07-01

We estimate the concentration changes, caused by streamer discharge in sprites, of ozone and related minor species as odd nitrogen (NOx) and hydrogen (HOx) families in the upper stratosphere and mesosphere. The streamer has an intense electric field and high electron density at its head, where a large number of chemically-radical ions and atoms are produced through electron impact on neutral molecules. After its propagation, densities of minor species can be perturbed through ion-neutral chemical reactions initiated by the relaxation of these radical products. We evaluate the production rates of ions and atoms using an electron kinetics model and by assuming that the electric field and electron density are in the head region. We calculate the density variations mainly for NOx, Ox, and HOx species using a one-dimensional model of the neutral and ion composition of the middle atmosphere, including the effect of the sprite streamer. Results at the nighttime condition show that the densities of NO, O3, H, and OH increase suddenly through reactions triggered by the first atomic nitrogen and oxygen product, and electrons just after streamer initiation. It is shown that NO and NO2 still remain for 1 h by a certain order of increase with their source-sink balance, predominantly around 60 km; for other species, increases in O3, OH, HO2, and H2O2 still remain in the range of 40 70 km. From this affirmative result of long-time behavior previously not presented, we emphasize that sprites would have the power to impact local chemistry at night. We also discuss the consistency with previous theoretical and observational studies, along with future suggestions.

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.

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.

Development and characterization of plasma targets for controlled injection of electrons into laser-driven wakefields

NASA Astrophysics Data System (ADS)

Kleinwaechter, Tobias; Goldberg, Lars; Palmer, Charlotte; Schaper, Lucas; Schwinkendorf, Jan-Patrick; Osterhoff, Jens

2012-10-01

Laser-driven wakefield acceleration within capillary discharge waveguides has been used to generate high-quality electron bunches with GeV-scale energies. However, owing to fluctuations in laser and plasma conditions in combination with a difficult to control self-injection mechanism in the non-linear wakefield regime these bunches are often not reproducible and can feature large energy spreads. Specialized plasma targets with tailored density profiles offer the possibility to overcome these issues by controlling the injection and acceleration processes. This requires precise manipulation of the longitudinal density profile. Therefore our target concept is based on a capillary structure with multiple gas in- and outlets. Potential target designs are simulated using the fluid code OpenFOAM and those meeting the specified criteria are fabricated using femtosecond-laser machining of structures into sapphire plates. Density profiles are measured over a range of inlet pressures utilizing gas-density profilometry via Raman scattering and pressure calibration with longitudinal interferometry. In combination these allow absolute density mapping. Here we report the preliminary results.

Electron counting and a large family of two-dimensional semiconductors

NASA Astrophysics Data System (ADS)

Miao, Maosheng; Botana, Jorge; Zurek, Eva; Liu, Jingyao; Yang, Wen

Two-dimensional semiconductors (2DSC) are currently the focus of many studies, thanks to their novel and superior transport properties that may greatly influence future electronic devices. The potential applications of 2DSCs range from low-dimensional electronics, topological insulators and vallytronics all the way to novel photolysis. However, compared with the conventional semiconductors that are comprised of main group elements and cover a large range of band gaps and lattice constants, the choice of 2D materials is very limited. In this work, we propose and demonstrate a large family of 2DSCs, all adopting the same structure and consisting of only main group elements. Using advanced density functional calculations, we demonstrate the attainability of these materials, and show that they cover a large range of lattice constants, band gaps and band edge states, making them good candidate materials for heterojunctions. This family of two dimensional materials may be instrumental in the fabrication of 2DSC devices that may rival the currently employed 3D semiconductors.

Large-area formation of self-aligned crystalline domains of organic semiconductors on transistor channels using CONNECT

PubMed Central

Park, Steve; Giri, Gaurav; Shaw, Leo; Pitner, Gregory; Ha, Jewook; Koo, Ja Hoon; Gu, Xiaodan; Park, Joonsuk; Lee, Tae Hoon; Nam, Ji Hyun; Hong, Yongtaek; Bao, Zhenan

2015-01-01

The electronic properties of solution-processable small-molecule organic semiconductors (OSCs) have rapidly improved in recent years, rendering them highly promising for various low-cost large-area electronic applications. However, practical applications of organic electronics require patterned and precisely registered OSC films within the transistor channel region with uniform electrical properties over a large area, a task that remains a significant challenge. Here, we present a technique termed “controlled OSC nucleation and extension for circuits” (CONNECT), which uses differential surface energy and solution shearing to simultaneously generate patterned and precisely registered OSC thin films within the channel region and with aligned crystalline domains, resulting in low device-to-device variability. We have fabricated transistor density as high as 840 dpi, with a yield of 99%. We have successfully built various logic gates and a 2-bit half-adder circuit, demonstrating the practical applicability of our technique for large-scale circuit fabrication. PMID:25902502

Analysis of a non-storm time enhancement in outer belt electrons

NASA Astrophysics Data System (ADS)

Schiller, Q.; Li, X.; Godinez, H. C.; Sarris, T. E.; Tu, W.; Malaspina, D.; Turner, D. L.; Blake, J. B.; Koller, J.

2014-12-01

A high-speed solar wind stream impacted Earth's magnetosphere on January 13th, 2013, and is associated with a large enhancement (>2.5 orders) of outer radiation belt electron fluxes despite a small Dst signature (-30 nT). Fortunately, the outer belt was well sampled by a variety of missions during the event, including the Van Allen Probes, THEMIS, and the Colorado Student Space Weather Experiment (CSSWE). In-situ flux and phase space density observations are used from MagEIS (Magnetic Electron Ion Spectrometer) onboard the Van Allen Probes, REPTile (Relativistic Electron and Proton Telescope integrated little experiment) onboard CSSWE, and SST onboard THEMIS. The observations show a rapid increase in 100's keV electron fluxes, followed by a more gradual enhancement of the MeV energies. The 100's keV enhancement is associated with a substorm injection, and the futher energization to MeV energies is associated with wave activity as measured by the Van Allen Probes and THEMIS. Furthermore, the phase space density radial profiles show an acceleration region occurring between 5

Collective backscattering of gyrotron radiation by small-scale plasma density fluctuations in large helical device

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

Kharchev, Nikolay; Batanov, German; Petrov, Alexandr

2008-10-15

A version of the collective backscattering diagnostic using gyrotron radiation for small-scale turbulence is described. The diagnostic is used to measure small-scale (k{sub s}{approx_equal}34 cm{sup -1}) plasma density fluctuations in large helical device experiments on the electron cyclotron heating of plasma with the use of 200 kW 82.7 GHz heating gyrotron. A good signal to noise ratio during plasma production phase was obtained, while contamination of stray light increased during plasma build-up phase. The effect of the stray radiation was investigated. The available quasioptical system of the heating system was utilized for this purpose.

Electronic Structure and Bonding in Transition Metal Inorganic and Organometallic Complexes: New Basis Sets, Linear Semibridging Carbonyls and Thiocarbonyls, and Oxidative Addition of Molecular Hydrogen to Square - Iridium Complexes.

NASA Astrophysics Data System (ADS)

Sargent, Andrew Landman

Approximate molecular orbital and ab initio quantum chemical techniques are used to investigate the electronic structure, bonding and reactivity of several transition metal inorganic and organometallic complexes. Modest-sized basis sets are developed for the second-row transition metal atoms and are designed for use in geometry optimizations of inorganic and organometallic complexes incorporating these atoms. The basis sets produce optimized equilibrium geometries which are slightly better than those produced with standard 3-21G basis sets, and which are significantly better than those produced with effective core potential basis sets. Linear semibridging carbonyl ligands in heterobimetallic complexes which contain a coordinatively unsaturated late transition metal center are found to accept electron density from, rather than donate electron density to, these centers. Only when the secondary metal center is a coordinatively unsaturated early transition metal center does the semibridging ligand donate electron density to this center. Large holes in the d shell around the metal center are more prominent and prevalent in early than in late transition metal centers, and the importance of filling in these holes outweighs the importance of mitigating the charge imbalance due to the dative metal-metal interaction. Semibridging thiocarbonyl ligands are more effective donors of electron density than the carbonyl ligands since the occupied donor orbitals of pi symmetry are higher in energy. The stereoselectivity of H_2 addition to d^8 square-planar transition metal complexes is controlled by the interactions between the ligands in the plane of addition and the concentrations of electronic charge around the metal center as the complex evolves from a four-coordinate to a six-coordinate species. Electron -withdrawing ligands help stabilize the five-coordinate species while strong electron donor ligands contribute only to the destabilizing repulsive interactions. The relative thermodynamic stabilities of the final complexes can be predicted based on the relative orientations of the strongest sigma-donor ligands.

Magnetic-flutter-induced pedestal plasma transport

NASA Astrophysics Data System (ADS)

Callen, J. D.; Hegna, C. C.; Cole, A. J.

2013-11-01

Plasma toroidal rotation can limit reconnection of externally applied resonant magnetic perturbation (RMP) fields δB on rational magnetic flux surfaces. Hence it causes the induced radial perturbations δBρ to be small there, thereby inhibiting magnetic island formation and stochasticity at the top of pedestals in high (H-mode) confinement tokamak plasmas. However, the δBρs induced by RMPs increase away from rational surfaces and are shown to induce significant sinusoidal radial motion (flutter) of magnetic field lines with a radial extent that varies linearly with δBρ and inversely with distance from the rational surface because of the magnetic shear. This produces a radial electron thermal diffusivity that is (1/2)(δBρ/B0)2 times a kinetically derived, electron-collision-induced, magnetic-shear-reduced, effective parallel electron thermal diffusivity in the absence of magnetic stochasticity. These low collisionality flutter-induced transport processes and thin magnetic island effects are shown to be highly peaked in the vicinity of rational surfaces at the top of low collisionality pedestals. However, the smaller but finite level of magnetic-flutter-induced electron heat transport midway between rational surfaces is the primary factor that determines the electron temperature difference between rational surfaces at the pedestal top. The magnetic-flutter-induced non-ambipolar electron density transport can be large enough to push the plasma toward an electron density transport root. Requiring ambipolar density transport is shown to determine the radial electric field, the plasma toroidal rotation (via radial force balance), a reduced electron thermal diffusivity and increased ambipolar density transport in the pedestal. At high collisionality the various flutter effects are less strongly peaked at rational surfaces and generally less significant. They are thus less likely to exhibit flutter-induced resonant behaviour and transition toward an electron transport root. Magnetic-flutter-induced plasma transport processes provide a new paradigm for developing an understanding of how RMPs modify the pedestal structure to stabilize peeling-ballooning modes and thereby suppress edge localized modes in low collisionality tokamak H-mode plasmas.

Modeling of breakdown during the post-arc phase of a vacuum circuit breaker

NASA Astrophysics Data System (ADS)

Sarrailh, P.; Garrigues, L.; Boeuf, J. P.; Hagelaar, G. J. M.

2010-12-01

After a high-current interruption in a vacuum circuit breaker (VCB), the electrode gap is filled with a high density copper vapor plasma in a large copper vapor density (~1022 m-3). The copper vapor density is sustained by electrode evaporation. During the post-arc phase, a rapidly increasing voltage is applied to the gap, and a sheath forms and expands, expelling the plasma from the gap when circuit breaking is successful. There is, however, a risk of breakdown during that phase, leading to the failure of the VCB. Preventing breakdown during the post-arc phase is an important issue for the improvement of VCB reliability. In this paper, we analyze the risk of Townsend breakdown in the high copper vapor density during the post-arc phase using a numerical model that takes into account secondary electron emission, volume ionization, and plasma and neutral transport, for given electrode temperatures. The simulations show that fast neutrals created in the cathode sheath by charge exchange collisions with ions generate a very large secondary electron emission current that can lead to Townsend breakdown. The results also show that the risk of failure of the VCB due to Townsend breakdown strongly depends on the electrode temperatures (which govern the copper vapor density) and becomes important for temperatures greater than 2100 K, which can be reached in vacuum arcs. The simulations also predict that a hotter anode tends to increase the risk of Townsend breakdown.

Defect-driven interfacial electronic structures at an organic/metal-oxide semiconductor heterojunction.

PubMed

Winget, Paul; Schirra, Laura K; Cornil, David; Li, Hong; Coropceanu, Veaceslav; Ndione, Paul F; Sigdel, Ajaya K; Ginley, David S; Berry, Joseph J; Shim, Jaewon; Kim, Hyungchui; Kippelen, Bernard; Brédas, Jean-Luc; Monti, Oliver L A

2014-07-16

The electronic structure of the hybrid interface between ZnO and the prototypical organic semiconductor PTCDI is investigated via a combination of ultraviolet and X-ray photoelectron spectroscopy (UPS/XPS) and density functional theory (DFT) calculations. The interfacial electronic interactions lead to a large interface dipole due to substantial charge transfer from ZnO to 3,4,9,10-perylenetetracarboxylicdiimide (PTCDI), which can be properly described only when accounting for surface defects that confer ZnO its n-type properties. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Effects of Structural Deformation and Tube Chirality on Electronic Conductance of Carbon Nanotubes

NASA Technical Reports Server (NTRS)

Svizhenko, Alexei; Maiti, Amitesh; Anantram, M. P.; Biegel, Bryan A. (Technical Monitor)

2002-01-01

A combination of large scale classical force-field (UFF), density functional theory (DFT), and tight-binding Green's function transport calculations is used to study the electronic properties of carbon nanotubes under the twist, bending, and atomic force microscope (AFM)-tip deformation. We found that in agreement with experiment a significant change in electronic conductance can be induced by AFM-tip deformation of metallic zigzag tubes and by twist deformation of armchair tubes. The effect is explained in terms of bandstructure change under deformation.

Enhancement of DFT-calculations at petascale: Nuclear Magnetic Resonance, Hybrid Density Functional Theory and Car-Parrinello calculations

NASA Astrophysics Data System (ADS)

Varini, Nicola; Ceresoli, Davide; Martin-Samos, Layla; Girotto, Ivan; Cavazzoni, Carlo

2013-08-01

One of the most promising techniques used for studying the electronic properties of materials is based on Density Functional Theory (DFT) approach and its extensions. DFT has been widely applied in traditional solid state physics problems where periodicity and symmetry play a crucial role in reducing the computational workload. With growing compute power capability and the development of improved DFT methods, the range of potential applications is now including other scientific areas such as Chemistry and Biology. However, cross disciplinary combinations of traditional Solid-State Physics, Chemistry and Biology drastically improve the system complexity while reducing the degree of periodicity and symmetry. Large simulation cells containing of hundreds or even thousands of atoms are needed to model these kind of physical systems. The treatment of those systems still remains a computational challenge even with modern supercomputers. In this paper we describe our work to improve the scalability of Quantum ESPRESSO (Giannozzi et al., 2009 [3]) for treating very large cells and huge numbers of electrons. To this end we have introduced an extra level of parallelism, over electronic bands, in three kernels for solving computationally expensive problems: the Sternheimer equation solver (Nuclear Magnetic Resonance, package QE-GIPAW), the Fock operator builder (electronic ground-state, package PWscf) and most of the Car-Parrinello routines (Car-Parrinello dynamics, package CP). Final benchmarks show our success in computing the Nuclear Magnetic Response (NMR) chemical shift of a large biological assembly, the electronic structure of defected amorphous silica with hybrid exchange-correlation functionals and the equilibrium atomic structure of height Porphyrins anchored to a Carbon Nanotube, on many thousands of CPU cores.

Effect of parallel refraction on magnetospheric upper hybrid waves

NASA Technical Reports Server (NTRS)

Engel, J.; Kennel, C. F.

1984-01-01

Large amplitude (not less than 10 mV/m) electrostatic plasma waves near the upper hybrid (UH) frequency have been observed from 0 to 50 deg magnetic latitude (MLAT) during satellite plasma-pause crossings. A three-dimensional numerical ray-tracing calculation, based on an electron distribution measured during a GEOS 1 dayside intense upper-hybrid wave event, suggests how UH waves might achieve such large amplitudes away from the geomagnetic equator. Refractive effects largely control the wave amplification and, in particular, the unavoidable refraction due to parallel geomagnetic field gradients restricts growth to levels below those observed. However, a cold electron density gradient parallel to the field can lead to upper hybrid wave growth that can account for the observed emission levels.

Multicomponent density functional theory embedding formulation.

PubMed

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

2016-07-28

Multicomponent density functional theory (DFT) methods have been developed to treat two types of particles, such as electrons and nuclei, quantum mechanically at the same level. In the nuclear-electronic orbital (NEO) approach, all electrons and select nuclei, typically key protons, are treated quantum mechanically. For multicomponent DFT methods developed within the NEO framework, electron-proton correlation functionals based on explicitly correlated wavefunctions have been designed and used in conjunction with well-established electronic exchange-correlation functionals. Herein a general theory for multicomponent embedded DFT is developed to enable the accurate treatment of larger systems. In the general theory, the total electronic density is separated into two subsystem densities, denoted as regular and special, and different electron-proton correlation functionals are used for these two electronic densities. In the specific implementation, the special electron density is defined in terms of spatially localized Kohn-Sham electronic orbitals, and electron-proton correlation is included only for the special electron density. The electron-proton correlation functional depends on only the special electron density and the proton density, whereas the electronic exchange-correlation functional depends on the total electronic density. This scheme includes the essential electron-proton correlation, which is a relatively local effect, as well as the electronic exchange-correlation for the entire system. This multicomponent DFT-in-DFT embedding theory is applied to the HCN and FHF(-) molecules in conjunction with two different electron-proton correlation functionals and three different electronic exchange-correlation functionals. The results illustrate that this approach provides qualitatively accurate nuclear densities in a computationally tractable manner. The general theory is also easily extended to other types of partitioning schemes for multicomponent systems.

Multicomponent density functional theory embedding formulation

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

Culpitt, Tanner; Brorsen, Kurt R.; Pak, Michael V.

Multicomponent density functional theory (DFT) methods have been developed to treat two types of particles, such as electrons and nuclei, quantum mechanically at the same level. In the nuclear-electronic orbital (NEO) approach, all electrons and select nuclei, typically key protons, are treated quantum mechanically. For multicomponent DFT methods developed within the NEO framework, electron-proton correlation functionals based on explicitly correlated wavefunctions have been designed and used in conjunction with well-established electronic exchange-correlation functionals. Herein a general theory for multicomponent embedded DFT is developed to enable the accurate treatment of larger systems. In the general theory, the total electronic density ismore » separated into two subsystem densities, denoted as regular and special, and different electron-proton correlation functionals are used for these two electronic densities. In the specific implementation, the special electron density is defined in terms of spatially localized Kohn-Sham electronic orbitals, and electron-proton correlation is included only for the special electron density. The electron-proton correlation functional depends on only the special electron density and the proton density, whereas the electronic exchange-correlation functional depends on the total electronic density. This scheme includes the essential electron-proton correlation, which is a relatively local effect, as well as the electronic exchange-correlation for the entire system. This multicomponent DFT-in-DFT embedding theory is applied to the HCN and FHF{sup −} molecules in conjunction with two different electron-proton correlation functionals and three different electronic exchange-correlation functionals. The results illustrate that this approach provides qualitatively accurate nuclear densities in a computationally tractable manner. The general theory is also easily extended to other types of partitioning schemes for multicomponent systems.« less

Normal and abnormal evolution of argon metastable density in high-density plasmas

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

Seo, B. H.; Kim, J. H., E-mail: jhkim86@kriss.re.kr; You, S. J., E-mail: sjyou@cnu.ac.kr

2015-05-15

A controversial problem on the evolution of Ar metastable density as a function of electron density (increasing trend versus decreasing trend) was resolved by discovering the anomalous evolution of the argon metastable density with increasing electron density (discharge power), including both trends of the metastable density [Daltrini et al., Appl. Phys. Lett. 92, 061504 (2008)]. Later, by virtue of an adequate physical explanation based on a simple global model, both evolutions of the metastable density were comprehensively understood as part of the abnormal evolution occurring at low- and high-density regimes, respectively, and thus the physics behind the metastable evolution hasmore » seemed to be clearly disclosed. In this study, however, a remarkable result for the metastable density behavior with increasing electron density was observed: even in the same electron density regime, there are both normal and abnormal evolutions of metastable-state density with electron density depending on the measurement position: The metastable density increases with increasing electron density at a position far from the inductively coupled plasma antenna but decreases at a position close to the antenna. The effect of electron temperature, which is spatially nonuniform in the plasma, on the electron population and depopulation processes of Argon metastable atoms with increasing electron density is a clue to understanding the results. The calculated results of the global model, including multistep ionization for the argon metastable state and measured electron temperature, are in a good agreement with the experimental results.« less

Simple Model of Macroscopic Instability in XeCl Discharge Pumped Lasers

NASA Astrophysics Data System (ADS)

Ahmed, Belasri; Zoheir, Harrache

2003-10-01

The aim of this work is to study the development of the macroscopic non uniformity of the electron density of high pressure discharge for excimer lasers and eventually its propagation because of the medium kinetics phenomena. This study is executed using a transverse mono-dimensional model, in which the plasma is represented by a set of resistance's in parallel. This model was employed using a numerical code including three strongly coupled parts: electric circuit equations, electron Boltzmann equation, and kinetics equations (chemical kinetics model). The time variations of the electron density in each plasma element are obtained by solving a set of ordinary differential equations describing the plasma kinetics and external circuit. The use of the present model allows a good comprehension of the halogen depletion phenomena, which is the principal cause of laser ending and allows a simple study of a large-scale non uniformity in preionization density and its effects on electrical and chemical plasma properties. The obtained results indicate clearly that about 50consumed at the end of the pulse. KEY WORDS Excimer laser, XeCl, Modeling, Cold plasma, Kinetic, Halogen depletion, Macroscopic instability.

Effects of carbon dioxide, Nd:YAG and carbon dioxide-Nd:YAG combination lasers at high energy densities on synthetic hydroxyaptite.

PubMed

Meurman, J H; Voegel, J C; Rauhamaa-Mäkinen, R; Gasser, P; Thomann, J M; Hemmerle, J; Luomanen, M; Paunio, I; Frank, R M

1992-01-01

The aim of this study was to determine the crystalline structure and chemical alterations of synthetic hydroxyapatite after irradiation with either CO2, Nd:YAG or CO2-Nd:YAG combination lasers at high energy densities of 500-3,230 J.cm2. Further, dissolution kinetics of the lased material were analysed and compared with those of unlased apatite. Electron microscopy showed that the lased material consisted of two kinds of crystals. From the micrographs their diameters varied from 600 to 1,200 A and from 3,000 to 6,000 A, respectively. The larger crystals showed 6.9-Angström periodic lattice fringes in the transmission electron microscope. alpha-Tricalcium phosphate (TCP) was identified by X-ray diffraction. Selective-area electron diffraction identified the large crystals to consist of tricalcium phosphate while the smaller crystals were probably hydroxyapatite. Assays of dissolution kinetics showed that at these high energy densities lased material dissolved more rapidly than unlased synthetic hydroxyapatite due to the higher solubility of TCP.

Assessing D-Region Ionospheric Electron Densities with Transionospheric VLF Signals

NASA Astrophysics Data System (ADS)

Worthington, E. R.; Cohen, M.

2016-12-01

Very Low Frequency (VLF, 3-30 kHz) electromagnetic radiation emitted from ground-based sources, such as VLF transmitters or lightning strokes, is generally confined between the Earth's surface and the base of the ionosphere. These boundaries result in waveguide-like propagation modes that travel away from the source, often over great distances. In the vicinity of the source, a unique interference pattern exists that is largely determined by the D-region of the ionosphere which forms the upper boundary. A small portion of this VLF radiation escapes the ionosphere allowing the waveguide interference pattern to be observable to satellites in low-earth orbit (LEO). Techniques for estimating D-region electron densities using VLF satellite measurements are presented. These techniques are then validated using measurements taken by the satellite DEMETER. During its six-year mission, DEMETER completed hundreds of passes above well-characterized VLF transmitters while taking measurements of electric and magnetic field strengths. The waveguide interference pattern described above is clearly visible in these measurements, and features from the interference pattern are used to derive D-region electron density profiles.

Investigation of the electronic structure in La1-xCaxCoO3 (x = 0, 0.5) using full potential calculations

NASA Astrophysics Data System (ADS)

Sahnoun, M.; Daul, C.; Haas, O.; Wokaun, A.

2005-12-01

The electronic and magnetic properties of both LaCoO3 and La0.5Ca0.5CoO3 have been investigated by means of ab initio full-potential augmented plane wave plus local orbitals (APW+lo) calculations carried out with the Wien 2k code. The functional used is the local-density approximation LDA +U. Doping with Ca2+ introduces holes into the Co-O network. We analyse the densities of states and we confirm that the intermediate state (IS) is stabilized by the Ca2+ substitution. This intermediate state in our results turns out to be metallic, and has a large density of states at the Fermi energy. The calculated magnetic moment in La0.5Ca0.5CoO3 is found to be in good agreement with experiment.

Ocean water color assessment from ERTS-1 RBV and MSS imagery

NASA Technical Reports Server (NTRS)

Ross, D. S. (Principal Investigator)

1973-01-01

The author has identified the following significant results. Photo-optical and electronic density slicing were applied to ERTS-1 E 1007-151651-4, 30 July 1972, an area in the Caribbean showing deep ocean water, and shallow areas on the Great Baham Bank ranging from 0.5 meter or less to 18 meters. The density slicing processes were adjusted to correlate water radiance to bathmetric contours shown on C and GS Chart 1112. A number of large areas corresponding to water depths of 2 meters or less, 5 to 10 meters, and 10 to about 20 meters were isolated by both processes. Where clear water and uniformly reflective bottom was found, clear of marine growths, the photo-optical and electronic image density slicing processes proved effective in delineating areas where the depth was in the order of 5 meters, plus or minus 1 meter.

Quantum crystallography: A perspective.

PubMed

Massa, Lou; Matta, Chérif F

2018-06-30

Extraction of the complete quantum mechanics from X-ray scattering data is the ultimate goal of quantum crystallography. This article delivers a perspective for that possibility. It is desirable to have a method for the conversion of X-ray diffraction data into an electron density that reflects the antisymmetry of an N-electron wave function. A formalism for this was developed early on for the determination of a constrained idempotent one-body density matrix. The formalism ensures pure-state N-representability in the single determinant sense. Applications to crystals show that quantum mechanical density matrices of large molecules can be extracted from X-ray scattering data by implementing a fragmentation method termed the kernel energy method (KEM). It is shown how KEM can be used within the context of quantum crystallography to derive quantum mechanical properties of biological molecules (with low data-to-parameters ratio). © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

k-filtering applied to Cluster density measurements in the Solar Wind: Early findings

NASA Astrophysics Data System (ADS)

Jeska, Lauren; Roberts, Owen; Li, Xing

2014-05-01

Studies of solar wind turbulence indicate that a large proportion of the energy is Alfvénic (incompressible) at inertial scales. The properties of the turbulence found in the dissipation range are still under debate ~ while it is widely believed that kinetic Alfvén waves form the dominant component, the constituents of the remaining compressible turbulence are disputed. Using k-filtering, the power can be measured without assuming the validity of Taylor's hypothesis, and its distribution in (ω, k)-space can be determined to assist the identification of weak turbulence components. This technique is applied to Cluster electron density measurements and compared to the power in |B(t)|. As the direct electron density measurements from the WHISPER instrument have a low cadency of only 2.2s, proxy data derived from the spacecraft potential, measured every 0.2s by the EFW instrument, are used to extend this study to ion scales.

4D computerized ionospheric tomography by using GPS measurements and IRI-Plas model

NASA Astrophysics Data System (ADS)

Tuna, Hakan; Arikan, Feza; Arikan, Orhan

2016-07-01

Ionospheric imaging is an important subject in ionospheric studies. GPS based TEC measurements provide very accurate information about the electron density values in the ionosphere. However, since the measurements are generally very sparse and non-uniformly distributed, computation of 3D electron density estimation from measurements alone is an ill-defined problem. Model based 3D electron density estimations provide physically feasible distributions. However, they are not generally compliant with the TEC measurements obtained from GPS receivers. In this study, GPS based TEC measurements and an ionosphere model known as International Reference Ionosphere Extended to Plasmasphere (IRI-Plas) are employed together in order to obtain a physically accurate 3D electron density distribution which is compliant with the real measurements obtained from a GPS satellite - receiver network. Ionospheric parameters input to the IRI-Plas model are perturbed in the region of interest by using parametric perturbation models such that the synthetic TEC measurements calculated from the resultant 3D electron density distribution fit to the real TEC measurements. The problem is considered as an optimization problem where the optimization parameters are the parameters of the parametric perturbation models. Proposed technique is applied over Turkey, on both calm and storm days of the ionosphere. Results show that the proposed technique produces 3D electron density distributions which are compliant with IRI-Plas model, GPS TEC measurements and ionosonde measurements. The effect of the GPS receiver station number on the performance of the proposed technique is investigated. Results showed that 7 GPS receiver stations in a region as large as Turkey is sufficient for both calm and storm days of the ionosphere. Since the ionization levels in the ionosphere are highly correlated in time, the proposed technique is extended to the time domain by applying Kalman based tracking and smoothing approaches onto the obtained results. Combining Kalman methods with the proposed 3D CIT technique creates a robust 4D ionospheric electron density estimation model, and has the advantage of decreasing the computational cost of the proposed method. Results applied on both calm and storm days of the ionosphere show that, new technique produces more robust solutions especially when the number of GPS receiver stations in the region is small. This study is supported by TUBITAK 114E541, 115E915 and Joint TUBITAK 114E092 and AS CR 14/001 projects.

Catastrophic global-avalanche of a hollow pressure filament

NASA Astrophysics Data System (ADS)

van Compernolle, B.; Poulos, M. J.; Morales, G. J.

2017-10-01

New results are presented of a basic heat transport experiment performed in the Large Plasma Device at UCLA. A ring-shaped electron beam source injects low energy electrons along a strong magnetic field into a preexisting, large and cold plasma. The injected electrons are thermalized by Coulomb collisions within a short distance and provide an off-axis heat source that results in a long, hollow, cylindrical region of elevated plasma pressure. The off-axis source is active for a period long compared to the density decay time, i.e., as time progresses the power per particle increases. Two distinct regimes are observed to take place, an early regime dominated by multiple avalanches, identified as a sudden intermittent rearrangement of the pressure profile that repeats under sustained heating, and a second regime dominated by broadband drift-Alfvén fluctuations. The transition between the two regimes is sudden and global, both radially and axially. The initial regime is characterized by peaked density and temperature profiles, while only the peaked temperature profile survives in the second regime. Recent measurements at multiple axial locations provide new insight into the axial dynamics of the global avalanche. Sponsored by NSF Grant 1619505 and by DOE/NSF at BaPSF.

Thomas-Fermi model electron density with correct boundary conditions: Application to atoms and ions

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

Patil, S.H.

1999-01-01

The author proposes an electron density in atoms and ions, which has the Thomas-Fermi-Dirac form in the intermediate region of r, satisfies the Kato condition for small r, and has the correct asymptotic behavior at large values of r, where r is the distance from the nucleus. He also analyzes the perturbation in the density produced by multipolar fields. He uses these densities in the Poisson equation to deduce average values of r{sup m}, multipolar polarizabilities, and dispersion coefficients of atoms and ions. The predictions are in good agreement with experimental and other theoretical values, generally within about 20%. Hemore » tabulates here the coefficient A in the asymptotic density; radial expectation values (r{sup m}) for m = 2, 4, 6; multipolar polarizabilities {alpha}{sub 1}, {alpha}{sub 2}, {alpha}{sub 3}; expectation values {l_angle}r{sup 0}{r_angle} and {l_angle}r{sup 2}{r_angle} of the asymptotic electron density; and the van der Waals coefficient C{sub 6} for atoms and ions with 2 {le} Z {le} 92. Many of the results, particularly the multipolar polarizabilities and the higher order dispersion coefficients, are the only ones available in the literature. The variation of these properties also provides interesting insight into the shell structure of atoms and ions. Overall, the Thomas-Fermi-Dirac model with the correct boundary conditions provides a good global description of atoms and ions.« less

Large-Scale Document Automation: The Systems Integration Issue.

ERIC Educational Resources Information Center

Kalthoff, Robert J.

1985-01-01

Reviews current technologies for electronic imaging and its recording and transmission, including digital recording, optical data disks, automated image-delivery micrographics, high-density-magnetic recording, and new developments in telecommunications and computers. The role of the document automation systems integrator, who will bring these…

Prediction of phonon-mediated superconductivity in hole-doped black phosphorus.

PubMed

Feng, Yanqing; Sun, Hongyi; Sun, Junhui; Lu, Zhibin; You, Yong

2018-01-10

We study the conventional electron-phonon mediated superconducting properties of hole-doped black phosphorus by density functional calculations and get quite a large electron-phonon coupling (EPC) constant λ ~ 1.0 with transition temperature T C ~ 10 K, which is comparable to MgB 2 when holes are doped into the degenerate and nearly flat energy bands around the Fermi level. We predict that the softening of low-frequency [Formula: see text] optical mode and its phonon displacement, which breaks the lattice nonsymmorphic symmetry of gliding plane and lifts the band double degeneracy, lead to a large EPC. These factors are favorable for BCS superconductivity.

Endohedral fullerenes contaning transition-metal clusters

NASA Astrophysics Data System (ADS)

Bhusal, Shusil; Basurto, Luis; Zope, Rajendra; Baruah, Tunna

We report detailed investigation of structural, electronic, and spectroscopic properties of VSc2N-containing fullerenes in the size range C68 - C96. First, the candidate structures of the ground state are obtained using a systematic approach in which a large number of isomers of endohedral fullerenes were screened for their energetic stability. Stability of some of the most promising isomers were further studied using density functional theory at the all-electron level using large polarized Gaussian basis sets. The effect of the V doping is examined on the structure, spin states and the magnetic properties of the endohedral fullerenes. De-SC0002168, NSF-DMR 125302, DE-SC0006818.

Prediction of phonon-mediated superconductivity in hole-doped black phosphorus

NASA Astrophysics Data System (ADS)

Feng, Yanqing; Sun, Hongyi; Sun, Junhui; Lu, Zhibin; You, Yong

2018-01-01

We study the conventional electron-phonon mediated superconducting properties of hole-doped black phosphorus by density functional calculations and get quite a large electron-phonon coupling (EPC) constant λ ~ 1.0 with transition temperature T C ~ 10 K, which is comparable to MgB2 when holes are doped into the degenerate and nearly flat energy bands around the Fermi level. We predict that the softening of low-frequency B3g1 optical mode and its phonon displacement, which breaks the lattice nonsymmorphic symmetry of gliding plane and lifts the band double degeneracy, lead to a large EPC. These factors are favorable for BCS superconductivity.

Determinant quantum Monte Carlo study of the two-dimensional single-band Hubbard-Holstein model

DOE PAGES

Johnston, S.; Nowadnick, E. A.; Kung, Y. F.; ...

2013-06-24

Here, we performed numerical studies of the Hubbard-Holstein model in two dimensions using determinant quantum Monte Carlo (DQMC). We also present details of the method, emphasizing the treatment of the lattice degrees of freedom, and then study the filling and behavior of the fermion sign as a function of model parameters. We find a region of parameter space with large Holstein coupling where the fermion sign recovers despite large values of the Hubbard interaction. This indicates that studies of correlated polarons at finite carrier concentrations are likely accessible to DQMC simulations. We then restrict ourselves to the half-filled model andmore » examine the evolution of the antiferromagnetic structure factor, other metrics for antiferromagnetic and charge-density-wave order, and energetics of the electronic and lattice degrees of freedom as a function of electron-phonon coupling. From this we find further evidence for a competition between charge-density-wave and antiferromagnetic order at half- filling.« less

Detection of F-region electron density irregularities using incoherent-scatter radar

NASA Astrophysics Data System (ADS)

Gudivada, Krishna Prasad

Incoherent-scatter radar data from Poker Flat, Alaska has been used to determine size distributions of electron density structures in the evening time sector of the auroral zone. At high latitudes ionospheric plasma typically moves east-west with speeds of several hundred meters per second. Density irregularities that rapidly move through the radar beam are therefore observed as time-varying power fluctuations. The new phased array radar used for this study has been operated with several antenna directions with successive pulses transmitted in each direction. It is therefore possible to observe plasma Doppler velocities in multiple directions and determine the vector direction of the plasma motion. This near-simultaneous observation of the plasma velocity in conjunction with the electron density height profile data enable a new technique to determine the scale sizes of electron density fluctuations that move horizontally through the radar beam. The study focuses on the collision-less F-region ionosphere where the plasma drift is approximately constant with altitude. The experimental technique limits the range of scale sizes that may be studied to relatively large-scale sizes (i.e. greater than few tens of km). Results show that during magnetically disturbed conditions (Kp ≥ 4) when westward plasma velocities are relatively high (500-1000 m/s) the scale sizes of irregularities (often called plasma blobs) are in the range of 100-300 km and predominantly originate from the polar cap and are transported over long distances (˜1000 km) due to the long chemical recombination times (30-90 minutes). Some irregularities are caused by local auroral particle precipitation and have been identified with associated electron temperature enhancements. For cases of low magnetic activity (Kp ≤ 1), when the radar is located in a region of low plasma velocities (100-500 m/s) well south of the auroral oval (essentially a mid-latitude type ionosphere), the density distribution is always biased strongly toward small-scale sizes (less than 50 km).

Direct observation of in-plane anisotropy of the superconducting critical current density in Ba (Fe1-xCox) 2As2 crystals

NASA Astrophysics Data System (ADS)

Hecher, J.; Ishida, S.; Song, D.; Ogino, H.; Iyo, A.; Eisaki, H.; Nakajima, M.; Kagerbauer, D.; Eisterer, M.

2018-01-01

The phase diagram of iron-based superconductors exhibits structural transitions, electronic nematicity, and magnetic ordering, which are often accompanied by an electronic in-plane anisotropy and a sharp maximum of the superconducting critical current density (Jc) near the phase boundary of the tetragonal and the antiferromagnetic-orthorhombic phase. We utilized scanning Hall-probe microscopy to visualize the Jc of twinned and detwinned Ba (Fe1-xCox) 2As2 (x =5 %-8 % ) crystals to compare the electronic normal state properties with superconducting properties. We find that the electronic in-plane anisotropy continues into the superconducting state. The observed correlation between the electronic and the Jc anisotropy agrees qualitatively with basic models, however, the Jc anisotropy is larger than predicted from the resistivity data. Furthermore, our measurements show that the maximum of Jc at the phase boundary does not vanish when the crystals are detwinned. This shows that twin boundaries are not responsible for the large Jc, suggesting an exotic pinning mechanism.

Time Dependent Density Functional Theory Calculations of Large Compact PAH Cations: Implications for the Diffuse Interstellar Bands

NASA Technical Reports Server (NTRS)

Weisman, Jennifer L.; Lee, Timothy J.; Salama, Farid; Gordon-Head, Martin; Kwak, Dochan (Technical Monitor)

2002-01-01

We investigate the electronic absorption spectra of several maximally pericondensed polycyclic aromatic hydrocarbon radical cations with time dependent density functional theory calculations. We find interesting trends in the vertical excitation energies and oscillator strengths for this series containing pyrene through circumcoronene, the largest species containing more than 50 carbon atoms. We discuss the implications of these new results for the size and structure distribution of the diffuse interstellar band carriers.

Angle-dependent strong-field molecular ionization rates with tuned range-separated time-dependent density functional theory.

PubMed

Sissay, Adonay; Abanador, Paul; Mauger, François; Gaarde, Mette; Schafer, Kenneth J; Lopata, Kenneth

2016-09-07

Strong-field ionization and the resulting electronic dynamics are important for a range of processes such as high harmonic generation, photodamage, charge resonance enhanced ionization, and ionization-triggered charge migration. Modeling ionization dynamics in molecular systems from first-principles can be challenging due to the large spatial extent of the wavefunction which stresses the accuracy of basis sets, and the intense fields which require non-perturbative time-dependent electronic structure methods. In this paper, we develop a time-dependent density functional theory approach which uses a Gaussian-type orbital (GTO) basis set to capture strong-field ionization rates and dynamics in atoms and small molecules. This involves propagating the electronic density matrix in time with a time-dependent laser potential and a spatial non-Hermitian complex absorbing potential which is projected onto an atom-centered basis set to remove ionized charge from the simulation. For the density functional theory (DFT) functional we use a tuned range-separated functional LC-PBE*, which has the correct asymptotic 1/r form of the potential and a reduced delocalization error compared to traditional DFT functionals. Ionization rates are computed for hydrogen, molecular nitrogen, and iodoacetylene under various field frequencies, intensities, and polarizations (angle-dependent ionization), and the results are shown to quantitatively agree with time-dependent Schrödinger equation and strong-field approximation calculations. This tuned DFT with GTO method opens the door to predictive all-electron time-dependent density functional theory simulations of ionization and ionization-triggered dynamics in molecular systems using tuned range-separated hybrid functionals.

Angle-dependent strong-field molecular ionization rates with tuned range-separated time-dependent density functional theory

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

Sissay, Adonay; Abanador, Paul; Mauger, François

2016-09-07

Strong-field ionization and the resulting electronic dynamics are important for a range of processes such as high harmonic generation, photodamage, charge resonance enhanced ionization, and ionization-triggered charge migration. Modeling ionization dynamics in molecular systems from first-principles can be challenging due to the large spatial extent of the wavefunction which stresses the accuracy of basis sets, and the intense fields which require non-perturbative time-dependent electronic structure methods. In this paper, we develop a time-dependent density functional theory approach which uses a Gaussian-type orbital (GTO) basis set to capture strong-field ionization rates and dynamics in atoms and small molecules. This involves propagatingmore » the electronic density matrix in time with a time-dependent laser potential and a spatial non-Hermitian complex absorbing potential which is projected onto an atom-centered basis set to remove ionized charge from the simulation. For the density functional theory (DFT) functional we use a tuned range-separated functional LC-PBE*, which has the correct asymptotic 1/r form of the potential and a reduced delocalization error compared to traditional DFT functionals. Ionization rates are computed for hydrogen, molecular nitrogen, and iodoacetylene under various field frequencies, intensities, and polarizations (angle-dependent ionization), and the results are shown to quantitatively agree with time-dependent Schrödinger equation and strong-field approximation calculations. This tuned DFT with GTO method opens the door to predictive all-electron time-dependent density functional theory simulations of ionization and ionization-triggered dynamics in molecular systems using tuned range-separated hybrid functionals.« less

Symmetric Sodium-Ion Capacitor Based on Na0.44MnO2 Nanorods for Low-Cost and High-Performance Energy Storage.

PubMed

Chen, Zhongxue; Yuan, Tianci; Pu, Xiangjun; Yang, Hanxi; Ai, Xinping; Xia, Yongyao; Cao, Yuliang

2018-04-11

Batteries and electrochemical capacitors play very important roles in the portable electronic devices and electric vehicles and have shown promising potential for large-scale energy storage applications. However, batteries or capacitors alone cannot meet the energy and power density requirements because rechargeable batteries have a poor power property, whereas supercapacitors offer limited capacity. Here, a novel symmetric sodium-ion capacitor (NIC) is developed based on low-cost Na 0.44 MnO 2 nanorods. The Na 0.44 MnO 2 with unique nanoarchitectures and iso-oriented feature offers shortened diffusion path lengths for both electronic and Na + transport and reduces the stress associated with Na + insertion and extraction. Benefiting from these merits, the symmetric device achieves a high power density of 2432.7 W kg -1 , an improved energy density of 27.9 Wh kg -1 , and a capacitance retention of 85.2% over 5000 cycles. Particularly, the symmetric NIC based on Na 0.44 MnO 2 permits repeatedly reverse-polarity characteristics, thus simplifying energy management system and greatly enhancing the safety under abuse condition. This cost-effective, high-safety, and high-performance symmetric NIC can balance the energy and power density between batteries and capacitors and serve as an electric power source for future low-maintenance large-scale energy storage systems.

Multi-cathode unbalanced magnetron sputtering systems

NASA Technical Reports Server (NTRS)

Sproul, William D.

1991-01-01

Ion bombardment of a growing film during deposition is necessary in many instances to ensure a fully dense coating, particularly for hard coatings. Until the recent advent of unbalanced magnetron (UBM) cathodes, reactive sputtering had not been able to achieve the same degree of ion bombardment as other physical vapor deposition processes. The amount of ion bombardment of the substrate depends on the plasma density at the substrate, and in a UBM system the amount of bombardment will depend on the degree of unbalance of the cathode. In multi-cathode systems, the magnetic fields between the cathodes must be linked to confine the fast electrons that collide with the gas atoms. Any break in this linkage results in electrons being lost and a low plasma density. Modeling of the magnetic fields in a UBM cathode using a finite element analysis program has provided great insight into the interaction between the magnetic fields in multi-cathode systems. Large multi-cathode systems will require very strong magnets or many cathodes in order to maintain the magnetic field strength needed to achieve a high plasma density. Electromagnets offer the possibility of independent control of the plasma density. Such a system would be a large-scale version of an ion beam enhanced deposition (IBED) system, but, for the UBM system where the plasma would completely surround the substrate, the acronym IBED might now stand for Ion Blanket Enhanced Deposition.

Large dielectric constant, high acceptor density, and deep electron traps in perovskite solar cell material CsGeI 3

DOE PAGES

Ming, Wenmei; Shi, Hongliang; Du, Mao-Hua

2016-01-01

Here we report that many metal halides that contain cations with the ns 2 electronic configuration have recently been discovered as high-performance optoelectronic materials. In particular, solar cells based on lead halide perovskites have shown great promise as evidenced by the rapid increase of the power conversion efficiency. In this paper, we show density functional theory calculations of electronic structure and dielectric and defect properties of CsGeI 3 (a lead-free halide perovskite material). The potential of CsGeI 3 as a solar cell material is assessed based on its intrinsic properties. We find anomalously large Born effective charges and a largemore » static dielectric constant dominated by lattice polarization, which should reduce carrier scattering, trapping, and recombination by screening charged defects and impurities. Defect calculations show that CsGeI 3 is a p-type semiconductor and its hole density can be modified by varying the chemical potentials of the constituent elements. Despite the reduction of long-range Coulomb attraction by strong screening, the iodine vacancy in CsGeI3 is found to be a deep electron trap due to the short-range potential, i.e., strong Ge–Ge covalent bonding, which should limit electron transport efficiency in p-type CsGeI 3. This is in contrast to the shallow iodine vacancies found in several Pb and Sn halide perovskites (e.g., CH 3NH 3PbI 3, CH 3NH 3SnI 3, and CsSnI 3). The low-hole-density CsGeI 3 may be a useful solar absorber material but the presence of the low-energy deep iodine vacancy may significantly reduce the open circuit voltage of the solar cell. Still, on the other hand, CsGeI 3 may be used as an efficient hole transport material in solar cells due to its small hole effective mass, the absence of low-energy deep hole traps, and the favorable band offset with solar absorber materials such as dye molecules and CH 3NH 3PbI 3.« less

Gas-Grain Models for Interstellar Anion Chemistry

NASA Technical Reports Server (NTRS)

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

2012-01-01

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

Accurate density functional prediction of molecular electron affinity with the scaling corrected Kohn–Sham frontier orbital energies

NASA Astrophysics Data System (ADS)

Zhang, DaDi; Yang, Xiaolong; Zheng, Xiao; Yang, Weitao

2018-04-01

Electron affinity (EA) is the energy released when an additional electron is attached to an atom or a molecule. EA is a fundamental thermochemical property, and it is closely pertinent to other important properties such as electronegativity and hardness. However, accurate prediction of EA is difficult with density functional theory methods. The somewhat large error of the calculated EAs originates mainly from the intrinsic delocalisation error associated with the approximate exchange-correlation functional. In this work, we employ a previously developed non-empirical global scaling correction approach, which explicitly imposes the Perdew-Parr-Levy-Balduz condition to the approximate functional, and achieve a substantially improved accuracy for the calculated EAs. In our approach, the EA is given by the scaling corrected Kohn-Sham lowest unoccupied molecular orbital energy of the neutral molecule, without the need to carry out the self-consistent-field calculation for the anion.

Electronic and optical properties of Praseodymium trifluoride

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

Saini, Sapan Mohan, E-mail: smsaini.phy@nitrr.ac.in

2014-10-24

We report the role of f- states on electronic and optical properties of Praseodymium trifluoride (PrF{sub 3}) compound. Full potential linearized augmented plane wave (FPLAPW) method with the inclusion of spin orbit coupling has been used. We employed the local spin density approximation (LSDA) and Coulomb-corrected local spin density approximation (LSDA+U). LSDA+U is known for treating the highly correlated 4f electrons properly. Our theoretical investigation shows that LSDA+U approximation reproduce the correct insulating ground state of PrF{sub 3}. On the other hand there is no significant difference of reflectivity calculated by LSDA and LSDA+U. We find that the reflectivity formore » PrF{sub 3} compound stays low till around 7 eV which is consistent with their large energy gaps. Our calculated reflectivity compares well with the experimental data. The results are analyzed in the light of transitions involved.« less

Numerical simulation of offset-drain amorphous oxide-based thin-film transistors

NASA Astrophysics Data System (ADS)

Jeong, Jaewook

2016-11-01

In this study, we analyzed the electrical characteristics of amorphous indium-gallium-zinc-oxide (a-IGZO) thin-film transistors (TFTs) with an offset-drain structure by technology computer aided design (TCAD) simulation. When operating in a linear region, an enhancement-type TFT shows poor field-effect mobility because most conduction electrons are trapped in acceptor-like defects in an offset region when the offset length (L off) exceeds 0.5 µm, whereas a depletion-type TFT shows superior field-effect mobility owing to the high free electron density in the offset region compared with the trapped electron density. When operating in the saturation region, both types of TFTs show good field-effect mobility comparable to that of a reference TFT with a large gate overlap. The underlying physics of the depletion and enhancement types of offset-drain TFTs are systematically analyzed.

High electronegativity multi-dipolar electron cyclotron resonance plasma source for etching by negative ions

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

Stamate, E.; Draghici, M.

2012-04-15

A large area plasma source based on 12 multi-dipolar ECR plasma cells arranged in a 3 x 4 matrix configuration was built and optimized for silicon etching by negative ions. The density ratio of negative ions to electrons has exceeded 300 in Ar/SF{sub 6} gas mixture when a magnetic filter was used to reduce the electron temperature to about 1.2 eV. Mass spectrometry and electrostatic probe were used for plasma diagnostics. The new source is free of density jumps and instabilities and shows a very good stability for plasma potential, and the dominant negative ion species is F{sup -}. Themore » magnetic field in plasma volume is negligible and there is no contamination by filaments. The etching rate by negative ions measured in Ar/SF{sub 6}/O{sub 2} mixtures was almost similar with that by positive ions reaching 700 nm/min.« less

Ionospheric E-Region Response to Solar-Geomagnetic Storms Observed by TIMED/SABER and Application to IRI Storm-Model Development

NASA Technical Reports Server (NTRS)

Mertens, Christopher J.; Mast, Jeffrey C.; Winick, Jeremy R.; Russell, James M., III; Mlynczak, Martin G.; Evans, David S.

2007-01-01

The large thermospheric infrared radiance enhancements observed from the TIMED/SABER experiment during recent solar storms provide an exciting opportunity to study the influence of solar-geomagnetic disturbances on the upper atmosphere and ionosphere. In particular, nighttime enhancements of 4.3 um emission, due to vibrational excitation and radiative emission by NO+, provide an excellent proxy to study and analyze the response of the ionospheric E-region to auroral electron dosing and storm-time enhancements to the E-region electron density. In this paper we give a status report of on-going work on model and data analysis methodologies of deriving NO+ 4.3 um volume emission rates, a proxy for the storm-time E-region response, and the approach for deriving an empirical storm-time correction to International Reference Ionosphere (IRI) E-region NO+ and electron densities.

Plasma processes in inert gas thrusters

NASA Technical Reports Server (NTRS)

Kaufman, H. R.; Robinson, R. S.

1979-01-01

Inert gas thrusters, particularly with large diameters, have continued to be of interest for space propulsion applications. Two plasma processes are treated in this study: electron diffusion across magnetic fields and double ion production in inert-gas thrusters. A model is developed to describe electron diffusion across a magnetic field that is driven by both density and potential gradients, with Bohm diffusion used to predict the diffusion rate. This model has applications to conduction across magnetic fields inside a discharge chamber, as well as through a magnetic baffle region used to isolate a hollow cathode from the main chamber. A theory for double ion production is presented, which is not as complete as the electron diffusion theory described, but it should be a useful tool for predicting double ion sputter erosion. Correlations are developed that may be used, without experimental data, to predict double ion densities for the design of new and especially larger ion thrusters.

Climatology of the relationship of cusp-related density anomaly with zonal wind and large-scale FAC based on CHAMP observations: IMF By and solar cycle dependence

NASA Astrophysics Data System (ADS)

Kervalishvili, Guram; Lühr, Hermann

2014-05-01

We present climatology of the relationship of cusp-related density enhancement with the neutral zonal wind velocity, large-scale field-aligned current (FAC), small-scale FAC, and electron temperature using the superposed epoch analysis (SEA) method. The dependence of these variables on the interplanetary magnetic field (IMF) By component orientation and solar cycle are of particular interest. In addition, the obtained results of relative density enhancement (ρrel), zonal wind, electron temperature and FAC are subdivided into three local seasons of 130 days each: local winter (1 January ±65 days), combined equinoxes (1 April ±32 days and 1 October ±32 days), and local summer (1 July ±65 days). Our investigation is based on CHAMP satellite observations and NASA/GSFC's OMNI online data set for solar maximum (Mar/2002-2007) and minimum (Mar/2004-2009) conditions in the Northern Hemisphere. The SEA technique uses the time and location of the thermospheric mass density anomaly peaks as reference parameters. The relative amplitude of cusp-related density enhancement does on average not depend on the IMF By orientation, solar cycle phase, and local season. Also, it is apparent that the IMF By amplitude does not have a big influence on the relative amplitude of the density anomaly. Conversely, there exists a good correlation between ρrel and the negative amplitude of IMF Bz prevailing about half an hour earlier. In the cusp region, both large-scale FAC distribution and thermospheric zonal wind velocity exhibit a clear dependence on the IMF By orientation. In the case of positive (negative) IMF By there is a systematic imbalance between downward (upward) and upward (downward) FACs peaks equatorward and poleward of the reference point, respectively. The zonal wind velocity is directed towards west i.e. towards dawn in a geomagnetic latitude-magnetic local time (MLat-MLT) frame. This is true for all local seasons and solar conditions. The thermospheric density enhancements appear half way between Region 1 (R1) and Region 0 (R0) field-aligned currents, in closer proximity to the upward FAC region. In our case R0 currents are systematically weaker than R1 ones. Also, around the cusp region we find no sign of Region 2 field-aligned currents. We can conclude that there is a close spatial relationship between FACs and cusp-related density enhancements, but we cannot offer any simple functional relation between field-aligned current strength and density anomaly amplitude. There seem to be other quantities (e.g. precipitating electrons) controlling this relation. All the conclusions drawn above are true for the Northern Hemisphere. There may be differences in the Southern Hemisphere.

Influence of excited state spatial distributions on plasma diagnostics: Atmospheric pressure laser-induced He-H2 plasma

NASA Astrophysics Data System (ADS)

Monfared, Shabnam K.; Hüwel, Lutz

2012-10-01

Atmospheric pressure plasmas in helium-hydrogen mixtures with H2 molar concentrations ranging from 0.13% to 19.7% were investigated at times from 1 to 25 μs after formation by a Q-switched Nd:YAG laser. Spatially integrated electron density values are obtained using time resolved optical emission spectroscopic techniques. Depending on mixture concentration and delay time, electron densities vary from almost 1017 cm-3 to about 1014 cm-3. Helium based results agree reasonably well with each other, as do values extracted from the Hα and Hβ emission lines. However, in particular for delays up to about 7 μs and in mixtures with less than 1% hydrogen, large discrepancies are observed between results obtained from the two species. Differences decrease with increasing hydrogen partial pressure and/or increasing delay time. In mixtures with molecular hydrogen fraction of 7% or more, all methods yield electron densities that are in good agreement. These findings seemingly contradict the well-established idea that addition of small amounts of hydrogen for diagnostic purposes does not perturb the plasma. Using Abel inversion analysis of the experimental data and a semi-empirical numerical model, we demonstrate that the major part of the detected discrepancies can be traced to differences in the spatial distributions of excited helium and hydrogen neutrals. The model yields spatially resolved emission intensities and electron density profiles that are in qualitative agreement with experiment. For the test case of a 1% H2 mixture at 5 μs delay, our model suggests that high electron temperatures cause an elevated degree of ionization and thus a reduction of excited hydrogen concentration relative to that of helium near the plasma center. As a result, spatially integrated analysis of hydrogen emission lines leads to oversampling of the plasma perimeter and thus to lower electron density values compared to those obtained from helium lines.

Conditions for Aeronomic Applicability of the Classical Electron Heat Conduction Formula

NASA Technical Reports Server (NTRS)

Cole, K. D.; Hoegy, W. R.

1998-01-01

Conditions for the applicability of the classical formula for heat conduction in the electrons in ionized gas are investigated. In a fully ionised gas ( V(sub en) much greater than V(sub ei)), when the mean free path for electron-electron (or electron-ion) collisions is much larger than the characteristic thermal scale length of the observed system, the conditions for applicability break down. In the case of the Venus ionosphere this breakdown is indicated for a large fraction of the electron temperature data from altitudes greater than 180 km, for electron densities less than 10(exp 4)/cc cm. In a partially ionised gas such that V(sub en) much greater than V(sub ei) there is breakdown of the formula not only when the mean free path of electrons greatly exceeds the thermal scale length, but also when the gradient of neutral particle density exceeds the electron thermal gradient. It is shown that electron heat conduction may be neglected in estimating the temperature of joule heated electrons by observed strong 100 Hz electric fields when the conduction flux is limited by the saturation flux. The results of this paper support our earlier aeronomical arguments against the hypothesis of planetary scale whistlers for the 100 Hz electric field signal. In turn this means that data from the 100 Hz signal may not be used to support the case for lightning on Venus.

Conformational control of cofactors in nature: The effect of methoxy group orientation on the electronic structure of ubisemiquinone

NASA Astrophysics Data System (ADS)

De Almeida, Wagner B.; O'Malley, Patrick J.

2018-03-01

Ubiquinone is the key electron and proton transfer agent in biology. Its mechanism involves the formation of its intermediate one-electron reduced form, the ubisemiquinone radical. This is formed in a protein-bound form which permits the semiquinone to vary its electronic and redox properties. This can be achieved by hydrogen bonding acceptance by one or both oxygen atoms or as we now propose by restricted orientations for the methoxy groups of the headgroup. We show how the orientation of the two methoxy groups of the quinone headgroup affects the electronic structure of the semiquinone form and demonstrate a large dependence of the ubisemiquinone spin density distribution on the orientation each methoxy group takes with respect to the headgroup ring plane. This is shown to significantly modify associated hyperfine couplings which in turn needs to be accounted for in interpreting experimental values in vivo. The study uncovers the key potential role the methoxy group orientation can play in controlling the electronic structure and spin density of ubisemiquinone and provides an electronic-level insight into the variation in electron affinity and redox potential of ubiquinone as a function of the methoxy orientation. Taken together with the already known influence of cofactor conformation on heme and chlorophyll electronic structure, it reveals a more widespread role for cofactor conformational control of electronic structure and associated electron transfer in biology.

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.

Open-Circuit Voltage Losses in Selenium-Substituted Organic Photovoltaic Devices from Increased Density of Charge-Transfer States

DOE PAGES

Sulas, Dana B.; Yao, Kai; Intemann, Jeremy J.; ...

2015-09-12

Using an analysis based on Marcus theory, we characterize losses in open-circuit voltage (V OC) due to changes in charge-transfer state energy, electronic coupling, and spatial density of charge-transfer states in a series of polymer/fullerene solar cells. Here, we use a series of indacenodithiophene polymers and their selenium-substituted analogs as electron donor materials and fullerenes as the acceptors. By combining device measurements and spectroscopic studies (including subgap photocurrent, electroluminescence, and, importantly, time-resolved photoluminescence of the charge-transfer state) we are able to isolate the values for electronic coupling and the density of charge-transfer states (NCT), rather than the more commonly measuredmore » product of these values. We find values for NCT that are surprisingly large (~4.5 × 10 21–6.2 × 10 22 cm -3), and we find that a significant increase in N CT upon selenium substitution in donor polymers correlates with lower VOC for bulk heterojunction photovoltaic devices. The increase in N CT upon selenium substitution is also consistent with nanoscale morphological characterization. Using transmission electron microscopy, selected area electron diffraction, and grazing incidence wide-angle X-ray scattering, we find evidence of more intermixed polymer and fullerene domains in the selenophene blends, which have higher densities of polymer/fullerene interfacial charge-transfer states. Our results provide an important step toward understanding the spatial nature of charge-transfer states and their effect on the open-circuit voltage of polymer/fullerene solar cells« less

Accelerating molecular property calculations with nonorthonormal Krylov space methods

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

Furche, Filipp; Krull, Brandon T.; Nguyen, Brian D.

Here, we formulate Krylov space methods for large eigenvalue problems and linear equation systems that take advantage of decreasing residual norms to reduce the cost of matrix-vector multiplication. The residuals are used as subspace basis without prior orthonormalization, which leads to generalized eigenvalue problems or linear equation systems on the Krylov space. These nonorthonormal Krylov space (nKs) algorithms are favorable for large matrices with irregular sparsity patterns whose elements are computed on the fly, because fewer operations are necessary as the residual norm decreases as compared to the conventional method, while errors in the desired eigenpairs and solution vectors remainmore » small. We consider real symmetric and symplectic eigenvalue problems as well as linear equation systems and Sylvester equations as they appear in configuration interaction and response theory. The nKs method can be implemented in existing electronic structure codes with minor modifications and yields speed-ups of 1.2-1.8 in typical time-dependent Hartree-Fock and density functional applications without accuracy loss. The algorithm can compute entire linear subspaces simultaneously which benefits electronic spectra and force constant calculations requiring many eigenpairs or solution vectors. The nKs approach is related to difference density methods in electronic ground state calculations, and particularly efficient for integral direct computations of exchange-type contractions. By combination with resolution-of-the-identity methods for Coulomb contractions, three- to fivefold speed-ups of hybrid time-dependent density functional excited state and response calculations are achieved.« less

Accelerating molecular property calculations with nonorthonormal Krylov space methods

DOE PAGES

Furche, Filipp; Krull, Brandon T.; Nguyen, Brian D.; ...

2016-05-03

Here, we formulate Krylov space methods for large eigenvalue problems and linear equation systems that take advantage of decreasing residual norms to reduce the cost of matrix-vector multiplication. The residuals are used as subspace basis without prior orthonormalization, which leads to generalized eigenvalue problems or linear equation systems on the Krylov space. These nonorthonormal Krylov space (nKs) algorithms are favorable for large matrices with irregular sparsity patterns whose elements are computed on the fly, because fewer operations are necessary as the residual norm decreases as compared to the conventional method, while errors in the desired eigenpairs and solution vectors remainmore » small. We consider real symmetric and symplectic eigenvalue problems as well as linear equation systems and Sylvester equations as they appear in configuration interaction and response theory. The nKs method can be implemented in existing electronic structure codes with minor modifications and yields speed-ups of 1.2-1.8 in typical time-dependent Hartree-Fock and density functional applications without accuracy loss. The algorithm can compute entire linear subspaces simultaneously which benefits electronic spectra and force constant calculations requiring many eigenpairs or solution vectors. The nKs approach is related to difference density methods in electronic ground state calculations, and particularly efficient for integral direct computations of exchange-type contractions. By combination with resolution-of-the-identity methods for Coulomb contractions, three- to fivefold speed-ups of hybrid time-dependent density functional excited state and response calculations are achieved.« less

A Si IV/O IV Electron Density Diagnostic for the Analysis of IRIS Solar Spectra

NASA Astrophysics Data System (ADS)

Young, P. R.; Keenan, F. P.; Milligan, R. O.; Peter, H.

2018-04-01

Solar spectra of ultraviolet bursts and flare ribbons from the Interface Region Imaging Spectrograph (IRIS) have suggested high electron densities of > {10}12 cm‑3 at transition region temperatures of 0.1 MK, based on large intensity ratios of Si IV λ1402.77 to O IV λ1401.16. In this work, a rare observation of the weak O IV λ1343.51 line is reported from an X-class flare that peaked at 21:41 UT on 2014 October 24. This line is used to develop a theoretical prediction of the Si IV λ1402.77 to O IV λ1401.16 ratio as a function of density that is recommended to be used in the high-density regime. The method makes use of new pressure-dependent ionization fractions that take account of the suppression of dielectronic recombination at high densities. It is applied to two sequences of flare kernel observations from the October 24 flare. The first shows densities that vary between 3× {10}12 and 3× {10}13 cm‑3 over a seven-minute period, while the second location shows stable density values of around 2× {10}12 cm‑3 over a three-minute period.

Use of Electronic Tag Data and Associated Analytical Tools to Identify and Predict Habitat Utilization of Marine Predators

DTIC Science & Technology

2013-09-30

fin, sperm and humpback whales). RESULTS The tracking data reveal that the California Current Large Marine Ecosystem (CCLME; Supplementary...within 1u31u grid cells. b, Density of large marine predators within the CCLME at a 0.25 º 30.25º resolution. The CCLME is a highly retentive area...sooty shearwaters). The retention with and attraction to the CCLME is consistent with the high productivity of this region that supports large

Stable sustainment of plasmas with electron internal transport barrier by ECH in the LHD

NASA Astrophysics Data System (ADS)

Yoshimura, Y.; Kasahara, H.; Tokitani, M.; Sakamoto, R.; Ueda, Y.; Marushchenko, N. B.; Seki, R.; Kubo, S.; Shimozuma, T.; Igami, H.; Takahashi, H.; Tsujimura, T. I.; Makino, R.; Kobayashi, S.; Ito, S.; Mizuno, Y.; Okada, K.; Akiyama, T.; Tanaka, K.; Tokuzawa, T.; Yamada, I.; Yamada, H.; Mutoh, T.; Takeiri, Y.; the LHD Experiment Group

2018-02-01

The long pulse experiments in the Large Helical Device has made progress in sustainment of improved confinement states. It was found that steady-state sustainment of the plasmas with improved confinement at the core region, that is, electron internal transport barrier (e-ITB), was achieved with no significant difficulty. Sustainment of a plasma having e-ITB with the line average electron density n e_ave of 1.1 × 1019 m-3 and the central electron temperature T e0 of ˜3.5 keV for longer than 5 min only with 340 kW ECH power was successfully demonstrated.

Observation of increased space-charge limited thermionic electron emission current by neutral gas ionization in a weakly-ionized deuterium plasma

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

Hollmann, E. M.; Yu, J. H.; Doerner, R. P.

2015-09-14

The thermionic electron emission current emitted from a laser-produced hot spot on a tungsten target in weakly-ionized deuterium plasma is measured. It is found to be one to two orders of magnitude larger than expected for bipolar space charge limited thermionic emission current assuming an unperturbed background plasma. This difference is attributed to the plasma being modified by ionization of background neutrals by the emitted electrons. This result indicates that the allowable level of emitted thermionic electron current can be significantly enhanced in weakly-ionized plasmas due to the presence of large neutral densities.

Transverse Space-Charge Field-Induced Plasma Dynamics for Ultraintense Electron-Beam Characterization

NASA Astrophysics Data System (ADS)

Tarkeshian, R.; Vay, J. L.; Lehe, R.; Schroeder, C. B.; Esarey, E. H.; Feurer, T.; Leemans, W. P.

2018-04-01

Similarly to laser or x-ray beams, the interaction of sufficiently intense particle beams with neutral gases will result in the creation of plasma. In contrast to photon-based ionization, the strong unipolar field of a particle beam can generate a plasma where the electron population receives a large initial momentum kick and escapes, leaving behind unshielded ions. Measuring the properties of the ensuing Coulomb exploding ions—such as their kinetic energy distribution, yield, and spatial distribution—can provide information about the peak electric fields that are achieved in the electron beams. Particle-in-cell simulations and analytical models are presented for high-brightness electron beams of a few femtoseconds or even hundreds of attoseconds, and transverse beam sizes on the micron scale, as generated by today's free electron lasers. Different density regimes for the utilization as a potential diagnostics are explored, and the fundamental differences in plasma dynamical behavior for e-beam or photon-based ionization are highlighted. By measuring the dynamics of field-induced ions for different gas and beam densities, a lower bound on the beam charge density can be obtained in a single shot and in a noninvasive way. The exponential dependency of the ionization yield on the beam properties can provide unprecedented spatial and temporal resolution, at the submicrometer and subfemtosecond scales, respectively, offering a practical and powerful approach to characterizing beams from accelerators at the frontiers of performance.

Temperature-Induced Large Broadening and Blue Shift in the Electronic Band Structure and Optical Absorption of Methylammonium Lead Iodide Perovskite.

PubMed

Yang, Jia-Yue; Hu, Ming

2017-08-17

The power conversion efficiency of hybrid halide perovskite solar cells is profoundly influenced by the operating temperature. Here we investigate the temperature influence on the electronic band structure and optical absorption of cubic CH 3 NH 3 PbI 3 from first-principles by accounting for both the electron-phonon interaction and thermal expansion. Within the framework of density functional perturbation theory, the electron-phonon coupling induces slightly enlarged band gap and strongly broadened electronic relaxation time as temperature increases. The large broadening effect is mainly due to the presence of cation organic atoms. Consequently, the temperature-dependent absorption peak exhibits blue-shift position, decreased amplitude, and broadened width. This work uncovers the atomistic origin of temperature influence on the optical absorption of cubic CH 3 NH 3 PbI 3 and can provide guidance to design high-performance hybrid halide perovskite solar cells at different operating temperatures.

Enhancement of gaps in thin graphitic films for heterostructure formation

NASA Astrophysics Data System (ADS)

Hague, J. P.

2014-04-01

There are a large number of atomically thin graphitic films with a structure similar to that of graphene. These films have a spread of band gaps relating to their ionicity and, also, to the substrate on which they are grown. Such films could have a range of applications in digital electronics, where graphene is difficult to use. I use the dynamical cluster approximation to show how electron-phonon coupling between film and substrate can enhance these gaps in a way that depends on the range and strength of the coupling. It is found that one of the driving factors in this effect is a charge density wave instability for electrons on a honeycomb lattice that can open a gap in monolayer graphene. The enhancement at intermediate coupling is sufficiently large that spatially varying substrates and superstrates could be used to create heterostructures in thin graphitic films with position-dependent electron-phonon coupling and gaps, leading to advanced electronic components.

Chemical dynamics of the first proton-coupled electron transfer of water oxidation on TiO2 anatase.

PubMed

Chen, Jia; Li, Ye-Fei; Sit, Patrick; Selloni, Annabella

2013-12-18

Titanium dioxide (TiO2) is a prototype, water-splitting (photo)catalyst, but its performance is limited by the large overpotential for the oxygen evolution reaction (OER). We report here a first-principles density functional theory study of the chemical dynamics of the first proton-coupled electron transfer (PCET), which is considered responsible for the large OER overpotential on TiO2. We use a periodic model of the TiO2/water interface that includes a slab of anatase TiO2 and explicit water molecules, sample the solvent configurations by first principles molecular dynamics, and determine the energy profiles of the two electronic states involved in the electron transfer (ET) by hybrid functional calculations. Our results suggest that the first PCET is sequential, with the ET following the proton transfer. The ET occurs via an inner sphere process, which is facilitated by a state in which one electronic hole is shared by the two oxygen ions involved in the transfer.

Pulsed x-ray imaging of high-density objects using a ten picosecond high-intensity laser driver

NASA Astrophysics Data System (ADS)

Rusby, D. R.; Brenner, C. M.; Armstrong, C.; Wilson, L. A.; Clarke, R.; Alejo, A.; Ahmed, H.; Butler, N. M. H.; Haddock, D.; Higginson, A.; McClymont, A.; Mirfayzi, S. R.; Murphy, C.; Notley, M.; Oliver, P.; Allott, R.; Hernandez-Gomez, C.; Kar, S.; McKenna, P.; Neely, D.

2016-10-01

Point-like sources of X-rays that are pulsed (sub nanosecond), high energy (up to several MeV) and bright are very promising for industrial and security applications where imaging through large and dense objects is required. Highly penetrating X-rays can be produced by electrons that have been accelerated by a high intensity laser pulse incident onto a thin solid target. We have used a pulse length of 10ps to accelerate electrons to create a bright x-ray source. The bremsstrahlung temperature was measured for a laser intensity from 8.5-12×1018 W/cm2. These x-rays have sequentially been used to image high density materials using image plate and a pixelated scintillator system.

Search for ionisation density effects in the radiation absorption stage in LiF:Mg,Ti.

PubMed

Nail, I; Horowitz, Y S; Oster, L; Brandan, M E; Rodríguez-Villafuerte, M; Buenfil, A E; Ruiz-Trejo, C; Gamboa-Debuen, I; Avila, O; Tovar, V M; Olko, P; Ipe, N

2006-01-01

Optical absorption (OA) dose-response of LiF:Mg,Ti (TLD-100) is studied as a function of electron energy (ionisation density) and irradiation dose. Contrary to the situation in thermoluminescence dose-response where the supralinearity is strongly energy-dependent, no dependence of the OA dose filling constants on energy is observed. This result is interpreted as indicating a lack of competitive process in the radiation absorption stage. The lack of an energy dependence of the dose filling constant also suggests that the charge carrier migration distances are sufficiently large to smear out the differences in the non-uniform distribution of ionisation events created by the impinging gamma/electron radiation of various energies.

Effective g-factors of carriers in inverted InAs/GaSb bilayers

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

Mu, Xiaoyang; Collaborative Innovation Center of Quantum Matter, Beijing 100871; Sullivan, Gerard

2016-01-04

We perform tilt-field transport experiment on inverted InAs/GaSb, which hosts quantum spin Hall insulator. By means of coincidence method, Landau level (LL) spectra of electron and hole carriers are systematically studied at different carrier densities tuned by gate voltages. When Fermi level stays in the conduction band, we observe LL crossing and anti-crossing behaviors at odd and even filling factors, respectively, with a corresponding g-factor of 11.5. It remains nearly constant for varying filling factors and electron densities. On the contrary, for GaSb holes, only a small Zeeman splitting is observed even at large tilt angles, indicating a g-factor ofmore » less than 3.« less

Density-matrix approach for the electroluminescence of molecules in a scanning tunneling microscope.

PubMed

Tian, Guangjun; Liu, Ji-Cai; Luo, Yi

2011-04-29

The electroluminescence (EL) of molecules confined inside a nanocavity in the scanning tunneling microscope possesses many intriguing but unexplained features. We present here a general theoretical approach based on the density-matrix formalism to describe the EL from molecules near a metal surface induced by both electron tunneling and localized surface plasmon excitations simultaneously. It reveals the underlying physical mechanism for the external bias dependent EL. The important role played by the localized surface plasmon on the EL is highlighted. Calculations for porphyrin derivatives have reproduced corresponding experimental spectra and nicely explained the observed unusual large variation of emission spectral profiles. This general theoretical approach can find many applications in the design of molecular electronic and photonic devices.

Electron Scattering by Plasmaspheric Hiss in a Nightside Plume

NASA Astrophysics Data System (ADS)

Zhang, Wenxun; Fu, Song; Gu, Xudong; Ni, Binbin; Xiang, Zheng; Summers, Danny; Zou, Zhengyang; Cao, Xing; Lou, Yuequn; Hua, Man

2018-05-01

Plasmaspheric hiss is known to play an important role in radiation belt electron dynamics in high plasma density regions. We present observations of two crossings of a plasmaspheric plume by the Van Allen Probes on 26 December 2012, which occurred unusually at the post-midnight-to-dawn sector between L 4-6 during a geomagnetically quiet period. This plume exhibited pronounced electron densities higher than those of the average plume level. Moderate hiss emissions accompanied the two plume crossings with the peak power at about 100 Hz. Quantification of quasi-linear bounce-averaged electron scattering rates by hiss in the plume demonstrates that the waves are efficient to pitch angle scatter 10-100 keV electrons at rates up to 10-4 s-1 near the loss cone but become gradually insignificant to scatter the higher energy electron population. The resultant timescales of electron loss due to hiss in the nightside plume vary largely with electron kinetic energy over 3 orders of magnitude, that is, from several hours for tens of keV electrons to a few days for hundreds of keV electrons to well above 100 days for >1 MeV electrons. Changing slightly with L-shell and the multiquartile profile of hiss spectral intensity, these electron loss timescales suggest that hiss emissions in the nightside plume act as a viable candidate for the fast loss of the ≲100 keV electrons and the slow decay of higher energy electrons.

Scalable Sub-micron Patterning of Organic Materials Toward High Density Soft Electronics

PubMed Central

Kim, Jaekyun; Kim, Myung-Gil; Kim, Jaehyun; Jo, Sangho; Kang, Jingu; Jo, Jeong-Wan; Lee, Woobin; Hwang, Chahwan; Moon, Juhyuk; Yang, Lin; Kim, Yun-Hi; Noh, Yong-Young; Yun Jaung, Jae; Kim, Yong-Hoon; Kyu Park, Sung

2015-01-01

The success of silicon based high density integrated circuits ignited explosive expansion of microelectronics. Although the inorganic semiconductors have shown superior carrier mobilities for conventional high speed switching devices, the emergence of unconventional applications, such as flexible electronics, highly sensitive photosensors, large area sensor array, and tailored optoelectronics, brought intensive research on next generation electronic materials. The rationally designed multifunctional soft electronic materials, organic and carbon-based semiconductors, are demonstrated with low-cost solution process, exceptional mechanical stability, and on-demand optoelectronic properties. Unfortunately, the industrial implementation of the soft electronic materials has been hindered due to lack of scalable fine-patterning methods. In this report, we demonstrated facile general route for high throughput sub-micron patterning of soft materials, using spatially selective deep-ultraviolet irradiation. For organic and carbon-based materials, the highly energetic photons (e.g. deep-ultraviolet rays) enable direct photo-conversion from conducting/semiconducting to insulating state through molecular dissociation and disordering with spatial resolution down to a sub-μm-scale. The successful demonstration of organic semiconductor circuitry promise our result proliferate industrial adoption of soft materials for next generation electronics. PMID:26411932

Scalable sub-micron patterning of organic materials toward high density soft electronics

DOE PAGES

Kim, Jaekyun; Kim, Myung -Gil; Kim, Jaehyun; ...

2015-09-28

The success of silicon based high density integrated circuits ignited explosive expansion of microelectronics. Although the inorganic semiconductors have shown superior carrier mobilities for conventional high speed switching devices, the emergence of unconventional applications, such as flexible electronics, highly sensitive photosensors, large area sensor array, and tailored optoelectronics, brought intensive research on next generation electronic materials. The rationally designed multifunctional soft electronic materials, organic and carbon-based semiconductors, are demonstrated with low-cost solution process, exceptional mechanical stability, and on-demand optoelectronic properties. Unfortunately, the industrial implementation of the soft electronic materials has been hindered due to lack of scalable fine-patterning methods. Inmore » this report, we demonstrated facile general route for high throughput sub-micron patterning of soft materials, using spatially selective deep-ultraviolet irradiation. For organic and carbon-based materials, the highly energetic photons (e.g. deep-ultraviolet rays) enable direct photo-conversion from conducting/semiconducting to insulating state through molecular dissociation and disordering with spatial resolution down to a sub-μm-scale. As a result, the successful demonstration of organic semiconductor circuitry promise our result proliferate industrial adoption of soft materials for next generation electronics.« less

First results from the Thomson scattering diagnostic on proto-MPEX.

PubMed

Biewer, T M; Meitner, S; Rapp, J; Ray, H; Shaw, G

2016-11-01

A Thomson scattering (TS) diagnostic has been successfully implemented on the prototype Material Plasma Exposure eXperiment (Proto-MPEX) at Oak Ridge National Laboratory. The diagnostic collects the light scattered by plasma electrons and spectroscopically resolves the Doppler shift imparted to the light by the velocity of the electrons. The spread in velocities is proportional to the electron temperature, while the total number of photons is proportional to the electron density. TS is a technique used on many devices to measure the electron temperature (T e ) and electron density (n e ) of the plasma. A challenging aspect of the technique is to discriminate the small number of Thomson scattered photons against the large peak of background photons from the high-power laser used to probe the plasma. A variety of methods are used to mitigate the background photons in Proto-MPEX, including Brewster angled windows, viewing dumps, and light baffles. With these methods, first results were measured from argon plasmas in Proto-MPEX, indicating T e ∼ 2 eV and n e ∼ 1 × 10 19 m -3 . The configuration of the Proto-MPEX TS diagnostic will be described and plans for improvement will be given.

First results from the Thomson scattering diagnostic on Proto-MPEX

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

Biewer, Theodore M; Meitner, Steven J; Rapp, Juergen

2016-01-01

A Thomson scattering diagnostic has been successfully implemented on the prototype Material Plasma Exposure eXperiment (Proto-MPEX) at Oak Ridge National Laboratory. The diagnostic collects the light scattered by plasma electrons and spectroscopically resolves the Doppler shift imparted to the light by the velocity of the electrons. The spread in velocities is proportional to the electron temperature, while the total number of photons is proportional to the electron density. Thomson scattering is a technique used on many devices to measure the electron temperature (Te) and electron density (ne) of the plasma. A challenging aspect of the technique is to discriminate themore » small number of Thomson scattered photons against the large peak of background photons from the high-power laser used to probe the plasma. A variety of methods are used to mitigate the background photons in Proto-MPEX, including Brewster angled windows, viewing dumps, and light baffles. With these methods, first results were measured from Argon plasmas in Proto-MPEX, indicating Te ~ 2 eV and ne ~ 1x1019 m-3. The configuration of the Proto-MPEX Thomson scattering diagnostic will be described and plans for improvement will be given.« less

Large-Velocity Saturation in Thin-Film Black Phosphorus Transistors.

PubMed

Chen, Xiaolong; Chen, Chen; Levi, Adi; Houben, Lothar; Deng, Bingchen; Yuan, Shaofan; Ma, Chao; Watanabe, Kenji; Taniguchi, Takashi; Naveh, Doron; Du, Xu; Xia, Fengnian

2018-05-22

A high saturation velocity semiconductor is appealing for applications in electronics and optoelectronics. Thin-film black phosphorus (BP), an emerging layered semiconductor, shows a high carrier mobility and strong mid-infrared photoresponse at room temperature. Here, we report the observation of high intrinsic saturation velocity in 7 to 11 nm thick BP for both electrons and holes as a function of charge-carrier density, temperature, and crystalline direction. We distinguish a drift velocity transition point due to the competition between the electron-impurity and electron-phonon scatterings. We further achieve a room-temperature saturation velocity of 1.2 (1.0) × 10 7 cm s -1 for hole (electron) carriers at a critical electric field of 14 (13) kV cm -1 , indicating an intrinsic current-gain cutoff frequency ∼20 GHz·μm for radio frequency applications. Moreover, the current density is as high as 580 μA μm -1 at a low electric field of 10 kV cm -1 . Our studies demonstrate that thin-film BP outperforms silicon in terms of saturation velocity and critical field, revealing its great potential in radio-frequency electronics, high-speed mid-infrared photodetectors, and optical modulators.

Electron temperatures within magnetic clouds between 2 and 4 AU: Voyager 2 observations

NASA Astrophysics Data System (ADS)

Sittler, E. C.; Burlaga, L. F.

1998-08-01

We have performed an analysis of Voyager 2 plasma electron observations within magnetic clouds between 2 and 4 AU identified by Burlaga and Behannon [1982]. The analysis has been confined to three of the magnetic clouds identified by Burlaga and Behannon that had high-quality data. The general properties of the plasma electrons within a magnetic cloud are that (1) the moment electron temperature anticorrelates with the electron density within the cloud, (2) the ratio Te/Tp tends to be >1, and (3) on average, Te/Tp~7.0. All three results are consistent with previous electron observations within magnetic clouds. Detailed analyses of the core and halo populations within the magnetic clouds show no evidence of either an anticorrelation between the core temperature TC and the electron density Ne or an anticorrelation between the halo temperature TH and the electron density. Within the magnetic clouds the halo component can contribute more than 50% of the electron pressure. The anticorrelation of Te relative to Ne can be traced to the density of the halo component relative to the density of the core component. The core electrons dominate the electron density. When the density goes up, the halo electrons contribute less to the electron pressure, so we get a lower Te. When the electron density goes down, the halo electrons contribute more to the electron pressure, and Te goes up. We find a relation between the electron pressure and density of the form Pe=αNeγ with γ~0.5.

Electron-pinned defect-dipoles for high-performance colossal permittivity materials

NASA Astrophysics Data System (ADS)

Hu, Wanbiao; Liu, Yun; Withers, Ray L.; Frankcombe, Terry J.; Norén, Lasse; Snashall, Amanda; Kitchin, Melanie; Smith, Paul; Gong, Bill; Chen, Hua; Schiemer, Jason; Brink, Frank; Wong-Leung, Jennifer

2013-09-01

The immense potential of colossal permittivity (CP) materials for use in modern microelectronics as well as for high-energy-density storage applications has propelled much recent research and development. Despite the discovery of several new classes of CP materials, the development of such materials with the required high performance is still a highly challenging task. Here, we propose a new electron-pinned, defect-dipole route to ideal CP behaviour, where hopping electrons are localized by designated lattice defect states to generate giant defect-dipoles and result in high-performance CP materials. We present a concrete example, (Nb+In) co-doped TiO2 rutile, that exhibits a largely temperature- and frequency-independent colossal permittivity (> 104) as well as a low dielectric loss (mostly < 0.05) over a very broad temperature range from 80 to 450 K. A systematic defect analysis coupled with density functional theory modelling suggests that ‘triangular’ In23+VO••Ti3+ and ‘diamond’ shaped Nb25+Ti3+ATi (A  =  Ti3+/In3+/Ti4+) defect complexes are strongly correlated, giving rise to large defect-dipole clusters containing highly localized electrons that are together responsible for the excellent CP properties observed in co-doped TiO2. This combined experimental and theoretical work opens up a promising feasible route to the systematic development of new high-performance CP materials via defect engineering.

Electron-pinned defect-dipoles for high-performance colossal permittivity materials.

PubMed

Hu, Wanbiao; Liu, Yun; Withers, Ray L; Frankcombe, Terry J; Norén, Lasse; Snashall, Amanda; Kitchin, Melanie; Smith, Paul; Gong, Bill; Chen, Hua; Schiemer, Jason; Brink, Frank; Wong-Leung, Jennifer

2013-09-01

The immense potential of colossal permittivity (CP) materials for use in modern microelectronics as well as for high-energy-density storage applications has propelled much recent research and development. Despite the discovery of several new classes of CP materials, the development of such materials with the required high performance is still a highly challenging task. Here, we propose a new electron-pinned, defect-dipole route to ideal CP behaviour, where hopping electrons are localized by designated lattice defect states to generate giant defect-dipoles and result in high-performance CP materials. We present a concrete example, (Nb+In) co-doped TiO₂ rutile, that exhibits a largely temperature- and frequency-independent colossal permittivity (> 10(4)) as well as a low dielectric loss (mostly < 0.05) over a very broad temperature range from 80 to 450 K. A systematic defect analysis coupled with density functional theory modelling suggests that 'triangular' In₂(3+)Vo(••)Ti(3+) and 'diamond' shaped Nb₂(5+)Ti(3+)A(Ti) (A = Ti(3+)/In(3+)/Ti(4+)) defect complexes are strongly correlated, giving rise to large defect-dipole clusters containing highly localized electrons that are together responsible for the excellent CP properties observed in co-doped TiO₂. This combined experimental and theoretical work opens up a promising feasible route to the systematic development of new high-performance CP materials via defect engineering.

Electromagnetic Waves and Bursty Electron Acceleration: Implications from Freja

NASA Technical Reports Server (NTRS)

Andersson, Laila; Ivchenko, N.; Wahlund, J.-E.; Clemmons, J.; Gustavsson, B.; Eliasson, L.

2000-01-01

Dispersive Alfven wave activity is identified in four dayside auroral oval events measured by the Freja satellite. The events are characterized by ion injection, bursty electron precipitation below about I keV, transverse ion heating and broadband extremely low frequency (ELF) emissions below the lower hybrid cutoff frequency (a few kHz). The broadband emissions are observed to become more electrostatic towards higher frequencies. Large-scale density depletions/cavities, as determined by the Langmuir probe measurements, and strong electrostatic emissions are often observed simultaneously. A correlation study has been carried out between the E- and B-field fluctuations below 64 Hz (the dc instrument's upper threshold) and the characteristics of the precipitating electrons. This study revealed that the energization of electrons is indeed related to the broadband ELF emissions and that the electrostatic component plays a predominant role during very active magnetospheric conditions. Furthermore, the effect of the ELF electromagnetic emissions on the larger scale field-aligned current systems has been investigated, and it is found that such an effect cannot be detected. Instead, the Alfvenic activity creates a local region of field-aligned currents. It is suggested that dispersive Alfven waves set up these local field-aligned current regions and in turn trigger more electrostatic emissions during certain conditions. In these regions ions are transversely heated, and large-scale density depletions/cavities may be created during especially active periods.

Design and Performance of a Miniature Radar L-Band Transceiver

NASA Technical Reports Server (NTRS)

McWatters, D.; Price, D.; Edelstein, W.

2004-01-01

Radar electronics developed for past JPL space missions historically had been custom designed and as such, given budgetary, time, and risk constraints, had not been optimized for maximum flexibility or miniaturization. To help reduce cost and risk of future radar missions, a generic radar module was conceived. The module includes a 1.25-GHz (L-band) transceiver and incorporates miniature high-density packaging of integrated circuits in die/chip form. The technology challenges include overcoming the effect of miniaturization and high packaging density to achieve the performance, reliability, and environmental ruggedness required for space missions. The module was chosen to have representative (generic) functionality most likely required from an L-band radar. For very large aperture phased-array spaceborne radar missions, the large dimensions of the array suggest the benefit of distributing the radar electronics into the antenna array. For such applications, this technology is essential in order to bring down the cost, mass, and power of the radar electronics module replicated in each panel of the array. For smaller sized arrays, a single module can be combined with the central radar controller and still provide the bene.ts of configuration .exibility, low power, and low mass. We present the design approach for the radar electronics module and the test results for its radio frequency (RF) portion: a miniature, low-power, radiation-hard L-band transceiver.

Ionospheric Profiling Through Nonlinear Dielectric Response to Electron Density*

NASA Astrophysics Data System (ADS)

Moses, R. W.; Jacobson, A. R.

2002-12-01

It is well known that the total electron content (TEC) along a line of sight in the ionosphere can be extracted from the frequency-dependent time lag measured in transionospheric RF signals [1]. For five years the FORTE satellite has been used to develop a substantial data base of transionospheric signals originating in both lightning and man-made sources. Here, we use signals generated by the Los Alamos Portable Pulser (LAPP) [2] and recorded by FORTE as input to a multi-layer computer model of RF wave propagation in the ionosphere, including Faraday rotation in the Earth's magnetic field. Nonlinearities in both the frequency dependence of the group velocity and the optical pathlength are modeled and matched to FORTE data to infer details of the vertical profile of electron density. Using the International Reference Ionosphere [3] as a profile model, we show how the vertical TEC, peak electron density, and ionospheric thickness can be extracted even at large transmitter-to-satellite separations. [1] Roussel-Dupre, R. A., A. R. Jacobson, and L. A. Triplett, Radio Sci., 36, 1615 (2001). [2] Massey, R.S., S.O. Knox, R.C. Franz, D.N. Holden, and C.T. Rhodes, Radio Sci., 33, 1739 (1998). [3] Bilitza, D., "International Reference Ionosphere 1990," NSSDC/WDC-A-R&S 90-92. *Work supported by USDOE

Tuning electronic transport in epitaxial graphene-based van der Waals heterostructures

NASA Astrophysics Data System (ADS)

Lin, Yu-Chuan; Li, Jun; de La Barrera, Sergio C.; Eichfeld, Sarah M.; Nie, Yifan; Addou, Rafik; Mende, Patrick C.; Wallace, Robert M.; Cho, Kyeongjae; Feenstra, Randall M.; Robinson, Joshua A.

2016-04-01

Two-dimensional tungsten diselenide (WSe2) has been used as a component in atomically thin photovoltaic devices, field effect transistors, and tunneling diodes in tandem with graphene. In some applications it is necessary to achieve efficient charge transport across the interface of layered WSe2-graphene, a semiconductor to semimetal junction with a van der Waals (vdW) gap. In such cases, band alignment engineering is required to ensure a low-resistance, ohmic contact. In this work, we investigate the impact of graphene electronic properties on the transport at the WSe2-graphene interface. Electrical transport measurements reveal a lower resistance between WSe2 and fully hydrogenated epitaxial graphene (EGFH) compared to WSe2 grown on partially hydrogenated epitaxial graphene (EGPH). Using low-energy electron microscopy and reflectivity on these samples, we extract the work function difference between the WSe2 and graphene and employ a charge transfer model to determine the WSe2 carrier density in both cases. The results indicate that WSe2-EGFH displays ohmic behavior at small biases due to a large hole density in the WSe2, whereas WSe2-EGPH forms a Schottky barrier junction.Two-dimensional tungsten diselenide (WSe2) has been used as a component in atomically thin photovoltaic devices, field effect transistors, and tunneling diodes in tandem with graphene. In some applications it is necessary to achieve efficient charge transport across the interface of layered WSe2-graphene, a semiconductor to semimetal junction with a van der Waals (vdW) gap. In such cases, band alignment engineering is required to ensure a low-resistance, ohmic contact. In this work, we investigate the impact of graphene electronic properties on the transport at the WSe2-graphene interface. Electrical transport measurements reveal a lower resistance between WSe2 and fully hydrogenated epitaxial graphene (EGFH) compared to WSe2 grown on partially hydrogenated epitaxial graphene (EGPH). Using low-energy electron microscopy and reflectivity on these samples, we extract the work function difference between the WSe2 and graphene and employ a charge transfer model to determine the WSe2 carrier density in both cases. The results indicate that WSe2-EGFH displays ohmic behavior at small biases due to a large hole density in the WSe2, whereas WSe2-EGPH forms a Schottky barrier junction. Electronic supplementary information (ESI) available. See DOI: 10.1039/c6nr01902a

Thermal conductivity switch: Optimal semiconductor/metal melting transition

NASA Astrophysics Data System (ADS)

Kim, Kwangnam; Kaviany, Massoud

2016-10-01

Scrutinizing distinct solid/liquid (s /l ) and solid/solid (s /s ) phase transitions (passive transitions) for large change in bulk (and homogenous) thermal conductivity, we find the s /l semiconductor/metal (S/M) transition produces the largest dimensionless thermal conductivity switch (TCS) figure of merit ZTCS (change in thermal conductivity divided by smaller conductivity). At melting temperature, the solid phonon and liquid molecular thermal conductivities are comparable and generally small, so the TCS requires localized electron solid and delocalized electron liquid states. For cyclic phase reversibility, the congruent phase transition (no change in composition) is as important as the thermal transport. We identify X Sb and X As (X =Al , Cd, Ga, In, Zn) and describe atomic-structural metrics for large ZTCS, then show the superiority of S/M phonon- to electron-dominated transport melting transition. We use existing experimental results and theoretical and ab initio calculations of the related properties for both phases (including the Kubo-Greenwood and Bridgman formulations of liquid conductivities). The 5 p orbital of Sb contributes to the semiconductor behavior in the solid-phase band gap and upon disorder and bond-length changes in the liquid phase this changes to metallic, creating the large contrast in thermal conductivity. The charge density distribution, electronic localization function, and electron density of states are used to mark this S/M transition. For optimal TCS, we examine the elemental selection from the transition, basic, and semimetals and semiconductor groups. For CdSb, addition of residual Ag suppresses the bipolar conductivity and its ZTCS is over 7, and for Zn3Sb2 it is expected to be over 14, based on the structure and transport properties of the better-known β -Zn4Sb3 . This is the highest ZTCS identified. In addition to the metallic melting, the high ZTCS is due to the electron-poor nature of II-V semiconductors, leading to the significantly low phonon conductivity.

Runaway electron production in DIII-D killer pellet experiments, calculated with the CQL3D/KPRAD model

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

Harvey, R. W.; Chan, V. S.; Chiu, S. C.

2000-11-01

Runaway electrons are calculated to be produced during the rapid plasma cooling resulting from ''killer pellet'' injection experiments, in general agreement with observations in the DIII-D [J. L. Luxon , Plasma Physics and Controlled Nuclear Fusion Research 1986 (International Atomic Energy Agency, Vienna, 1987), Vol. I, p. 159] tokamak. The time-dependent dynamics of the kinetic runaway distributions are obtained with the CQL3D [R. W. Harvey and M. G. McCoy, ''The CQL3D Code,'' in Proceedings of the IAEA Technical Committee Meeting on Numerical Modeling, Montreal, 1992 (International Atomic Energy Agency, Vienna, 1992), p. 489] collisional Fokker--Planck code, including the effect ofmore » small and large angle collisions and stochastic magnetic field transport losses. The background density, temperature, and Z{sub eff} are evolved according to the KPRAD [D. G. Whyte and T. E. Evans , in Proceedings of the 24th European Conference on Controlled Fusion and Plasma Physics, Berchtesgaden, Germany (European Physical Society, Petit-Lancy, 1997), Vol. 21A, p. 1137] deposition and radiation model of pellet--plasma interactions. Three distinct runway mechanisms are apparent: (1) prompt ''hot-tail runaways'' due to the residual hot electron tail remaining from the pre-cooling phase, (2) ''knock-on'' runaways produced by large-angle Coulomb collisions on existing high energy electrons, and (3) Dreicer ''drizzle'' runaway electrons due to diffusion of electrons up to the critical velocity for electron runaway. For electron densities below {approx}1x10{sup 15}cm{sup -3}, the hot-tail runaways dominate the early time evolution, and provide the seed population for late time knock-on runaway avalanche. For small enough stochastic magnetic field transport losses, the knock-on production of electrons balances the losses at late times. For losses due to radial magnetic field perturbations in excess of {approx}0.1% of the background field, i.e., {delta}B{sub r}/B{>=}0.001, the losses prevent late-time electron runaway.« less

Exchange and correlation effects on plasmon dispersions and Coulomb drag in low-density electron bilayers

NASA Astrophysics Data System (ADS)

Badalyan, S. M.; Kim, C. S.; Vignale, G.; Senatore, G.

2007-03-01

We investigate the effect of exchange and correlation (XC) on the plasmon spectrum and the Coulomb drag between spatially separated low-density two-dimensional electron layers. We adopt a different approach, which employs dynamic XC kernels in the calculation of the bilayer plasmon spectra and of the plasmon-mediated drag, and static many-body local field factors in the calculation of the particle-hole contribution to the drag. The spectrum of bilayer plasmons and the drag resistivity are calculated in a broad range of temperatures taking into account both intra- and interlayer correlation effects. We observe that both plasmon modes are strongly affected by XC corrections. After the inclusion of the complex dynamic XC kernels, a decrease of the electron density induces shifts of the plasmon branches in opposite directions. This is in stark contrast with the tendency observed within random phase approximation that both optical and acoustical plasmons move away from the boundary of the particle-hole continuum with a decrease in the electron density. We find that the introduction of XC corrections results in a significant enhancement of the transresistivity and qualitative changes in its temperature dependence. In particular, the large high-temperature plasmon peak that is present in the random phase approximation is found to disappear when the XC corrections are included. Our numerical results at low temperatures are in good agreement with the results of recent experiments by Kellogg [Solid State Commun. 123, 515 (2002)].

Chebyshev polynomial filtered subspace iteration in the discontinuous Galerkin method for large-scale electronic structure calculations

DOE PAGES

Banerjee, Amartya S.; Lin, Lin; Hu, Wei; ...

2016-10-21

The Discontinuous Galerkin (DG) electronic structure method employs an adaptive local basis (ALB) set to solve the Kohn-Sham equations of density functional theory in a discontinuous Galerkin framework. The adaptive local basis is generated on-the-fly to capture the local material physics and can systematically attain chemical accuracy with only a few tens of degrees of freedom per atom. A central issue for large-scale calculations, however, is the computation of the electron density (and subsequently, ground state properties) from the discretized Hamiltonian in an efficient and scalable manner. We show in this work how Chebyshev polynomial filtered subspace iteration (CheFSI) canmore » be used to address this issue and push the envelope in large-scale materials simulations in a discontinuous Galerkin framework. We describe how the subspace filtering steps can be performed in an efficient and scalable manner using a two-dimensional parallelization scheme, thanks to the orthogonality of the DG basis set and block-sparse structure of the DG Hamiltonian matrix. The on-the-fly nature of the ALB functions requires additional care in carrying out the subspace iterations. We demonstrate the parallel scalability of the DG-CheFSI approach in calculations of large-scale twodimensional graphene sheets and bulk three-dimensional lithium-ion electrolyte systems. In conclusion, employing 55 296 computational cores, the time per self-consistent field iteration for a sample of the bulk 3D electrolyte containing 8586 atoms is 90 s, and the time for a graphene sheet containing 11 520 atoms is 75 s.« less

Evolution of ionosphere-thermosphere (IT) parameters in the cusp region related to ion upflow events

NASA Astrophysics Data System (ADS)

Kervalishvili, Guram; Lühr, Hermann

2017-04-01

In this study we investigate the relationships of various IT parameters with the intensity of vertical ion flow. Our study area is the ionospheric cusp region in the northern hemisphere. The approach uses superposed epoch analysis (SEA) method, centered alternately on peaks of the three different variables: neutral density enhancement, vertical plasma flow, and electron temperature. Further parameters included are large-scale field-aligned currents (LSFACs) and thermospheric zonal wind velocity profiles over magnetic latitude (MLat), which are centered at the event time and location. The dependence on the interplanetary magnetic field (IMF) By component orientation and the local (Lloyd) season is of particular interest. Our investigations are based on CHAMP and DMSP (F13 and F15) satellite observations and the OMNI online database collected during the years 2002-2007. The three Lloyd seasons of 130 days each are defined as follows: local winter (1 January ± 65 days), combined equinoxes (1 April and 1 October ± 32 days), and local summer (1 July ± 65 days). A period of 130 days corresponds to the time needed by CHAMP to sample all local times. The SEA MLat profiles with respect to neutral density enhancement and vertical plasma flow peaks show no significant but only slight (decreasing towards local summer) seasonal variations for both IMF By orientations. The latitude profiles of median LSFACs show a clear dependence on the IMF By orientation. As expected, the maximum and minimum values of LSFAC amplitudes are increasing towards local summer for both IMF By signs. With respect to zero epoch latitude, FAC peaks appear equatorward (negative MLat) related to Region 1 (R1) and poleward (positive MLat) to Region 0 (R0) FACs. However, there is an imbalance between the amplitudes of LSFACs, depending on the current latitude. R1 currents are systematically stronger than R0 FACs. A somewhat different distribution of density enhancements and large-scale FACs emerges when the SEA is centered on electron temperature peaks. As expected, the background electron temperature increases towards summer and shows no dependence on the IMF By orientation. In contrast to the previous sorting the mass density enhancement shows a dependence on the IMF By sign and increases towards local summer in case of IMF By<0. As before LSFAC peak values are increasing towards local summer, but there is no clear latitudinal profile of upward and downward FACs. We think that intense precipitation of soft electrons (<100 eV) cause the electron temperature enhancement in the cusp region. But there is no direct dependence on the FAC intensity. But for neutral density enhancement and vertical plasma flow the combination of Joule heating and soft electron precipitation, causing electron temperature and conductivity enhancements, are required.

Applications of the Conceptual Density Functional Theory Indices to Organic Chemistry Reactivity.

PubMed

Domingo, Luis R; Ríos-Gutiérrez, Mar; Pérez, Patricia

2016-06-09

Theoretical reactivity indices based on the conceptual Density Functional Theory (DFT) have become a powerful tool for the semiquantitative study of organic reactivity. A large number of reactivity indices have been proposed in the literature. Herein, global quantities like the electronic chemical potential μ, the electrophilicity ω and the nucleophilicity N indices, and local condensed indices like the electrophilic P k + and nucleophilic P k - Parr functions, as the most relevant indices for the study of organic reactivity, are discussed.

Intermetallic Precipitation in Low-Density Steel

NASA Astrophysics Data System (ADS)

Chatterjee, S.; Chatterjee, A.; Chakrabarti, D.

2018-06-01

Low-density steels (LDS) represent a relatively new class of material that contains a large concentration of aluminum. In the present work, we studied the effect of copper addition to these steels. Microanalysis and electron diffraction study were used to demonstrate that on the contrary to the theoretical expectation, copper formed a variety of intermetallic, instead of metallic, precipitates on reaction with aluminum. The precipitation led to a significant age-hardening response that imparted a special characteristic to this material, which had never been reported previously.

Linear Scaling Density Functional Calculations with Gaussian Orbitals

NASA Technical Reports Server (NTRS)

Scuseria, Gustavo E.

1999-01-01

Recent advances in linear scaling algorithms that circumvent the computational bottlenecks of large-scale electronic structure simulations make it possible to carry out density functional calculations with Gaussian orbitals on molecules containing more than 1000 atoms and 15000 basis functions using current workstations and personal computers. This paper discusses the recent theoretical developments that have led to these advances and demonstrates in a series of benchmark calculations the present capabilities of state-of-the-art computational quantum chemistry programs for the prediction of molecular structure and properties.

Oxides Surfaces and Novel Electronic Properties

NASA Astrophysics Data System (ADS)

Koirala, Pratik

The scope of this thesis extends to the study of surface structures and electronic properties in a number of complex oxides. The c(6x2) surface reconstruction on SrTiO3 (001) was solved using a combination of plan view transmission electron microscopy imaging, atomic resolution secondary electron imaging, and density functional theory calculations. This work provided fundamental insights on the effects of dielectric screening in secondary electron generation. A thorough analysis on the limitation and functionality of transmission plan view imaging showed that the kinematical approximations used in the separation of top and bottom surfaces is only valid in thin samples (˜5 nm or less for SrTiO3). The presence of an inversion center in the surface structure also made separation of the top and bottom surfaces more robust. Surface studies of two other oxides, KTaO3 and NdGaO3, provided understanding on the mechanism of surface heterogeneity and segregation. In the case of KTaO3, selective ion sputtering and the loss of K resulted in large stoichiometric variations at the surface. Annealing of such samples led to the formation of a potassium deficient tetragonal phase (K 6Ta10.8O30) on the surface. A similar phenomenon was also observed in NdGaO3. Exploratory surface studies of the rare earth scandates (ReScO3 , Re = Gd, Tb, Dy) led to the observation of large flexoelectric bending inside an electron microscope. Thin rods of these scandates bent by up to 90 degree under a focused electron beam; the bending was fully reversible. Ex-situ measurements of flexoelectric coe cient performed by an- other graduate student, Christopher Mizzi, confirmed that the scandates have a large flexocoupling voltage (˜42 V). Electronic structure of the lanthanide scandates was studied using temperature depen- dent X-ray photoelectron spectroscopy and hybrid density functional theory calculations. The amount of charging under X-ray illumination was greatly reduced with increasing temperature owing to the presence of oxygen vacancies and surface band gap reduction. These results also indicated that the 4f-electrons are active components of the valence band electronic structure. We believe that the lanthanide scandates are a rich playground of material properties and have potential for applications in electronic and nano-mechanical devices.

REVIEWS OF TOPICAL PROBLEMS: The large-scale structure of the universe

NASA Astrophysics Data System (ADS)

Shandarin, S. F.; Doroshkevich, A. G.; Zel'dovich, Ya B.

1983-01-01

A survey is given of theories for the origin of large-scale structure in the universe: clusters and superclusters of galaxies, and vast black regions practically devoid of galaxies. Special attention is paid to the theory of a neutrino-dominated universe—a cosmology in which electron neutrinos with a rest mass of a few tens of electron volts would contribute the bulk of the mean density. The evolution of small perturbations is discussed, and estimates are made for the temperature anisotropy of the microwave background radiation on various angular scales. The nonlinear stage in the evolution of smooth irrotational perturbations in a lowpressure medium is described in detail. Numerical experiments simulating large-scale structure formation processes are discussed, as well as their interpretation in the context of catastrophe theory.

Ionospheric variations during sudden stratospheric warming in the high- and mid-latitude regions

NASA Astrophysics Data System (ADS)

Yasyukevich, Anna; Voeykov, Sergey; Mylnikova, Anna

2017-04-01

The ionospheric dynamic in the high- and middle-latitude regions during the periods of sudden stratospheric warmings (SSW) was studied by using the international network of phase dual-frequency GPS/GLONASS receivers and the vertical sounding data. Twelve SSW events that occurred in the Northern Hemisphere 2006 through 2013 were considered. In order to identify the possible response of the ionosphere to SSW events, we carried out the analysis of the total electron (TEC) and the F2-layer maximum electron density (NmF2) deviations from the background level. We have also studied changes of the level of total electron content (TEC) wave-like variations characterized by a special index WTEC. The index reflects the intensity of medium- and large-scale traveling ionospheric disturbances. The dynamics of the high- and middle-latitude ionosphere at the points near the SSW areas was found to differ from the regular. For a large number of events, it is shown that, despite quiet geomagnetic conditions, a noticeable decrease in the NmF2 and TEC values (by 5-10% relative to the background level) is observed during the SSW evolution and maximum stages. On the contrary, for 10-20 days after the SSW maxima, NmF2 and TEC significantly exceed the monthly averaged values. Moreover, these electron density changes are observed for both strong and weak stratospheric warmings, and are recorded mainly during daytime. The observed SSW effects in the polar and mid-latitude ionosphere are assumed to be probably associated with the changes in the neutral composition at the thermospheric heights that affect the F2-layer electron density. The study is supported by the Russian Foundation for Basic Research under Grant No. 16-35-60018, as well as by the RF President Grant of Public Support for RF Leading Scientific Schools (NSh-6894.2016.5).

Electronic structure and static dipole polarizability of C60@C240

NASA Astrophysics Data System (ADS)

Zope, Rajendra R.

2008-04-01

The electronic structure of C60@C240 and its first-order response to a static electric field is studied by an all-electron density functional theory calculation using large polarized Gaussian basis sets. Our results show that the outer C240 shell almost completely shields the inner C60 as inferred from the practically identical values of dipole polarizability of the C60@C240 onion (449 Å3) and that of the isolated C240 fullerene (441 Å3). The C60@C240 is thus a near-perfect Faraday cage.

Plasma characteristics of long-pulse discharges heated by neutral beam injection in the Large Helical Device

NASA Astrophysics Data System (ADS)

Takeiri, Y.; Nakamura, Y.; Noda, N.; Osakabe, M.; Kawahata, K.; Oka, Y.; Kaneko, O.; Tsumori, K.; Sato, M.; Mutoh, T.; Shimozuma, T.; Goto, M.; Ida, K.; Inagaki, S.; Kado, S.; Masuzaki, S.; Morita, S.; Nagayama, Y.; Narihara, K.; Peterson, B. J.; Sakakibara, S.; Sato, K.; Shoji, M.; Tanaka, K.; de Vries, P. C.; Sudo, S.; Ohyabu, N.; Motojima, O.

2000-02-01

Long-pulse neutral beam injection heating has been achieved in the large helical device (LHD). Two different confinement states are observed for different averaged densities in the long-pulse plasmas. A quasi-steady-state plasma was sustained for 21 s with an injection power of 0.6 MW, where the central plasma temperature was around 1 keV with a line-averaged electron density of 0.3 × 1019 m-3 . The discharge duration can be so extended as to keep the plasma properties in the short-pulse discharge. The energy confinement time is nearly the same as that of the short-pulse discharge, which is 1.3 times as long as the international stellarator scaling ISS95. At higher densities, a relaxation oscillation phenomenon, observed as if the plasma would breathe, lasted for 20 s with a period of 1-2 s. The phenomenon is characterized with profile expansion and contraction of the electron temperature. The density oscillation is out of phase with the temperature oscillation and is related to the density clamping phenomenon. The observed plasma properties are shown in detail for the `breathing' oscillation phenomenon. Possible mechanisms for the breathing oscillation are also discussed, with a view of the screening effect near the last closed magnetic surface and the power balance between the heating and the radiation powers. The long-pulse heating results indicate unique characteristics of the LHD where no special feedback stabilization is required due to absence of disruption and no need for current drive.

Oxidation catalysis by polyoxometalates fundamental electron-transfer phenomena

Treesearch

Yurii V. Geletii; Rajai H. Atalla; Alan J. Bailey; Laurent Delannoy; Craig L. Hill; Ira A. Weinstock

2002-01-01

Early transition-metal oxygen-anion clusters (polyoxometalates, POMs) are a large and rapidly growing class of versatile and tunable oxidation catalysts. All key molecular properties of these clusters (composition, size, shape, charge density, reduction potential, solubility, etc.) can be systematically altered, and the clusters themselves can serve as tunable ligands...

Pressed boride cathodes

NASA Technical Reports Server (NTRS)

Wolski, W.

1985-01-01

Results of experimental studies of emission cathodes made from lanthanum, yttrium, and gadolinium hexaborides are presented. Maximum thermal emission was obtained from lanthanum hexaboride electrodes. The hexaboride cathodes operated stably under conditions of large current density power draw, at high voltages and poor vacuum. A microtron electron gun with a lanthanum hexaboride cathode is described.

Continuum and atomistic description of excess electrons in TiO2

NASA Astrophysics Data System (ADS)

Maggio, Emanuele; Martsinovich, Natalia; Troisi, Alessandro

2016-02-01

The modelling of an excess electron in a semiconductor in a prototypical dye sensitised solar cell is carried out using two complementary approaches: atomistic simulation of the TiO2 nanoparticle surface is complemented by a dielectric continuum model of the solvent-semiconductor interface. The two methods are employed to characterise the bound (excitonic) states formed by the interaction of the electron in the semiconductor with a positive charge opposite the interface. Density-functional theory (DFT) calculations show that the excess electron in TiO2 in the presence of a counterion is not fully localised but extends laterally over a large region, larger than system sizes accessible to DFT calculations. The numerical description of the excess electron at the semiconductor-electrolyte interface based on the continuum model shows that the exciton is also delocalised over a large area: the exciton radius can have values from tens to hundreds of Ångströms, depending on the nature of the semiconductor (characterised by the dielectric constant and the electron effective mass in our model).

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

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

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

2007-11-15

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

Electron heating by intense short-pulse lasers propagating through near-critical plasmas

NASA Astrophysics Data System (ADS)

Debayle, A.; Mollica, F.; Vauzour, B.; Wan, Y.; Flacco, A.; Malka, V.; Davoine, X.; Gremillet, L.

2017-12-01

We investigate the electron heating induced by a relativistic-intensity laser pulse propagating through a near-critical plasma. Using particle-in-cell simulations, we show that a specific interaction regime sets in when, due to the energy depletion caused by the plasma wakefield, the laser front profile has steepened to the point of having a length scale close to the laser wavelength. Wave breaking and phase mixing have then occurred, giving rise to a relativistically hot electron population following the laser pulse. This hot electron flow is dense enough to neutralize the cold bulk electrons during their backward acceleration by the wakefield. This neutralization mechanism delays, but does not prevent the breaking of the wakefield: the resulting phase mixing converts the large kinetic energy of the backward-flowing electrons into thermal energy greatly exceeding the conventional ponderomotive scaling at laser intensities > {10}21 {{{W}}{cm}}-2 and gas densities around 10% of the critical density. We develop a semi-numerical model, based on the Akhiezer-Polovin equations, which correctly reproduces the particle-in-cell-predicted electron thermal energies over a broad parameter range. Given this good agreement, we propose a criterion for full laser absorption that includes field-induced ionization. Finally, we show that our predictions still hold in a two-dimensional geometry using a realistic gas profile.

Evolution of the radial electric field in high-Te ECH heated plasmas on LHD

NASA Astrophysics Data System (ADS)

Pablant, Novimir; Bitter, Manfred; Delgado Aparicio, Luis F.; Dinklage, Andreas; Gates, David; Goto, Motoshi; Ido, Takeshi; Hill, Kenneth H.; Kubo, Shin; Morita, Shigeru; Nagaoka, Kenichi; Oishi, Tetsutarou; Satake, Shinsuke; Takahashi, Hiromi; Yokoyama, Masayuki; LHD Experiment Group Team

2014-10-01

A detailed study is presented on the evolution of the radial electric field (Er) under a range of densities and injected ECH powers on the Large Helical Device (LHD). These plasmas focused on high-electron temperature ECH heated plasmas which exhibit a transition of Er from the ion-root to the electron-root when either the density is reduced or the ECH power is increased. Measurements of poloidal rotation were achieved using the X-Ray Imaging Crystal Spectrometer (XICS) and are compared with neo-classical predictions of the radial electric field using the GSRAKE and FORTEC-3D codes. This study is based on a series of experiments on LHD which used fast modulation of the gyrotrons on LHD to produce a detailed power scan with a constant power deposition profile. This is a novel application of this technique to LHD, and has provided the most detailed study to date on dependence of the radial electric field on the injected power. Detailed scans of the density at constant injected power were also made, allowing a separation of the power and density dependence.

Interaction between the lower hybrid wave and density fluctuations in the scrape-off layer

NASA Astrophysics Data System (ADS)

Peysson, Y.; Madi, M.; Decker, J.; Kabalan, K.

2015-12-01

In the present paper, the perturbation of the launched power spectrum of the Lower Hybrid wave at the separatrix by electron density fluctuations in the scrape-off layer is investigated. Considering a slab geometry with magnetic field lines parallel to the toroidal direction, the full wave equation is solved using Comsol Multiphysics® for a fully active multi-junction like LH antenna made of two modules. When electron density fluctuations are incorporated in the dielectric tensor over a thin perturbed layer in front of the grill, it is shown that the power spectrum may be strongly modified from the antenna mouth to the plasma separatrix as the wave propagates. The diffraction effect leads to the appearance of multiple satellite lobes with randomly varying positions, a feature consistent with the recently developed model that has been applied successfully to high density discharges on the Tokamak Tore Supra corresponding to the large spectral gap regime [Decker J. et al. Phys. Plasma 21 (2014) 092504]. The perturbation is found to be maximum for the Fourier components of the fluctuating spectrum in the vicinity of the launched LH wavelength.

Time-dependent transition density matrix for visualizing charge-transfer excitations in photoexcited organic donor-acceptor systems

NASA Astrophysics Data System (ADS)

Li, Yonghui; Ullrich, Carsten

2013-03-01

The time-dependent transition density matrix (TDM) is a useful tool to visualize and interpret the induced charges and electron-hole coherences of excitonic processes in large molecules. Combined with time-dependent density functional theory on a real-space grid (as implemented in the octopus code), the TDM is a computationally viable visualization tool for optical excitation processes in molecules. It provides real-time maps of particles and holes which gives information on excitations, in particular those that have charge-transfer character, that cannot be obtained from the density alone. Some illustration of the TDM and comparison with standard density difference plots will be shown for photoexcited organic donor-acceptor molecules. This work is supported by NSF Grant DMR-1005651

Plasma non-uniformity in a symmetric radiofrequency capacitively-coupled reactor with dielectric side-wall: a two dimensional particle-in-cell/Monte Carlo collision simulation

NASA Astrophysics Data System (ADS)

Liu, Yue; Booth, Jean-Paul; Chabert, Pascal

2018-02-01

A Cartesian-coordinate two-dimensional electrostatic particle-in-cell/Monte Carlo collision (PIC/MCC) plasma simulation code is presented, including a new treatment of charge balance at dielectric boundaries. It is used to simulate an Ar plasma in a symmetric radiofrequency capacitively-coupled parallel-plate reactor with a thick (3.5 cm) dielectric side-wall. The reactor size (12 cm electrode width, 2.5 cm electrode spacing) and frequency (15 MHz) are such that electromagnetic effects can be ignored. The dielectric side-wall effectively shields the plasma from the enhanced electric field at the powered-grounded electrode junction, which has previously been shown to produce locally enhanced plasma density (Dalvie et al 1993 Appl. Phys. Lett. 62 3207-9 Overzet and Hopkins 1993 Appl. Phys. Lett. 63 2484-6 Boeuf and Pitchford 1995 Phys. Rev. E 51 1376-90). Nevertheless, enhanced electron heating is observed in a region adjacent to the dielectric boundary, leading to maxima in ionization rate, plasma density and ion flux to the electrodes in this region, and not at the reactor centre as would otherwise be expected. The axially-integrated electron power deposition peaks closer to the dielectric edge than the electron density. The electron heating components are derived from the PIC/MCC simulations and show that this enhanced electron heating results from increased Ohmic heating in the axial direction as the electron density decreases towards the side-wall. We investigated the validity of different analytical formulas to estimate the Ohmic heating by comparing them to the PIC results. The widespread assumption that a time-averaged momentum transfer frequency, v m , can be used to estimate the momentum change can cause large errors, since it neglects both phase and amplitude information. Furthermore, the classical relationship between the total electron current and the electric field must be used with caution, particularly close to the dielectric edge where the (neglected) pressure gradient term becomes significant.

Martian Dust Devil Electron Avalanche Process and Associated Electrochemistry

NASA Technical Reports Server (NTRS)

Jackson, Telana L.; Farrell, William M.; Delory, Gregory T.; Nithianandam, Jeyasingh

2010-01-01

Mars' dynamic atmosphere displays localized dust devils and larger, global dust storms. Based on terrestrial analog studies, electrostatic modeling, and laboratory work these features will contain large electrostatic fields formed via triboelectric processes. In the low-pressure Martian atmosphere, these fields may create an electron avalanche and collisional plasma due to an increase in electron density driven by the internal electrical forces. To test the hypothesis that an electron avalanche is sustained under these conditions, a self-consistent atmospheric process model is created including electron impact ionization sources and electron losses via dust absorption, electron dissociation attachment, and electron/ion recombination. This new model is called the Dust Devil Electron Avalanche Model (DDEAM). This model solves simultaneously nine continuity equations describing the evolution of the primary gaseous chemical species involved in the electrochemistry. DDEAM monitors the evolution of the electrons and primary gas constituents, including electron/water interactions. We especially focus on electron dynamics and follow the electrons as they evolve in the E field driven collisional gas. When sources and losses are self-consistently included in the electron continuity equation, the electron density grows exponentially with increasing electric field, reaching an equilibrium that forms a sustained time-stable collisional plasma. However, the character of this plasma differs depending upon the assumed growth rate saturation process (chemical saturation versus space charge). DDEAM also shows the possibility of the loss of atmospheric methane as a function of electric field due to electron dissociative attachment of the hydrocarbon. The methane destruction rates are presented and can be included in other larger atmospheric models.

Electronic energy density in chemical reaction systems

NASA Astrophysics Data System (ADS)

Tachibana, Akitomo

2001-08-01

The energy of chemical reaction is visualized in real space using the electronic energy density nE(r⃗) associated with the electron density n(r⃗). The electronic energy density nE(r⃗) is decomposed into the kinetic energy density nT(r⃗), the external potential energy density nV(r⃗), and the interelectron potential energy density nW(r⃗). Using the electronic energy density nE(r⃗) we can pick up any point in a chemical reaction system and find how the electronic energy E is assigned to the selected point. We can then integrate the electronic energy density nE(r⃗) in any region R surrounding the point and find out the regional electronic energy ER to the global E. The kinetic energy density nT(r⃗) is used to identify the intrinsic shape of the reactants, the electronic transition state, and the reaction products along the course of the chemical reaction coordinate. The intrinsic shape is identified with the electronic interface S that discriminates the region RD of the electronic drop from the region RA of the electronic atmosphere in the density distribution of the electron gas. If the R spans the whole space, then the integral gives the total E. The regional electronic energy ER in thermodynamic ensemble is realized in electrochemistry as the intrinsic Volta electric potential φR and the intrinsic Herring-Nichols work function ΦR. We have picked up first a hydrogen-like atom for which we have analytical exact expressions of the relativistic kinetic energy density nTM(r⃗) and its nonrelativistic version nT(r⃗). These expressions are valid for any excited bound states as well as the ground state. Second, we have selected the following five reaction systems and show the figures of the nT(r⃗) as well as the other energy densities along the intrinsic reaction coordinates: a protonation reaction to He, addition reactions of HF to C2H4 and C2H2, hydrogen abstraction reactions of NH3+ from HF and NH3. Valence electrons possess their unique delocalized drop region remote from those heavily localized drop regions adhered to core electrons. The kinetic energy density nT(r⃗) and the tension density τ⃗S(r⃗) can vividly demonstrate the formation of the chemical bond. Various basic chemical concepts in these chemical reaction systems have been clearly visualized in real three-dimensional space.

Electromagnetic radiation from beam-plasma instabilities

NASA Technical Reports Server (NTRS)

Stenzel, R. L.; Whelan, D. A.

1982-01-01

The mechanism by which unstable electrostatic waves of an electron-beam plasma system are converted into observed electromagnetic waves is of great current interest in space plasma physics. Electromagnetic radiation arises from both natural beam-plasma systems, e.g., type III solar bursts and kilometric radiation, and from man-made electron beams injected from rockets and spacecraft. In the present investigation the diagnostic difficulties encountered in space plasmas are overcome by using a large laboratory plasma. A finite diameter (d approximately equal to 0.8 cm) electron beam is injected into a uniform quiescent magnetized afterglow plasma of dimensions large compared with electromagnetic wavelength. Electrostatic waves grow, saturate and decay within the uniform central region of the plasma volume so that linear mode conversion on density gradients can be excluded as a possible generation mechanism for electromagnetic waves.

Channeling of electron transport to improve collection efficiency in mesoporous titanium dioxide dye sensitized solar cell stacks

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

Fakharuddin, Azhar; Ahmed, Irfan; Yusoff, Mashitah M.

2014-02-03

Dye-sensitized solar cell (DSC) modules are generally made by interconnecting large photoelectrode strips with optimized thickness (∼14 μm) and show lower current density (J{sub SC}) compared with their single cells. We found out that the key to achieving higher J{sub SC} in large area devices is optimized photoelectrode volume (V{sub D}), viz., thickness and area which facilitate the electron channeling towards working electrode. By imposing constraints on electronic path in a DSC stack, we achieved >50% increased J{sub SC} and ∼60% increment in photoelectric conversion efficiency in photoelectrodes of similar V{sub D} (∼3.36 × 10{sup −4} cm{sup 3}) without using any metallic gridmore » or a special interconnections.« less

Enhancing dielectric permittivity for energy-storage devices through tricritical phenomenon

PubMed Central

Gao, Jinghui; Wang, Yan; Liu, Yongbin; Hu, Xinghao; Ke, Xiaoqin; Zhong, Lisheng; He, Yuting; Ren, Xiaobing

2017-01-01

Although dielectric energy-storing devices are frequently used in high voltage level, the fast growing on the portable and wearable electronics have been increasing the demand on the energy-storing devices at finite electric field strength. This paper proposes an approach on enhancing energy density under low electric field through compositionally inducing tricriticality in Ba(Ti,Sn)O3 ferroelectric material system with enlarged dielectric response. The optimal dielectric permittivity at tricritical point can reach to εr = 5.4 × 104, and the associated energy density goes to around 30 mJ/cm3 at the electric field of 10 kV/cm, which exceeds most of the selected ferroelectric materials at the same field strength. The microstructure nature for such a tricritical behavior shows polarization inhomogeneity in nanometeric scale, which indicates a large polarizability under external electric field. Further phenomenological Landau modeling suggests that large dielectric permittivity and energy density can be ascribed to the vanishing of energy barrier for polarization altering caused by tricriticality. Our results may shed light on developing energy-storing dielectrics with large permittivity and energy density at low electric field. PMID:28098249

Large-Area High-Performance Flexible Pressure Sensor with Carbon Nanotube Active Matrix for Electronic Skin.

PubMed

Nela, Luca; Tang, Jianshi; Cao, Qing; Tulevski, George; Han, Shu-Jen

2018-03-14

Artificial "electronic skin" is of great interest for mimicking the functionality of human skin, such as tactile pressure sensing. Several important performance metrics include mechanical flexibility, operation voltage, sensitivity, and accuracy, as well as response speed. In this Letter, we demonstrate a large-area high-performance flexible pressure sensor built on an active matrix of 16 × 16 carbon nanotube thin-film transistors (CNT TFTs). Made from highly purified solution tubes, the active matrix exhibits superior flexible TFT performance with high mobility and large current density, along with a high device yield of nearly 99% over 4 inch sample area. The fully integrated flexible pressure sensor operates within a small voltage range of 3 V and shows superb performance featuring high spatial resolution of 4 mm, faster response than human skin (<30 ms), and excellent accuracy in sensing complex objects on both flat and curved surfaces. This work may pave the road for future integration of high-performance electronic skin in smart robotics and prosthetic solutions.

On the Relative Importance of Convection and Temperature on the Behavior of the Ionosphere in North American during January 6-12, 1997

NASA Technical Reports Server (NTRS)

Richards, P. G.; Buonsanto, M. J.; Reinisch, B. W.; Holt, J.; Fennelly, J. A.; Scali, J. L.; Comfort, R. H.; Germany, G. A.; Spann, J.; Brittnacher, M.

1999-01-01

Measurements from a network of digisondes and an incoherent scatter radar In Eastern North American For January 6-12, 1997 have been compared with the Field Line Interhemispheric Plasma (FLIP) model which now includes the effects of electric field convective. With the exception of Bermuda, the model reproduces the daytime electron density very well most of the time. As is typical behavior for winter solar minimum on magnetically undisturbed nights, the measurements at Millstone Hill show high electron temperatures before midnight followed by a rapid decay, which is accompanied by a pronounced density enhancement in the early morning hours. The FLIP model reproduces the nighttime density enhancement well, provided the model is constrained to follow the topside electron temperature and the flux tube is full. Similar density enhancements are seen at Goose Bay, Wallops Island and Bermuda. However, the peak height variation and auroral images indicate the density enhancements at Goose Bay are most likely due to particle precipitation. Contrary to previously published work we find that the nighttime density variation at Millstone Hill is driven by the temperature behavior and not the other way around. Thus, in both the data and model, the overall nighttime density is lowered and the enhancement does not occur if the temperature remains high all night. Our calculations show that convections of plasma from higher magnetic latitudes does not cause the observed density maximum but it may enhance the density maximum if over-full flux tubes are convected over the station. On the other had, convection of flux tubes with high temperatures and depleted densities may prevent the density maximum from occurring. Despite the success in modeling the nighttime density enhancements, there remain two unresolved problems. First, the measured density decays much faster than the modeled density near sunset at Millstone Hill and Goose Bay though not at lower latitude stations. Second, we cannot fully explain the large temperatures before midnight nor the sudden decay near midnight.

Weavable, Conductive Yarn-Based NiCo//Zn Textile Battery with High Energy Density and Rate Capability.

PubMed

Huang, Yan; Ip, Wing Shan; Lau, Yuen Ying; Sun, Jinfeng; Zeng, Jie; Yeung, Nga Sze Sea; Ng, Wing Sum; Li, Hongfei; Pei, Zengxia; Xue, Qi; Wang, Yukun; Yu, Jie; Hu, Hong; Zhi, Chunyi

2017-09-26

With intrinsic safety and much higher energy densities than supercapacitors, rechargeable nickel/cobalt-zinc-based textile batteries are promising power sources for next generation personalized wearable electronics. However, high-performance wearable nickel/cobalt-zinc-based batteries are rarely reported because there is a lack of industrially weavable and knittable highly conductive yarns. Here, we use scalably produced highly conductive yarns uniformly covered with zinc (as anode) and nickel cobalt hydroxide nanosheets (as cathode) to fabricate rechargeable yarn batteries. They possess a battery level capacity and energy density, as well as a supercapacitor level power density. They deliver high specific capacity of 5 mAh cm -3 and energy densities of 0.12 mWh cm -2 and 8 mWh cm -3 (based on the whole solid battery). They exhibit ultrahigh rate capabilities of 232 C (liquid electrolyte) and 116 C (solid electrolyte), which endows the batteries excellent power densities of 32.8 mW cm -2 and 2.2 W cm -3 (based on the whole solid battery). These are among the highest values reported so far. A wrist band battery is further constructed by using a large conductive cloth woven from the conductive yarns by a commercial weaving machine. It powers various electronic devices successfully, enabling dual functions of wearability and energy storage.

Modeling the behavior of ionosphere above Millstone Hill during the September 21-27, 1998 storm

NASA Astrophysics Data System (ADS)

Lei, Jiuhou; Liu, Libo; Wan, Weixing; Zhang, Shun-Rong

2004-08-01

A theoretical ionospheric model is employed to investigate the ionospheric behavior as observed by the incoherent-scatter radar (ISR) at Millstone Hill during the September 21-27, 1998 storm. The observed NmF2 presented a significant negative phase on September 25, and a G condition (hmF2<200km) was also observed. The model results based on the standard input parameters (climatological model values) are in good agreement with the observed electron densities under quiet conditions, but there are large discrepancies during disturbed periods. The exospheric temperature Tex, neutral winds, atomic oxygen density [O] and molecular nitrogen density [N2], and solar flux are inferred from the ISR ion temperature profiles and from the electron density profiles. Our calculated results show that the maximum Tex is higher than 1700K, and an averaged decrease in [O] is a factor of 2.2 and an increase in [N2] at 300km is about 1.8 times for the disturbed day, September 25, relative to the quiet day level. Therefore, the large change of [N2]/[O] ratio gives a good explanation for the negative phase at Millstone Hill during this storm. Furthermore, at the disturbed nighttime the observations show a strong NmF2 decrease, accompanied by a significant hmF2 increase after the sudden storm commencement (SSC). Simulations are carried out based on the inferred Tex. It is found that the uplift of F2 layer during the period from sunset to post-midnight is mainly associated with the large equatorward winds, and a second rise in hmF2 after midnight results from the depleted Ne in the bottom-side of F2 layer due to the increased recombination, while the ``midnight collapse'' of hmF2 is attributed to the large-scale traveling atmospheric disturbances.

Mapping low-frequency carbon radio recombination lines towards Cassiopeia A at 340, 148, 54, and 43 MHz

NASA Astrophysics Data System (ADS)

Salas, P.; Oonk, J. B. R.; van Weeren, R. J.; Wolfire, M. G.; Emig, K. L.; Toribio, M. C.; Röttgering, H. J. A.; Tielens, A. G. G. M.

2018-04-01

Quantitative understanding of the interstellar medium requires knowledge of its physical conditions. Low-frequency carbon radio recombination lines (CRRLs) trace cold interstellar gas and can be used to determine its physical conditions (e.g. electron temperature and density). In this work, we present spatially resolved observations of the low-frequency (≤390 MHz) CRRLs centred around C268α, C357α, C494α, and C539α towards Cassiopeia A on scales of ≤1.2 pc. We compare the spatial distribution of CRRLs with other interstellar medium tracers. This comparison reveals a spatial offset between the peak of the CRRLs and other tracers, which is very characteristic for photodissociation regions and that we take as evidence for CRRLs being preferentially detected from the surfaces of molecular clouds. Using the CRRLs, we constrain the gas electron temperature and density. These constraints on the gas conditions suggest variations of less than a factor of 2 in pressure over ˜1 pc scales, and an average hydrogen density of 200-470 cm-3. From the electron temperature and density maps, we also constrain the ionized carbon emission measure, column density, and path length. Based on these, the hydrogen column density is larger than 1022 cm-2, with a peak of ˜4 × 1022 cm-2 towards the south of Cassiopeia A. Towards the southern peak, the line-of-sight length is ˜40 pc over a ˜2 pc wide structure, which implies that the gas is a thin surface layer on a large (molecular) cloud that is only partially intersected by Cassiopeia A. These observations highlight the utility of CRRLs as tracers of low-density extended H I and CO-dark gas halo's around molecular clouds.

Excess electron is trapped in a large single molecular cage C60F60.

PubMed

Wang, Yin-Feng; Li, Zhi-Ru; Wu, Di; Sun, Chia-Chung; Gu, Feng-Long

2010-01-15

A new kind of solvated electron systems, sphere-shaped e(-)@C60F60 (I(h)) and capsule-shaped e(-)@C60F60 (D6h), in contrast to the endohedral complex M@C60, is represented at the B3LYP/6-31G(d) + dBF (diffusive basis functions) density functional theory. It is proven, by examining the singly occupied molecular orbital (SOMO) and the spin density map of e(-)@C60F60, that the excess electron is indeed encapsulated inside the C60F60 cage. The shape of the electron cloud in SOMO matches with the shape of C60F60 cage. These cage-like single molecular solvated electrons have considerably large vertical electron detachment energies VDE of 4.95 (I(h)) and 4.67 eV (D6h) at B3LYP/6-31+G(3df) + dBF level compared to the VDE of 3.2 eV for an electron in bulk water (Coe et al., Int Rev Phys Chem 2001, 20, 33) and that of 3.66 eV for e(-)@C20F20 (Irikura, J Phys Chem A 2008, 112, 983), which shows their higher stability. The VDE of the sphere-shaped e(-)@C60F60 (I(h)) is greater than that of the capsule-shaped e(-)@C60F60 (D6h), indicating that the excess electron prefers to reside in the cage with the higher symmetry to form the more stable solvated electron. It is also noticed that the cage size [7.994 (I(h)), 5.714 and 9.978 A (D6h) in diameter] is much larger than that (2.826 A) of (H2O)20- dodecahedral cluster (Khan, Chem Phys Lett 2005, 401, 85). Copyright 2009 Wiley Periodicals, Inc.

A new apparatus for electron tomography in the scanning electron microscope

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

Morandi, V., E-mail: morandi@bo.imm.cnr.it; Maccagnani, P.; Masini, L.

2015-06-23

The three-dimensional reconstruction of a microscopic specimen has been obtained by applying the tomographic algorithm to a set of images acquired in a Scanning Electron Microscope. This result was achieved starting from a series of projections obtained by stepwise rotating the sample under the beam raster. The Scanning Electron Microscope was operated in the scanning-transmission imaging mode, where the intensity of the transmitted electron beam is a monotonic function of the local mass-density and thickness of the specimen. The detection strategy has been implemented and tailored in order to maintain the projection requirement over the large tilt range, as requiredmore » by the tomographic workflow. A Si-based electron detector and an eucentric-rotation specimen holder have been specifically developed for the purpose.« less

Electron Currents and Heating in the Ion Diffusion Region of Asymmetric Reconnection

NASA Technical Reports Server (NTRS)

Graham, D. B.; Khotyaintsev, Yu. V.; Norgren, C.; Vaivads, A.; Andre, M.; Lindqvist, P. A.; Marklund, G. T.; Ergun, R. E.; Paterson, W. R.; Gershman, D. J.;

Scaling within the spectral function approach

NASA Astrophysics Data System (ADS)

Sobczyk, J. E.; Rocco, N.; Lovato, A.; Nieves, J.

2018-03-01

Scaling features of the nuclear electromagnetic response functions unveil aspects of nuclear dynamics that are crucial for interpreting neutrino- and electron-scattering data. In the large momentum-transfer regime, the nucleon-density response function defines a universal scaling function, which is independent of the nature of the probe. In this work, we analyze the nucleon-density response function of 12C, neglecting collective excitations. We employ particle and hole spectral functions obtained within two distinct many-body methods, both widely used to describe electroweak reactions in nuclei. We show that the two approaches provide compatible nucleon-density scaling functions that for large momentum transfers satisfy first-kind scaling. Both methods yield scaling functions characterized by an asymmetric shape, although less pronounced than that of experimental scaling functions. This asymmetry, only mildly affected by final state interactions, is mostly due to nucleon-nucleon correlations, encoded in the continuum component of the hole spectral function.

A simple method for the generation of organ and vessel contours from roentgenographic or fluoroscopic images

NASA Technical Reports Server (NTRS)

Newell, J. D.; Keller, R. A.; Baily, N. A.

1974-01-01

A simple method for outlining or contouring any area defined by a change in film density or fluoroscopic screen intensity is described. The entire process, except for the positioning of an electronic window, is accomplished using a small computer having appropriate softwave. The electronic window is operator positioned over the area to be processed. The only requirement is that the window be large enough to encompass the total area to be considered.

Two mechanisms of resonance overlapping in excitation of azimuthal surface waves by rotating relativistic electron beams

NASA Astrophysics Data System (ADS)

Girka, Igor O.; Pavlenko, Ivan V.; Thumm, Manfred

2018-05-01

Azimuthal surface waves are electromagnetic eigenwaves of cylindrical plasma-filled metallic waveguides with a stationary axial magnetic field. These waves with extraordinary polarization can effectively interact with relativistic electron beams rotating along large Larmor orbits in the gap, which separates the plasma column from the waveguide wall. Both widening the layer and increasing the beam particle density are demonstrated to cause resonance overlapping seen from the perspective of the growth rate dependence on the effective wave number.

Alkaline Capacitors Based on Nitride Nanoparticles

NASA Technical Reports Server (NTRS)

Aldissi, Matt

2003-01-01

High-energy-density alkaline electrochemical capacitors based on electrodes made of transition-metal nitride nanoparticles are undergoing development. Transition- metal nitrides (in particular, Fe3N and TiN) offer a desirable combination of high electrical conductivity and electrochemical stability in aqueous alkaline electrolytes like KOH. The high energy densities of these capacitors are attributable mainly to their high capacitance densities, which, in turn, are attributable mainly to the large specific surface areas of the electrode nanoparticles. Capacitors of this type could be useful as energy-storage components in such diverse equipment as digital communication systems, implanted medical devices, computers, portable consumer electronic devices, and electric vehicles.

Dynamic kinetic energy potential for orbital-free density functional theory.

PubMed

Neuhauser, Daniel; Pistinner, Shlomo; Coomar, Arunima; Zhang, Xu; Lu, Gang

2011-04-14

A dynamic kinetic energy potential (DKEP) is developed for time-dependent orbital-free (TDOF) density function theory applications. This potential is constructed to affect only the dynamical (ω ≠ 0) response of an orbital-free electronic system. It aims at making the orbital-free simulation respond in the same way as that of a noninteracting homogenous electron gas (HEG), as required by a correct kinetic energy, therefore enabling extension of the success of orbital-free density functional theory in the static case (e.g., for embedding and description of processes in bulk materials) to dynamic processes. The potential is constructed by expansions of terms, each of which necessitates only simple time evolution (concurrent with the TDOF evolution) and a spatial convolution at each time-step. With 14 such terms a good fit is obtained to the response of the HEG at a large range of frequencies, wavevectors, and densities. The method is demonstrated for simple jellium spheres, approximating Na(9)(+) and Na(65)(+) clusters. It is applicable both to small and large (even ultralarge) excitations and the results converge (i.e., do not blow up) as a function of time. An extension to iterative frequency-resolved extraction is briefly outlined, as well as possibly numerically simpler expansions. The approach could also be extended to fit, instead of the HEG susceptibility, either an experimental susceptibility or a theoretically derived one for a non-HEG system. The DKEP potential should be a powerful tool for embedding a dynamical system described by a more accurate method (such as time-dependent density functional theory, TDDFT) in a large background described by TDOF with a DKEP potential. The type of expansions used and envisioned should be useful for other approaches, such as memory functionals in TDDFT. Finally, an appendix details the formal connection between TDOF and TDDFT.

Self-consistent implementation of meta-GGA functionals for the ONETEP linear-scaling electronic structure package.

PubMed

Womack, James C; Mardirossian, Narbe; Head-Gordon, Martin; Skylaris, Chris-Kriton

2016-11-28

Accurate and computationally efficient exchange-correlation functionals are critical to the successful application of linear-scaling density functional theory (DFT). Local and semi-local functionals of the density are naturally compatible with linear-scaling approaches, having a general form which assumes the locality of electronic interactions and which can be efficiently evaluated by numerical quadrature. Presently, the most sophisticated and flexible semi-local functionals are members of the meta-generalized-gradient approximation (meta-GGA) family, and depend upon the kinetic energy density, τ, in addition to the charge density and its gradient. In order to extend the theoretical and computational advantages of τ-dependent meta-GGA functionals to large-scale DFT calculations on thousands of atoms, we have implemented support for τ-dependent meta-GGA functionals in the ONETEP program. In this paper we lay out the theoretical innovations necessary to implement τ-dependent meta-GGA functionals within ONETEP's linear-scaling formalism. We present expressions for the gradient of the τ-dependent exchange-correlation energy, necessary for direct energy minimization. We also derive the forms of the τ-dependent exchange-correlation potential and kinetic energy density in terms of the strictly localized, self-consistently optimized orbitals used by ONETEP. To validate the numerical accuracy of our self-consistent meta-GGA implementation, we performed calculations using the B97M-V and PKZB meta-GGAs on a variety of small molecules. Using only a minimal basis set of self-consistently optimized local orbitals, we obtain energies in excellent agreement with large basis set calculations performed using other codes. Finally, to establish the linear-scaling computational cost and applicability of our approach to large-scale calculations, we present the outcome of self-consistent meta-GGA calculations on amyloid fibrils of increasing size, up to tens of thousands of atoms.

Self-consistent implementation of meta-GGA functionals for the ONETEP linear-scaling electronic structure package

NASA Astrophysics Data System (ADS)

Womack, James C.; Mardirossian, Narbe; Head-Gordon, Martin; Skylaris, Chris-Kriton

2016-11-01

Accurate and computationally efficient exchange-correlation functionals are critical to the successful application of linear-scaling density functional theory (DFT). Local and semi-local functionals of the density are naturally compatible with linear-scaling approaches, having a general form which assumes the locality of electronic interactions and which can be efficiently evaluated by numerical quadrature. Presently, the most sophisticated and flexible semi-local functionals are members of the meta-generalized-gradient approximation (meta-GGA) family, and depend upon the kinetic energy density, τ, in addition to the charge density and its gradient. In order to extend the theoretical and computational advantages of τ-dependent meta-GGA functionals to large-scale DFT calculations on thousands of atoms, we have implemented support for τ-dependent meta-GGA functionals in the ONETEP program. In this paper we lay out the theoretical innovations necessary to implement τ-dependent meta-GGA functionals within ONETEP's linear-scaling formalism. We present expressions for the gradient of the τ-dependent exchange-correlation energy, necessary for direct energy minimization. We also derive the forms of the τ-dependent exchange-correlation potential and kinetic energy density in terms of the strictly localized, self-consistently optimized orbitals used by ONETEP. To validate the numerical accuracy of our self-consistent meta-GGA implementation, we performed calculations using the B97M-V and PKZB meta-GGAs on a variety of small molecules. Using only a minimal basis set of self-consistently optimized local orbitals, we obtain energies in excellent agreement with large basis set calculations performed using other codes. Finally, to establish the linear-scaling computational cost and applicability of our approach to large-scale calculations, we present the outcome of self-consistent meta-GGA calculations on amyloid fibrils of increasing size, up to tens of thousands of atoms.

Large-Area Permanent-Magnet ECR Plasma Source

NASA Technical Reports Server (NTRS)

Foster, John E.

2007-01-01

A 40-cm-diameter plasma device has been developed as a source of ions for material-processing and ion-thruster applications. Like the device described in the immediately preceding article, this device utilizes electron cyclotron resonance (ECR) excited by microwave power in a magnetic field to generate a plasma in an electrodeless (noncontact) manner and without need for an electrically insulating, microwave-transmissive window at the source. Hence, this device offers the same advantages of electrodeless, windowless design - low contamination and long operational life. The device generates a uniform, high-density plasma capable of sustaining uniform ion-current densities at its exit plane while operating at low pressure [<10(exp -4) torr (less than about 1.3 10(exp -2) Pa)] and input power <200 W at a frequency of 2.45 GHz. Though the prototype model operates at 2.45 GHz, operation at higher frequencies can be achieved by straightforward modification to the input microwave waveguide. Higher frequency operation may be desirable in those applications that require even higher background plasma densities. In the design of this ECR plasma source, there are no cumbersome, power-hungry electromagnets. The magnetic field in this device is generated by a permanent-magnet circuit that is optimized to generate resonance surfaces. The microwave power is injected on the centerline of the device. The resulting discharge plasma jumps into a "high mode" when the input power rises above 150 W. This mode is associated with elevated plasma density and high uniformity. The large area and uniformity of the plasma and the low operating pressure are well suited for such material-processing applications as etching and deposition on large silicon wafers. The high exit-plane ion-current density makes it possible to attain a high rate of etching or deposition. The plasma potential is <3 V low enough that there is little likelihood of sputtering, which, in plasma processing, is undesired because it is associated with erosion and contamination. The electron temperature is low and does not vary appreciably with power.

Polarized Sunyaev Zel'dovich tomography

NASA Astrophysics Data System (ADS)

Deutsch, Anne-Sylvie; Johnson, Matthew C.; Münchmeyer, Moritz; Terrana, Alexandra

2018-04-01

Secondary CMB polarization is induced by the late-time scattering of CMB photons by free electrons on our past light cone. This polarized Sunyaev Zel'dovich (pSZ) effect is sensitive to the electrons' locally observed CMB quadrupole, which is sourced primarily by long wavelength inhomogeneities. By combining the remote quadrupoles measured by free electrons throughout the Universe after reionization, the pSZ effect allows us to obtain additional information about large scale modes beyond what can be learned from our own last scattering surface. Here we determine the power of pSZ tomography, in which the pSZ effect is cross-correlated with the density field binned at several redshifts, to provide information about the long wavelength Universe. The signal we explore here is a power asymmetry in the cross-correlation between E or B mode CMB polarization and the density field. We compare this to the cosmic variance limited noise: the random chance to get a power asymmetry in the absence of a large scale quadrupole field. By computing the necessary transfer functions and cross-correlations, we compute the signal-to-noise ratio attainable by idealized next generation CMB experiments and galaxy surveys. We find that a signal-to-noise ratio of ~ 1‑10 is in principle attainable over a significant range of power multipoles, with the strongest signal coming from the first multipoles in the lowest redshift bins. These results prompt further assessment of realistically measuring the pSZ signal and the potential impact for constraining cosmology on large scales.

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

DTIC Science & Technology

2016-11-01

a few nanoseconds. The challenge remains to diagnose plasmas via the free electron density in this short window of time and often in a small volume ...Free Electron Density in Laser-Produced Plasmas by Anthony R Valenzuela Approved for public release; distribution is...US Army Research Laboratory Shack-Hartmann Electron Densitometer (SHED): An Optical System for Diagnosing Free Electron Density in Laser

PbSe Nanocrystal Solids for n- and p-Channel Thin Film Field-Effect Transistors

NASA Astrophysics Data System (ADS)

Talapin, Dmitri V.; Murray, Christopher B.

2005-10-01

Initially poorly conducting PbSe nanocrystal solids (quantum dot arrays or superlattices) can be chemically ``activated'' to fabricate n- and p-channel field effect transistors with electron and hole mobilities of 0.9 and 0.2 square centimeters per volt-second, respectively; with current modulations of about 103 to 104; and with current density approaching 3 × 104 amperes per square centimeter. Chemical treatments engineer the interparticle spacing, electronic coupling, and doping while passivating electronic traps. These nanocrystal field-effect transistors allow reversible switching between n- and p-transport, providing options for complementary metal oxide semiconductor circuits and enabling a range of low-cost, large-area electronic, optoelectronic, thermoelectric, and sensing applications.

Electron transfer in a virtual quantum state of LiBH4 induced by strong optical fields and mapped by femtosecond x-ray diffraction.

PubMed

Stingl, J; Zamponi, F; Freyer, B; Woerner, M; Elsaesser, T; Borgschulte, A

2012-10-05

Transient polarizations connected with a spatial redistribution of electronic charge in a mixed quantum state are induced by optical fields of high amplitude. We determine for the first time the related transient electron density maps, applying femtosecond x-ray powder diffraction as a structure probe. The prototype ionic material LiBH4 driven nonresonantly by an intense sub-40 fs optical pulse displays a large-amplitude fully reversible electron transfer from the BH4(-) anion to the Li+ cation during excitation. Our results establish this mechanism as the source of the strong optical polarization which agrees quantitatively with theoretical estimates.

Measurements of dynamo electric field and momentum transport induced by fluctuations on HIST

NASA Astrophysics Data System (ADS)

Hirono, H.; Hanao, T.; Hyobu, T.; Ito, K.; Matsumoto, K.; Nakayama, T.; Kikuchi, Y.; Fukumoto, N.; Nagata, M.

2012-10-01

Coaxial Helicity injection (CHI) is an efficient current-drive method used in spheromak and spherical torus (ST) experiments. It is an important issue to investigate dynamo effect to explore CHI current drive mechanisms. To establish the dynamo model with two-fluid Hall effects, we verify the parallel mean-field Ohm's law balance. The spatial profiles of the MHD/Hall dynamo electric fields are measured by using Mach probe and Hall probe involving 3-axis magnetic pick-up coils. The MHD/Hall fluctuation-induced electromotive forces are large enough to sustain the mean toroidal current against the resistive decay. We have measured the electron temperature and the density with great accuracy by using a new electrostatic probe with voltage sweeping. The result shows that the electron temperature is high in the core region and low in the central open flux column (OFC), and the electron density is highest in the OFC region. The Hall dynamo becomes more dominant in a lower density region compared to the MHD dynamo. In addition, the fluctuation-induced Maxwell and Reynolds stresses are calculated to examine the fast radial transport of momentum from the OFC to the core region during the dynamo drive.

Accounting for intra-molecular vibrational modes in open quantum system description of molecular systems.

PubMed

Roden, Jan; Strunz, Walter T; Whaley, K Birgitta; Eisfeld, Alexander

2012-11-28

Electronic-vibrational dynamics in molecular systems that interact with an environment involve a large number of degrees of freedom and are therefore often described by means of open quantum system approaches. A popular approach is to include only the electronic degrees of freedom into the system part and to couple these to a non-Markovian bath of harmonic vibrational modes that is characterized by a spectral density. Since this bath represents both intra-molecular and external vibrations, it is important to understand how to construct a spectral density that accounts for intra-molecular vibrational modes that couple further to other modes. Here, we address this problem by explicitly incorporating an intra-molecular vibrational mode together with the electronic degrees of freedom into the system part and using the Fano theory for a resonance coupled to a continuum to derive an "effective" bath spectral density, which describes the contribution of intra-molecular modes. We compare this effective model for the intra-molecular mode with the method of pseudomodes, a widely used approach in simulation of non-Markovian dynamics. We clarify the difference between these two approaches and demonstrate that the respective resulting dynamics and optical spectra can be very different.

Structural, thermodynamic, and electronic properties of Laves-phase NbMn2 from first principles, x-ray diffraction, and calorimetric experiments

NASA Astrophysics Data System (ADS)

Yan, X.; Chen, Xing-Qiu; Michor, H.; Wolf, W.; Witusiewicz, V. T.; Bauer, E.; Podloucky, R.; Rogl, P.

2018-03-01

By combining theoretical density functional theory (DFT) and experimental studies, structural and magnetic phase stabilities and electronic structural, elastic, and vibrational properties of the Laves-phase compound NbMn2 have been investigated for the C14, C15, and C36 crystal structures. At low temperatures C14 is the ground-state structure, with ferromagnetic and antiferromagnetic orderings being degenerate in energy. The degenerate spin configurations result in a rather large electronic density of states at Fermi energy for all magnetic cases, even for the spin-polarized DFT calculations. Based on the DFT-derived phonon dispersions and densities of states, temperature-dependent free energies were derived for the ferromagnetic and antiferromagnetic C14 phase, demonstrating that the spin-configuration degeneracy possibly exists up to finite temperatures. The heat of formation Δ298H0=-45.05 ±3.64 kJ (molf .u .NbMn2) -1 was extracted from drop isoperibolic calorimetry in a Ni bath. The DFT-derived enthalpy of formation of NbMn2 is in good agreement with the calorimetric measurements. Second-order elastic constants for NbMn2 as well as for related compounds were calculated.

The origin of anisotropy and high density of states in the electronic structure of Cr2GeC by means of polarized soft x-ray spectroscopy and ab initio calculations

NASA Astrophysics Data System (ADS)

Magnuson, Martin; Mattesini, Maurizio; Bugnet, Matthieu; Eklund, Per

2015-10-01

The anisotropy in the electronic structure of the inherently nanolaminated ternary phase Cr2GeC is investigated by bulk-sensitive and element selective soft x-ray absorption/emission spectroscopy. The angle-resolved absorption/emission measurements reveal differences between the in-plane and out-of-plane bonding at the (0001) interfaces of Cr2GeC. The Cr L 2, 3, C K, and Ge M 1, M 2, 3 emission spectra are interpreted with first-principles density-functional theory (DFT) including core-to-valence dipole transition matrix elements. For the Ge 4s states, the x-ray emission measurements reveal two orders of magnitude higher intensity at the Fermi level than DFT within the General Gradient Approximation (GGA) predicts. We provide direct evidence of anisotropy in the electronic structure and the orbital occupation that should affect the thermal expansion coefficient and transport properties. As shown in this work, hybridization and redistribution of intensity from the shallow 3d core levels to the 4s valence band explain the large Ge density of states at the Fermi level.

The origin of anisotropy and high density of states in the electronic structure of Cr2GeC by means of polarized soft x-ray spectroscopy and ab initio calculations.

PubMed

Magnuson, Martin; Mattesini, Maurizio; Bugnet, Matthieu; Eklund, Per

2015-10-21

The anisotropy in the electronic structure of the inherently nanolaminated ternary phase Cr2GeC is investigated by bulk-sensitive and element selective soft x-ray absorption/emission spectroscopy. The angle-resolved absorption/emission measurements reveal differences between the in-plane and out-of-plane bonding at the (0001) interfaces of Cr2GeC. The Cr L(2, 3), C K, and Ge M1, M(2, 3) emission spectra are interpreted with first-principles density-functional theory (DFT) including core-to-valence dipole transition matrix elements. For the Ge 4s states, the x-ray emission measurements reveal two orders of magnitude higher intensity at the Fermi level than DFT within the General Gradient Approximation (GGA) predicts. We provide direct evidence of anisotropy in the electronic structure and the orbital occupation that should affect the thermal expansion coefficient and transport properties. As shown in this work, hybridization and redistribution of intensity from the shallow 3d core levels to the 4s valence band explain the large Ge density of states at the Fermi level.

Magnetic field, reconnection, and particle acceleration in extragalactic jets

NASA Technical Reports Server (NTRS)

Romanova, M. M.; Lovelace, R. V. E.

1992-01-01

Extra-galactic radio jets are investigated theoretically taking into account that the jet magnetic field is dragged out from the central rotating source by the jet flow. Thus, magnetohydrodynamic models of jets are considered with zero net poloidal current and flux, and consequently a predominantly toroidal magnetic field. The magnetic field naturally has a cylindrical neutral layer. Collisionless reconnection of the magnetic field in the vicinity of the neutral layer acts to generate a non-axisymmetric radial magnetic field. In turn, axial shear-stretching of reconnected toroidal field gives rise to a significant axial magnetic field if the flow energy-density is larger than the energy-density of the magnetic field. This can lead to jets with an apparent longitudinal magnetic field as observed in the Fanaroff-Riley class II jets. In the opposite limit, where the field energy-density is large, the field remains mainly toroidal as observed in Fanaroff-Riley class I jets. Driven collisionless reconnection at neutral layers may lead to acceleration of electrons to relativistic energies in the weak electrostatic field of the neutral layer. A simple model is discussed for particle acceleration at neutral layers in electron/positron and electron/proton plasmas.

Electron dynamics in high energy density plasma bunch generation driven by intense picosecond laser pulse

NASA Astrophysics Data System (ADS)

Li, M.; Yuan, T.; Xu, Y. X.; Luo, S. N.

2018-05-01

When an intense picosecond laser pulse is loaded upon a dense plasma, a high energy density plasma bunch, including electron bunch and ion bunch, can be generated in the target. We simulate this process through one-dimensional particle-in-cell simulation and find that the electron bunch generation is mainly due to a local high energy density electron sphere originated in the plasma skin layer. Once generated the sphere rapidly expands to compress the surrounding electrons and induce high density electron layer, coupled with that, hot electrons are efficiently triggered in the local sphere and traveling in the whole target. Under the compressions of light pressure, forward-running and backward-running hot electrons, a high energy density electron bunch generates. The bunch energy density is as high as TJ/m3 order of magnitude in our conditions, which is significant in laser driven dynamic high pressure generation and may find applications in high energy density physics.

Layout and results from the initial operation of the high-resolution x-ray imaging crystal spectrometer on the Large Helical Device.

PubMed

Pablant, N A; Bitter, M; Delgado-Aparicio, L; Goto, M; Hill, K W; Lazerson, S; Morita, S; Roquemore, A L; Gates, D; Monticello, D; Nielson, H; Reiman, A; Reinke, M; Rice, J E; Yamada, H

2012-08-01

First results of ion and electron temperature profile measurements from the x-ray imaging crystal spectrometer (XICS) diagnostic on the Large Helical Device (LHD) are presented. This diagnostic system has been operational since the beginning of the 2011 LHD experimental campaign and is the first application of the XICS diagnostic technique to helical plasma geometry. The XICS diagnostic provides measurements of ion and electron temperature profiles in LHD with a spatial resolution of 2 cm and a maximum time resolution of 5 ms (typically 20 ms). Ion temperature profiles from the XICS diagnostic are possible under conditions where charge exchange recombination spectroscopy (CXRS) is not possible (high density) or is perturbative to the plasma (low density or radio frequency heated plasmas). Measurements are made by using a spherically bent crystal to provide a spectrally resolved 1D image of the plasma from line integrated emission of helium-like Ar(16 +). The final hardware design and configuration are detailed along with the calibration procedures. Line-integrated ion and electron temperature measurements are presented, and the measurement accuracy is discussed. Finally central temperature measurements from the XICS system are compared to measurements from the Thomson scattering and CXRS systems, showing excellent agreement.

Atomic-scale distortions and temperature-dependent large pseudogap in thin films of the parent iron-chalcogenide superconductor Fe1+y Te

NASA Astrophysics Data System (ADS)

Gerbi, Andrea; Buzio, Renato; Kawale, Shrikant; Bellingeri, Emilio; Martinelli, Alberto; Bernini, Cristina; Tresca, Cesare; Capone, Massimo; Profeta, Gianni; Ferdeghini, Carlo

2017-12-01

We investigate with scanning tunneling microscopy/spectroscopy (STM/STS) and density functional theory (DFT) calculations the surface structures and the electronic properties of Fe1+y Te thin films grown by pulsed laser deposition. Contrary to the regular arrangement of antiferromagnetic nanostripes previously reported on cleaved single-crystal samples, the surface of Fe1+y Te thin films displays a peculiar distribution of spatially inhomogeneous nanostripes. Both STM and DFT calculations show the bias-dependent nature of such features and support the interpretation of spin-polarized tunneling between the FeTe surface and an unintentionally magnetized tip. In addition, the spatial inhomogeneity is interpreted as a purely electronic effect related to changes in hybridization and Fe-Fe bond length driven by local variations in the concentration of excess interstitial Fe cations. Unexpectedly, the surface density of states measured by STS strongly evolves with temperature in close proximity to the antiferromagnetic-paramagnetic first-order transition, and reveals a large pseudogap of 180-250 meV at about 50-65 K. We believe that in this temperature range a phase transition takes place, and the system orders and locks into particular combinations of orbitals and spins because of the interplay between excess interstitial magnetic Fe and strongly correlated d-electrons.

Few layered vanadyl phosphate nano sheets-MWCNT hybrid as an electrode material for supercapacitor application

NASA Astrophysics Data System (ADS)

Dutta, Shibsankar; De, Sukanta

2016-05-01

It have been already seen that 2-dimensional nano materials are the suitable choice for the supercapacitor application due to their large specific surface area, electrochemical active sites, micromechanical flexibility, expedite ion migration channel properties. Free standing hybrid films of functionalized MWCNT (- COOH group) and α-Vanadyl phosphates (VOPO42H2O) are prepared by vacuum filtering. The surface morphology and microstructure of the samples are studied by transmission electron microscope, field emission scanning electron microscope, XRD, Electrochemical properties of hybrid films have been investigated systematically in 1M Na2SO4 aqueous electrolyte. The hybrid material exhibits a high specific capacitance 236 F/g with high energy density of 65.6 Wh/Kg and a power density of 1476 W/Kg.

Strides made in understanding space weather at Earth

NASA Astrophysics Data System (ADS)

Buonsanto, M. J.; Fuller-Rowell, T. J.

Disturbances on the Sun can produce dramatic effects in the space environment surrounding the Earth. Energetic particle effects become more intense and pose a hazard to astronauts and damage spacecraft electronics; satellite lifetimes are shortened by increased atmospheric drag, and communications and navigation are disrupted by the changing plasma environment.“Space weather” has become the modern idiom for these effects, and periods of high activity are called geomagnetic storms. During a storm the ionosphere can be severely altered. A typical episode may reveal either a large decrease (negative phase) or increase (positive phase) in the normal daily peak ion density (NmF2) or total electron content (TEC). These changes in ion density are sometimes called ionospheric storms, and often persist for more than a day after a period of high geomagnetic activity.

Joint density-functional theory and its application to systems in solution

NASA Astrophysics Data System (ADS)

Petrosyan, Sahak A.

The physics of solvation, the interaction of water with solutes, plays a central role in chemistry and biochemistry, and it is essential for the very existence of life. Despite the central importance of water and the advent of the quantum theory early in the twentieth century, the link between the fundamental laws of physics and the observable properties of water remain poorly understood to this day. The central goal of this thesis is to develop a new formalism and framework to make the study of systems (solutes or surfaces) in contact with liquid water as practical and accurate as standard electronic structure calculations without the need for explicit averaging over large ensembles of configurations of water molecules. The thesis introduces a new form of density functional theory for the ab initio description of electronic systems in contact with a molecular liquid environment. This theory rigorously joins an electron density-functional for the electrons of a solute with a classical density-functional theory for the liquid into a single variational principle for the free energy of the combined system. Using the new form of density-functional theory for the ab initio description of electronic systems in contact with a molecular liquid environment, the thesis then presents the first detailed study of the impact of a solvent on the surface chemistry of Cr2O3, the passivating layer of stainless steel alloys. In comparison to a vacuum, we predict that the presence of water has little impact on the adsorption of chloride ions to the oxygen-terminated surface but has a dramatic effect on the binding of hydrogen to that surface. A key ingredient of a successful joint density functional theory is a good approximate functional for describing the solvent. We explore how the simplest examples of the best known class of approximate forms for the classical density functional fail when applied directly to water. The thesis then presents a computationally efficient density-functional theory for water which overcomes this difficulty and gives reasonable agreement with molecular dynamics simulation data for the solvation of hard spheres in water and sufficient agreement with experimental data for hydration of inert gas atoms to justify its use in a joint theory with standard approximate density functionals used in electronic structure calculations. The last study in the thesis combines the previous ideas and presenting an approximate model density functional which includes a description of cavitation effects through a classical density-functional theory; a description of dielectric effects through a non-local polarizability, and a description of the coupling of the solvent to the electrons of the solute through a pseudopotential. Without any empirical fitting of parameters to solvation data, this theory predicts solvation energies at least as well as state-of-the-art quantum-chemical cavity approaches, which do employ such fitting. Although this agreement without adjustable parameters is very encouraging and shows the promise of the joint density-functional approach, the functionals which we develop here are models and do not yet include all of the microscopic physics. The thesis concludes with a description of the directions future work should take to address this weakness.

Experiments on Electron-Plasma Vortex Motion Driven by a Background Vorticity Gradient.

NASA Astrophysics Data System (ADS)

Kabantsev, A. A.; Driscoll, C. F.

2000-10-01

The interaction of self-trapped vortices with a background vorticity gradient plays an important role in 2D hydrodynamics, including various aspects of relaxation and self-organization of 2D turbulence. In the present experiments, electron plasma columns with monotonically decreasing density profiles provide a vorticity background with (negative) shear in the rotational flow. Clumps of extra electrons are then retrograde vortices, rotating against the background shear; and regions with a deficit of electrons (holes) are prograde vortices. Theory predicts that clumps move up the background gradient, and holes move down the gradient, with velocities which depend differently on the ratio of the vortex trapping length to vortex radius, l / r_v. The present experiments show quantitative agreement with recent theory and simulations,(D.A. Schecter and D.H.E. Dubin, Phys. Rev. Lett. 83), 2191 (1999). for the accessible regime of 0.2 < l/rv < 2. The experiments also show that moving clumps leave a spiral density wake, and that instability of these wakes results in a large number of long-lived holes.

Development of SiC Large Tapered Crystal Growth

NASA Technical Reports Server (NTRS)

Neudeck, Phil

2010-01-01

Majority of very large potential benefits of wide band gap semiconductor power electronics have NOT been realized due in large part to high cost and high defect density of commercial wafers. Despite 20 years of development, present SiC wafer growth approach is yet to deliver majority of SiC's inherent performance and cost benefits to power systems. Commercial SiC power devices are significantly de-rated in order to function reliably due to the adverse effects of SiC crystal dislocation defects (thousands per sq cm) in the SiC wafer.

Rashba effect and beating patterns in the THz magneto-photoresponse of a HgTe-based two-dimensional electron gas

NASA Astrophysics Data System (ADS)

Pakmehr, Mehdi; Bruene, Christoph; Buhmann, Hartmut; Molenkamp, Laurens; McCombe, Bruce

2015-03-01

HgTe quantum wells with a gapped single Dirac cone electronic dispersion relation have been investigated by THz magneto-photoresponse (PR) and magneto-transport measurements. The HgTe has the conventional band alignment at well thickness of 6.1 nm, slightly smaller than the critical thickness for the topological phase transition. The effective gap is roughly 10 meV, and the large sheet density of electrons (nS ~ 1 . 5 × 1012 cm-2) results in a very large Fermi energy (EF ~ 160 meV). We have found several interesting effects at these high densities. We focus here on an observed beating of quantum oscillations in the PR signal (at 1.83 THz) and compare it with direct measurements of oscillations in the longitudinal magneto-resistance (Rxx). The mechanism for the PR is cyclotron resonance absorption heating of the electrons (an electron bolometric effect). We attribute the beating to Rashba splitting of the spin states, which is barely observable in direct Rxx measurements even under strong gate-induced electric fields. We will discuss the origin of the enhanced visibility of the Rashba effect in the PR and the magnitude of the Rashba coefficient (αR) from these data. The work at UB was supported by NSF-MWN 1008138 and by the Office of the Provost. The work in Würzburg was supported by the DARPA MESO project through the Contract Number N66001-11-1-4105, by the German Research Foundation (DFG Grant HA5893/4-1).

Large bipolarons and oxide superconductivity

NASA Astrophysics Data System (ADS)

Emin, David

2017-02-01

Large-bipolaron superconductivity is plausible with carrier densities well below those of conventional metals. Bipolarons form when carriers self-trap in pairs. Coherently moving large-bipolarons require extremely large ratios of static to optical dielectric-constants. The mutual Coulomb repulsion of a planar large-bipolaron's paired carriers drives it to a four-lobed shape. A phonon-mediated attraction among large-bipolarons propels their condensation into a liquid. This liquid's excitations move slowly with a huge effective mass. Excitations' concomitant weak scattering by phonons produces a moderate low-temperature dc resistivity that increases linearly with rising temperature. With falling temperature an energy gap opens between large-bipolarons' excitations and those of their self-trapped electronic carriers.

Filamentation of plasma in the auroral region by an ion-ion instability: A process for the formation of bidimensional potential structures

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

Mottez, F.; Chanteur, G.; Roux, A.

1992-07-01

A two-dimensional, explicit, electrostatic particle code is used to investigate the nonlinear behavior of electrostatic ion waves generated by an ion beam flowing through a thermal ion and electron background in a strongly magnetized plasma ({omega}{sub ce} {much gt} {omega}{sub pe} where {omega}{sub ce} and {omega}{sub pe} are the electron gyrofrequency and the plasma frequency). To follow the nonlinear evolution of these ions waves, a long-lasting simulation is run with a large simulation grid: 128 {times} 512{lambda}{sub d}. Beam ions are shown to generate oblique waves. The nonlinear beatings between these oblique waves produce purely transverse waves, which leads tomore » a strong modulation of the density and of the electric potential in a direction transverse to the magnetic field. The transverse scale of these essentially field-aligned filaments is L{sub {perpendicular}} = 10 {rho}{sub i} where {rho}{sub i} is the ion Larmor radius of beam ions. Within these filaments, relatively stable field-aligned density and potential structures develop. The typical size, along the magnetic field, of these structures is L{sub {parallel}} = 10 {lambda}{sub d}, the density is modulated by 30%, and the electric potential is as large as T{sub e} within these structures. Unlike the potential structures that develop in a two-component plasma with downgoing electrons, these structures move upward. These characteristics are in good agreement with the weak double layers recently detected by Viking.« less

Full PIC simulations of solar radio emission

NASA Astrophysics Data System (ADS)

Sgattoni, A.; Henri, P.; Briand, C.; Amiranoff, F.; Riconda, C.

2017-12-01

Solar radio emissions are electromagnetic (EM) waves emitted in the solar wind plasma as a consequence of electron beams accelerated during solar flares or interplanetary shocks such as ICMEs. To describe their origin, a multi-stage model has been proposed in the 60s which considers a succession of non-linear three-wave interaction processes. A good understanding of the process would allow to infer the kinetic energy transfered from the electron beam to EM waves, so that the radio waves recorded by spacecraft can be used as a diagnostic for the electron beam.Even if the electrostatic problem has been extensively studied, full electromagnetic simulations were attempted only recently. Our large scale 2D-3V electromagnetic PIC simulations allow to identify the generation of both electrostatic and EM waves originated by the succession of plasma instabilities. We tested several configurations varying the electron beam density and velocity considering a background plasma of uniform density. For all the tested configurations approximately 105 of the electron-beam kinetic energy is transfered into EM waves emitted in all direction nearly isotropically. With this work we aim to design experiments of laboratory astrophysics to reproduce the electromagnetic emission process and test its efficiency.

Implications of electron heating and non-uniformities in a VHF-CCP for sterilization of medical instruments

NASA Astrophysics Data System (ADS)

Stapelmann, Katharina; Fiebrandt, Marcel; Styrnoll, Tim; Baldus, Sabrina; Bibinov, Nikita; Awakowicz, Peter

2015-06-01

A capacitively coupled plasma driven at a frequency of 81.36 MHz from the VHF-band is investigated by means of optical emission spectroscopy (OES) and multipole resonance probe (MRP). The discharge is operated with hydrogen, yielding an electropositive discharge, as well as oxygen, yielding an electronegative discharge, and mixtures of both. Pressure is varied from p=5 Pa to p=25 Pa. Homogeneity of the discharge is investigated by CCD camera recordings as well as spatially resolved multipole resonance probe measurements. The results indicate the presence of electromagnetic edge effects as well as standing wave effects. Furthermore, a largely homogeneous discharge can be achieved with hydrogen as process gas at a pressure of p=5 -10 Pa. With increasing pressure as well as with increasing oxygen content, the discharge appears less homogeneously. The transition from an electropositive to an electronegative discharge leads to a change in electron heating mechanisms, with pronounced local maxima of electron density at the sheath edges. A comparison of OES and MRP results reveal a significant difference in electron density, which can be explained by a non-Maxwellian distribution function of electrons.

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

2017-12-15

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.

Theoretical modeling of the plasma-assisted catalytic growth and field emission properties of graphene sheet

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

Sharma, Suresh C.; Gupta, Neha

2015-12-15

A theoretical modeling for the catalyst-assisted growth of graphene sheet in the presence of plasma has been investigated. It is observed that the plasma parameters can strongly affect the growth and field emission properties of graphene sheet. The model developed accounts for the charging rate of the graphene sheet; number density of electrons, ions, and neutral atoms; various elementary processes on the surface of the catalyst nanoparticle; surface diffusion and accretion of ions; and formation of carbon-clusters and large graphene islands. In our investigation, it is found that the thickness of the graphene sheet decreases with the plasma parameters, numbermore » density of hydrogen ions and RF power, and consequently, the field emission of electrons from the graphene sheet surface increases. The time evolution of the height of graphene sheet with ion density and sticking coefficient of carbon species has also been examined. Some of our theoretical results are in compliance with the experimental observations.« less

Plasma-Assisted Atomic Layer Deposition of High-Density Ni Nanoparticles for Amorphous In-Ga-Zn-O Thin Film Transistor Memory

NASA Astrophysics Data System (ADS)

Qian, Shi-Bing; Wang, Yong-Ping; Shao, Yan; Liu, Wen-Jun; Ding, Shi-Jin

2017-02-01

For the first time, the growth of Ni nanoparticles (NPs) was explored by plasma-assisted atomic layer deposition (ALD) technique using NiCp2 and NH3 precursors. Influences of substrate temperature and deposition cycles on ALD Ni NPs were studied by field emission scanning electron microscope and X-ray photoelectron spectroscopy. By optimizing the process parameters, high-density and uniform Ni NPs were achieved in the case of 280 °C substrate temperature and 50 deposition cycles, exhibiting a density of 1.5 × 1012 cm-2 and a small size of 3 4 nm. Further, the above Ni NPs were used as charge storage medium of amorphous indium-gallium-zinc oxide (a-IGZO) thin film transistor (TFT) memory, demonstrating a high storage capacity for electrons. In particular, the nonvolatile memory exhibited an excellent programming characteristic, e.g., a large threshold voltage shift of 8.03 V was obtained after being programmed at 17 V for 5 ms.

Polyaniline modified graphene and carbon nanotube composite electrode for asymmetric supercapacitors of high energy density

NASA Astrophysics Data System (ADS)

Cheng, Qian; Tang, Jie; Shinya, Norio; Qin, Lu-Chang

2013-11-01

Graphene and single-walled carbon nanotube (CNT) composites are explored as the electrodes for supercapacitors by coating polyaniline (PANI) nano-cones onto the graphene/CNT composite to obtain graphene/CNT-PANI composite electrode. The graphene/CNT-PANI electrode is assembled with a graphene/CNT electrode into an asymmetric pseudocapacitor and a highest energy density of 188 Wh kg-1 and maximum power density of 200 kW kg-1 are achieved. The structure and morphology of the graphene/CNT composite and the PANI nano-cone coatings are characterized by both scanning electron microscopy and transmission electron microscopy. The excellent performance of the assembled supercapacitors is also discussed and it is attributed to (i) effective utilization of the large surface area of the three-dimensional network structure of graphene-based composite, (ii) the presence of CNT in the composite preventing graphene from re-stacking, and (ii) uniform and vertically aligned PANI coating on graphene offering increased electrical conductivity.

Electronic structure of the alkyne-bridged dicobalt hexacarbonyl complex Co(2) micro-C(2)H(2) (CO)(6): evidence for singlet diradical character and implications for metal-metal bonding.

PubMed

Platts, James A; Evans, Gareth J S; Coogan, Michael P; Overgaard, Jacob

2007-08-06

A series of ab initio calculations are presented on the alkyne-bridged dicobalt hexacarbonyl cluster Co2 micro-C2H2 (CO)6, indicating that this compound has substantial multireference character, which we interpret as evidence of singlet diradical behavior. As a result, standard theoretical methods such as restricted Hartree-Fock (RHF) or Kohn-Sham (RKS) density functional theory cannot properly describe this compound. We have therefore used complete active space (CAS) methods to explore the bonding in and spectroscopic properties of Co2 micro-C2H2 (CO)6. CAS methods identify significant population of a Co-Co antibonding orbital, along with Co-pi* back-bonding, and a relatively large singlet-triplet energy splitting. Analysis of the electron density and related quantities, such as energy densities and atomic overlaps, indicates a small but significant amount of covalent bonding between cobalt centers.

Experimental study of a free turbulent shear flow at Mach 19 with electron-beam and conventional probes. [flow measurement

NASA Technical Reports Server (NTRS)

Harvey, W. P.; Hunter, W. D., Jr.

1975-01-01

An experimental study of the initial development region of a hypersonic turbulent free mixing layer was made. Data were obtained at three stations downstream of a M = 19 nozzle over a Reynolds range of 1.3 million to 3.3 million per meter and at a total temperature of about 1670 K. In general, good agreement was obtained between electron-beam and conventional probe measurements of local mean flow parameters. Measurements of fluctuating density indicated that peak root-mean-square (rms) levels are higher in the turbulent free mixing layer than in boundary layers for Mach numbers less than 9. The intensity of rms density fluctuations in the free stream is similar in magnitude to pressure fluctuations in high Mach number flows. Spectrum analyses of the measured fluctuating density through the shear layer indicate significant fluctuation energy at the lower frequencies (0.2 to 5 kHZ) which correspond to large-scale disturbances in the high-velocity region of the shear layer.

Three-dimensional structure of basal body triplet revealed by electron cryo-tomography

PubMed Central

Li, Sam; Fernandez, Jose-Jesus; Marshall, Wallace F; Agard, David A

2012-01-01

Basal bodies and centrioles play central roles in microtubule (MT)-organizing centres within many eukaryotes. They share a barrel-shaped cylindrical structure composed of nine MT triplet blades. Here, we report the structure of the basal body triplet at 33 Å resolution obtained by electron cryo-tomography and 3D subtomogram averaging. By fitting the atomic structure of tubulin into the EM density, we built a pseudo-atomic model of the tubulin protofilaments at the core of the triplet. The 3D density map reveals additional densities that represent non-tubulin proteins attached to the triplet, including a large inner circular structure in the basal body lumen, which functions as a scaffold to stabilize the entire basal body barrel. We found clear longitudinal structural variations along the basal body, suggesting a sequential and coordinated assembly mechanism. We propose a model in which δ-tubulin and other components participate in the assembly of the basal body. PMID:22157822

An open library of relativistic core electron density function for the QTAIM analysis with pseudopotentials.

PubMed

Zou, Wenli; Cai, Ziyu; Wang, Jiankang; Xin, Kunyu

2018-04-29

Based on two-component relativistic atomic calculations, a free electron density function (EDF) library has been developed for nearly all the known ECPs of the elements Li (Z = 3) up to Ubn (Z = 120), which can be interfaced into modern quantum chemistry programs to save the .wfx wavefunction file. The applicability of this EDF library is demonstrated by the analyses of the quantum theory of atoms in molecules (QTAIM) and other real space functions on HeCuF, PtO42+, OgF 4 , and TlCl 3 (DMSO) 2 . When a large-core ECP is used, it shows that the corrections by EDF may significantly improve the properties of some density-derived real space functions, but they are invalid for the wavefunction-depending real space functions. To classify different chemical bonds and especially some nonclassical interactions, a list of universal criteria has also been proposed. © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.

Nonlocal kinetic energy functional from the jellium-with-gap model: Applications to orbital-free density functional theory

NASA Astrophysics Data System (ADS)

Constantin, Lucian A.; Fabiano, Eduardo; Della Sala, Fabio

2018-05-01

Orbital-free density functional theory (OF-DFT) promises to describe the electronic structure of very large quantum systems, being its computational cost linear with the system size. However, the OF-DFT accuracy strongly depends on the approximation made for the kinetic energy (KE) functional. To date, the most accurate KE functionals are nonlocal functionals based on the linear-response kernel of the homogeneous electron gas, i.e., the jellium model. Here, we use the linear-response kernel of the jellium-with-gap model to construct a simple nonlocal KE functional (named KGAP) which depends on the band-gap energy. In the limit of vanishing energy gap (i.e., in the case of metals), the KGAP is equivalent to the Smargiassi-Madden (SM) functional, which is accurate for metals. For a series of semiconductors (with different energy gaps), the KGAP performs much better than SM, and results are close to the state-of-the-art functionals with sophisticated density-dependent kernels.

A high-mobility electronic system at an electrolyte-gated oxide surface

DOE PAGES

Gallagher, Patrick; Lee, Menyoung; Petach, Trevor A.; ...

2015-03-12

Electrolyte gating is a powerful technique for accumulating large carrier densities at a surface. Yet this approach suffers from significant sources of disorder: electrochemical reactions can damage or alter the sample, and the ions of the electrolyte and various dissolved contaminants sit Angstroms from the electron system. Accordingly, electrolyte gating is well suited to studies of superconductivity and other phenomena robust to disorder, but of limited use when reactions or disorder must be avoided. Here we demonstrate that these limitations can be overcome by protecting the sample with a chemically inert, atomically smooth sheet of hexagonal boron nitride. We illustratemore » our technique with electrolyte-gated strontium titanate, whose mobility when protected with boron nitride improves more than 10-fold while achieving carrier densities nearing 10 14 cm –2. In conclusion, our technique is portable to other materials, and should enable future studies where high carrier density modulation is required but electrochemical reactions and surface disorder must be minimized.« less

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

Chen, Zhuoyu; Yuan, Hongtao; Xie, Yanwu

Carrier density and disorder are two crucial parameters that control the properties of correlated two-dimensional electron systems. Furthermore, in order to disentangle their individual contributions to quantum phenomena, independent tuning of these two parameters is required. By utilizing a hybrid liquid/solid electric dual-gate geometry acting on the conducting LaAlO 3/SrTiO 3 heterointerface, we obtain an additional degree of freedom to strongly modify the electron confinement profile and thus the strength of interfacial scattering, independent from the carrier density. A dual-gate controlled nonlinear Hall effect is a direct manifestation of this profile, which can be quantitatively understood by a Poisson–Schrödinger sub-bandmore » model. In particular, the large nonlinear dielectric response of SrTiO 3 enables a very wide range of tunable density and disorder, far beyond that for conventional semiconductors. This study provides a broad framework for understanding various reported phenomena at the LaAlO 3/SrTiO 3 interface.« less

A study of the cleft region using synoptic ionospheric plasma data obtained by the polar orbiting satellites Aeros-B and Isis-2

NASA Technical Reports Server (NTRS)

Kist, R.; Klumpar, D.

1980-01-01

The concentrations of O(+) and NO(+) in the dayside high-latitude cleft region of the ionosphere are investigated based on synoptic particle and plasma measurements obtained by the polar orbiting Aeros-B and Isis-2 satellites. At a time when the orbital planes of the satellites are almost at right angles to each other, three maxima in ion temperature are observed, with two of them accompanied by an increased electron temperature and electron density irregularities, and the density of the molecular ions NO(+) and O2(+) is found to increase at the expense of O(+) density. Results are discussed in terms of a theory relating perpendicular electric fields to oxygen atom reaction rates. Systematic analysis of the Aeros data base reveals 14 additional instances of O(+) to NO(+) conversion, with a large variety of forms and structures reflecting the complex structure and dynamics of the high-latitude dayside ionosphere.

Carrier Density Modulation in Ge Heterostructure by Ferroelectric Switching

DOE PAGES

Ponath, Patrick; Fredrickson, Kurt; Posadas, Agham B.; ...

2015-01-14

The development of nonvolatile logic through direct coupling of spontaneous ferroelectric polarization with semiconductor charge carriers is nontrivial, with many issues, including epitaxial ferroelectric growth, demonstration of ferroelectric switching, and measurable semiconductor modulation. Here we report a true ferroelectric field effect carrier density modulation in an underlying Ge(001) substrate by switching of the ferroelectric polarization in the epitaxial c-axis-oriented BaTiO3 (BTO) grown by molecular beam epitaxy (MBE) on Ge. Using density functional theory, we demonstrate that switching of BTO polarization results in a large electric potential change in Ge. Aberration-corrected electron microscopy confirms the interface sharpness, and BTO tetragonality. Electron-energy-lossmore » spectroscopy (EELS) indicates the absence of any low permittivity interlayer at the interface with Ge. Using piezoelectric force microscopy (PFM), we confirm the presence of fully switchable, stable ferroelectric polarization in BTO that appears to be single domain. Using microwave impedance microscopy (MIM), we clearly demonstrate a ferroelectric field effect.« less

Self-consistent Model of Magnetospheric Electric Field, RC and EMIC Waves

NASA Technical Reports Server (NTRS)

Gamayunov, K. V.; Khazanov, G. V.; Liemohn, M. W.; Fok, M.-C.

2007-01-01

Electromagnetic ion cyclotron (EMIC) waves are an important magnetospheric emission, which is excited near the magnetic equator with frequencies below the proton gyro-frequency. The source of bee energy for wave growth is provided by temperature anisotropy of ring current (RC) ions, which develops naturally during inward convection from the plasma sheet These waves strongly affect the dynamic s of resonant RC ions, thermal electrons and ions, and the outer radiation belt relativistic electrons, leading to non-adiabatic particle heating and/or pitch-angle scattering and loss to the atmosphere. The rate of ion and electron scattering/heating is strongly controlled by the Wave power spectral and spatial distributions, but unfortunately, the currently available observational information regarding EMIC wave power spectral density is poor. So combinations of reliable data and theoretical models should be utilized in order to obtain the power spectral density of EMIC waves over the entire magnetosphere throughout the different storm phases. In this study, we present the simulation results, which are based on two coupled RC models that our group has developed. The first model deals with the large-scale magnetosphere-ionosphere electrodynamic coupling, and provides a self-consistent description of RC ions/electrons and the magnetospheric electric field. The second model is based on a coupled system of two kinetic equations, one equation describes the RC ion dynamics and another equation describes the power spectral density evolution of EMIC waves, and self-consistently treats a micro-scale electrodynamic coupling of RC and EMIC waves. So far, these two models have been applied independently. However, the large-scale magnetosphere-ionosphere electrodynamics controls the convective patterns of both the RC ions and plasmasphere altering conditions for EMIC wave-particle interaction. In turn, the wave induced RC precipitation Changes the local field-aligned current distributions and the ionospheric conductances, which are crucial for a large-scale electrodynamics. The initial results from this new self-consistent model of the magnetospheric electric field, RC and EMIC waves will be shown in this presentation.

Electrode architectures for efficient electronic and ionic transport pathways in high power lithium ion batteries

NASA Astrophysics Data System (ADS)

Faulkner, Ankita Shah

As the demand for clean energy sources increases, large investments have supported R&D programs aimed at developing high power lithium ion batteries for electric vehicles, military, grid storage and space applications. State of the art lithium ion technology cannot meet power demands for these applications due to high internal resistances in the cell. These resistances are mainly comprised of ionic and electronic resistance in the electrode and electrolyte. Recently, much attention has been focused on the use of nanoscale lithium ion active materials on the premise that these materials shorten the diffusion length of lithium ions and increase the surface area for electrochemical charge transfer. While, nanomaterials have allowed significant improvements in the power density of the cell, they are not a complete solution for commercial batteries. Due to their large surface area, they introduce new challenges such as a poor electrode packing densities, high electrolyte reactivity, and expensive synthesis procedures. Since greater than 70% of the cost of the electric vehicle is due to the cost of the battery, a cost-efficient battery design is most critical. To address the limitations of nanomaterials, efficient transport pathways must be engineered in the bulk electrode. As a part of nanomanufacturing research being conducted the Center for High-rate Nanomanufacturing at Northeastern University, the first aim of the proposed work is to develop electrode architectures that enhance electronic and ionic transport pathways in large and small area lithium ion electrodes. These architectures will utilize the unique electronic and mechanical properties of carbon nanotubes to create robust electrode scaffolding that improves electrochemical charge transfer. Using extensive physical and electrochemical characterization, the second aim is to investigate the effect of electrode parameters on electrochemical performance and evaluate the performance against standard commercial electrodes. These parameters include surface morphology, electrode composition, electrode density, and operating temperature. Finally, the third aim is to investigate commercial viability of the electrode architecture. This will be accomplished by developing pouch cell prototypes using a high-rate and low cost scale-up process. Through this work, we aim to realize a commercially viable high-power electrode technology.

Skin electronics from scalable fabrication of an intrinsically stretchable transistor array.

PubMed

Wang, Sihong; Xu, Jie; Wang, Weichen; Wang, Ging-Ji Nathan; Rastak, Reza; Molina-Lopez, Francisco; Chung, Jong Won; Niu, Simiao; Feig, Vivian R; Lopez, Jeffery; Lei, Ting; Kwon, Soon-Ki; Kim, Yeongin; Foudeh, Amir M; Ehrlich, Anatol; Gasperini, Andrea; Yun, Youngjun; Murmann, Boris; Tok, Jeffery B-H; Bao, Zhenan

2018-03-01

Skin-like electronics that can adhere seamlessly to human skin or within the body are highly desirable for applications such as health monitoring, medical treatment, medical implants and biological studies, and for technologies that include human-machine interfaces, soft robotics and augmented reality. Rendering such electronics soft and stretchable-like human skin-would make them more comfortable to wear, and, through increased contact area, would greatly enhance the fidelity of signals acquired from the skin. Structural engineering of rigid inorganic and organic devices has enabled circuit-level stretchability, but this requires sophisticated fabrication techniques and usually suffers from reduced densities of devices within an array. We reasoned that the desired parameters, such as higher mechanical deformability and robustness, improved skin compatibility and higher device density, could be provided by using intrinsically stretchable polymer materials instead. However, the production of intrinsically stretchable materials and devices is still largely in its infancy: such materials have been reported, but functional, intrinsically stretchable electronics have yet to be demonstrated owing to the lack of a scalable fabrication technology. Here we describe a fabrication process that enables high yield and uniformity from a variety of intrinsically stretchable electronic polymers. We demonstrate an intrinsically stretchable polymer transistor array with an unprecedented device density of 347 transistors per square centimetre. The transistors have an average charge-carrier mobility comparable to that of amorphous silicon, varying only slightly (within one order of magnitude) when subjected to 100 per cent strain for 1,000 cycles, without current-voltage hysteresis. Our transistor arrays thus constitute intrinsically stretchable skin electronics, and include an active matrix for sensory arrays, as well as analogue and digital circuit elements. Our process offers a general platform for incorporating other intrinsically stretchable polymer materials, enabling the fabrication of next-generation stretchable skin electronic devices.

Skin electronics from scalable fabrication of an intrinsically stretchable transistor array

NASA Astrophysics Data System (ADS)

Wang, Sihong; Xu, Jie; Wang, Weichen; Wang, Ging-Ji Nathan; Rastak, Reza; Molina-Lopez, Francisco; Chung, Jong Won; Niu, Simiao; Feig, Vivian R.; Lopez, Jeffery; Lei, Ting; Kwon, Soon-Ki; Kim, Yeongin; Foudeh, Amir M.; Ehrlich, Anatol; Gasperini, Andrea; Yun, Youngjun; Murmann, Boris; Tok, Jeffery B.-H.; Bao, Zhenan

2018-03-01

Skin-like electronics that can adhere seamlessly to human skin or within the body are highly desirable for applications such as health monitoring, medical treatment, medical implants and biological studies, and for technologies that include human-machine interfaces, soft robotics and augmented reality. Rendering such electronics soft and stretchable—like human skin—would make them more comfortable to wear, and, through increased contact area, would greatly enhance the fidelity of signals acquired from the skin. Structural engineering of rigid inorganic and organic devices has enabled circuit-level stretchability, but this requires sophisticated fabrication techniques and usually suffers from reduced densities of devices within an array. We reasoned that the desired parameters, such as higher mechanical deformability and robustness, improved skin compatibility and higher device density, could be provided by using intrinsically stretchable polymer materials instead. However, the production of intrinsically stretchable materials and devices is still largely in its infancy: such materials have been reported, but functional, intrinsically stretchable electronics have yet to be demonstrated owing to the lack of a scalable fabrication technology. Here we describe a fabrication process that enables high yield and uniformity from a variety of intrinsically stretchable electronic polymers. We demonstrate an intrinsically stretchable polymer transistor array with an unprecedented device density of 347 transistors per square centimetre. The transistors have an average charge-carrier mobility comparable to that of amorphous silicon, varying only slightly (within one order of magnitude) when subjected to 100 per cent strain for 1,000 cycles, without current-voltage hysteresis. Our transistor arrays thus constitute intrinsically stretchable skin electronics, and include an active matrix for sensory arrays, as well as analogue and digital circuit elements. Our process offers a general platform for incorporating other intrinsically stretchable polymer materials, enabling the fabrication of next-generation stretchable skin electronic devices.

The effect of density fluctuations on electron cyclotron beam broadening and implications for ITER

NASA Astrophysics Data System (ADS)

Snicker, A.; Poli, E.; Maj, O.; Guidi, L.; Köhn, A.; Weber, H.; Conway, G.; Henderson, M.; Saibene, G.

2018-01-01

We present state-of-the-art computations of propagation and absorption of electron cyclotron waves, retaining the effects of scattering due to electron density fluctuations. In ITER, injected microwaves are foreseen to suppress neoclassical tearing modes (NTMs) by driving current at the q=2 and q=3/2 resonant surfaces. Scattering of the beam can spoil the good localization of the absorption and thus impair NTM control capabilities. A novel tool, the WKBeam code, has been employed here in order to investigate this issue. The code is a Monte Carlo solver for the wave kinetic equation and retains diffraction, full axisymmetric tokamak geometry, determination of the absorption profile and an integral form of the scattering operator which describes the effects of turbulent density fluctuations within the limits of the Born scattering approximation. The approach has been benchmarked against the paraxial WKB code TORBEAM and the full-wave code IPF-FDMC. In particular, the Born approximation is found to be valid for ITER parameters. In this paper, we show that the radiative transport of EC beams due to wave scattering in ITER is diffusive unlike in present experiments, thus causing up to a factor of 2-4 broadening in the absorption profile. However, the broadening depends strongly on the turbulence model assumed for the density fluctuations, which still has large uncertainties.

Opposite Latitudinal Dependence of the Premidnight and Postmidnight Oscillations in the Electron Density of Midlatitude F Layer

NASA Astrophysics Data System (ADS)

Chen, Gang; Wang, Jin; Zhang, Shaodong; Deng, Zhongxin; Zhong, Dingkun; Wu, Chen; Jin, Han; Li, Yaxian

2018-01-01

The dense observation points of the oblique-incidence ionosonde network in North China make it possible to discover the ionospheric regional variations with relatively high spatial resolution. The ionosonde network and the Beijing digisonde are used to investigate the ionospheric nighttime oscillations in January and February 2011. The electron density enhancements occurring before and after midnight present the obvious opposite latitudinal dependence in the time-latitude maps, which are composed by the differential critical frequency of F2 layer. The premidnight enhancements (PRMEs) appeared earlier in the north and then moved to south. The postmidnight enhancements (POMEs) did the opposite. The data analysis shows that the PRME was a part of the large-scale traveling ionospheric disturbance (LSTID), which may be produced by gravity waves. The southward propagation of the LSTIDs is considered to form the positive latitudinal dependence of the wave peaks and troughs. The postmidnight F layer oscillation was composed by a single enhancement and a single decline following it. The westward electric field-induced E × B drift, which pushed the F layer to lower altitudes with higher recombination loss, was most likely to compress the plasma and produce the POMEs. Along with the continuously dropping of the layer, the recombination loss exceeded the density increase due to the compression effect and then the electron density decline appeared.

Observations of high-plasma density region in the inner coma of 67P/Churyumov-Gerasimenko during early activity

NASA Astrophysics Data System (ADS)

Yang, Lei; Paulsson, J. J. P.; Wedlund, C. Simon; Odelstad, E.; Edberg, N. J. T.; Koenders, C.; Eriksson, A. I.; Miloch, W. J.

2016-11-01

In 2014 September, as Rosetta transitioned to close bound orbits at 30 km from comet 67P/Churyumov-Gerasimenko, the Rosetta Plasma Consortium Langmuir probe (RPC-LAP) data showed large systematic fluctuations in both the spacecraft potential and the collected currents. We analyse the potential bias sweeps from RPC-LAP, from which we extract three sets of parameters: (1) knee potential, that we relate to the spacecraft potential, (2) the ion attraction current, which is composed of the photoelectron emission current from the probe as well as contributions from local ions, secondary emission, and low-energy electrons, and (3) an electron current whose variation is, in turn, an estimate of the electron density variation. We study the evolution of these parameters between 4 and 3.2 au in heliocentric and cometocentric frames. We find on September 9 a transition into a high-density plasma region characterized by increased knee potential fluctuations and plasma currents to the probe. In conjunction with previous studies, the early cometary plasma can be seen as composed of two regions: an outer region characterized by solar wind plasma, and small quantities of pick-up ions, and an inner region with enhanced plasma densities. This conclusion is in agreement with other RPC instruments such as RPC-MAG, RPC-IES and RPC-ICA, and numerical simulations.

Layered-MnO₂ Nanosheet Grown on Nitrogen-Doped Graphene Template as a Composite Cathode for Flexible Solid-State Asymmetric Supercapacitor.

PubMed

Liu, Yongchuan; Miao, Xiaofei; Fang, Jianhui; Zhang, Xiangxin; Chen, Sujing; Li, Wei; Feng, Wendou; Chen, Yuanqiang; Wang, Wei; Zhang, Yining

2016-03-02

Flexible solid-state supercapacitors provide a promising energy-storage alternative for the rapidly growing flexible and wearable electronic industry. Further improving device energy density and developing a cheap flexible current collector are two major challenges in pushing the technology forward. In this work, we synthesize a nitrogen-doped graphene/MnO2 nanosheet (NGMn) composite by a simple hydrothermal method. Nitrogen-doped graphene acts as a template to induce the growth of layered δ-MnO2 and improves the electronic conductivity of the composite. The NGMn composite exhibits a large specific capacitance of about 305 F g(-1) at a scan rate of 5 mV s(-1). We also create a cheap and highly conductive flexible current collector using Scotch tape. Flexible solid-state asymmetric supercapacitors are fabricated with NGMn cathode, activated carbon anode, and PVA-LiCl gel electrolyte. The device can achieve a high operation voltage of 1.8 V and exhibits a maximum energy density of 3.5 mWh cm(-3) at a power density of 0.019 W cm(-3). Moreover, it retains >90% of its initial capacitance after 1500 cycles. Because of its flexibility, high energy density, and good cycle life, NGMn-based flexible solid state asymmetric supercapacitors have great potential for application in next-generation portable and wearable electronics.

Realizing Large-Scale, Electronic-Grade Two-Dimensional Semiconductors.

PubMed

Lin, Yu-Chuan; Jariwala, Bhakti; Bersch, Brian M; Xu, Ke; Nie, Yifan; Wang, Baoming; Eichfeld, Sarah M; Zhang, Xiaotian; Choudhury, Tanushree H; Pan, Yi; Addou, Rafik; Smyth, Christopher M; Li, Jun; Zhang, Kehao; Haque, M Aman; Fölsch, Stefan; Feenstra, Randall M; Wallace, Robert M; Cho, Kyeongjae; Fullerton-Shirey, Susan K; Redwing, Joan M; Robinson, Joshua A

2018-02-27

Atomically thin transition metal dichalcogenides (TMDs) are of interest for next-generation electronics and optoelectronics. Here, we demonstrate device-ready synthetic tungsten diselenide (WSe 2 ) via metal-organic chemical vapor deposition and provide key insights into the phenomena that control the properties of large-area, epitaxial TMDs. When epitaxy is achieved, the sapphire surface reconstructs, leading to strong 2D/3D (i.e., TMD/substrate) interactions that impact carrier transport. Furthermore, we demonstrate that substrate step edges are a major source of carrier doping and scattering. Even with 2D/3D coupling, transistors utilizing transfer-free epitaxial WSe 2 /sapphire exhibit ambipolar behavior with excellent on/off ratios (∼10 7 ), high current density (1-10 μA·μm -1 ), and good field-effect transistor mobility (∼30 cm 2 ·V -1 ·s -1 ) at room temperature. This work establishes that realization of electronic-grade epitaxial TMDs must consider the impact of the TMD precursors, substrate, and the 2D/3D interface as leading factors in electronic performance.

Self-Consistent Large-Scale Magnetosphere-Ionosphere Coupling: Computational Aspects and Experiments

NASA Technical Reports Server (NTRS)

Newman, Timothy S.

2003-01-01

Both external and internal phenomena impact the terrestrial magnetosphere. For example, solar wind and particle precipitation effect the distribution of hot plasma in the magnetosphere. Numerous models exist to describe different aspects of magnetosphere characteristics. For example, Tsyganenko has developed a series of models (e.g., [TSYG89]) that describe the magnetic field, and Stern [STER75] and Volland [VOLL73] have developed an analytical model that describes the convection electric field. Over the past several years, NASA colleague Khazanov, working with Fok and others, has developed a large-scale coupled model that tracks particle flow to determine hot ion and electron phase space densities in the magnetosphere. This model utilizes external data such as solar wind densities and velocities and geomagnetic indices (e.g., Kp) to drive computational processes that evaluate magnetic, electric field, and plasma sheet models at any time point. These models are coupled such that energetic ion and electron fluxes are produced, with those fluxes capable of interacting with the electric field model. A diagrammatic representation of the coupled model is shown.

Method for removing atomic-model bias in macromolecular crystallography

DOEpatents

Terwilliger, Thomas C [Santa Fe, NM

2006-08-01

Structure factor bias in an electron density map for an unknown crystallographic structure is minimized by using information in a first electron density map to elicit expected structure factor information. Observed structure factor amplitudes are combined with a starting set of crystallographic phases to form a first set of structure factors. A first electron density map is then derived and features of the first electron density map are identified to obtain expected distributions of electron density. Crystallographic phase probability distributions are established for possible crystallographic phases of reflection k, and the process is repeated as k is indexed through all of the plurality of reflections. An updated electron density map is derived from the crystallographic phase probability distributions for each one of the reflections. The entire process is then iterated to obtain a final set of crystallographic phases with minimum bias from known electron density maps.

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 into atomic fragments, which are further expanded in spherical harmonics times radial factors. The partition is used for defining molecular density deformations and for the fast calculation of several properties associated to density. Restrictions: The current version is limited to 120 atoms, 2000 contracted functions, and l=5 in basis functions. Density must come from a LCAO calculation (any level) with spherical (not Cartesian) Gaussian functions. Unusual features: The program contains an OPEN statement to binary files (stream) in file GOPENMOL.F90. This statement has not a standard syntax in Fortran 90. Two possibilities are considered in conditional compilation: Intel's ifort and Fortran2003 standard. This latter is applied to compilers other than ifort (gfortran uses this one, for instance). Additional comments: The distribution file for this program is over 30 Mbytes and therefore is not delivered directly when download or e-mail is requested. Instead a html file giving details of how the program can be obtained is sent. Running time: Largely dependent on the system size and the module run (from fractions of a second to hours). References: [1] J. Fernández Rico, R. López, I. Ema, G. Ramírez, J. Mol. Struct. (Theochem) 727 (2005) 115.

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.

Midlatitude D region variations measured from broadband radio atmospherics

NASA Astrophysics Data System (ADS)

Han, Feng

The high power, broadband very low frequency (VLF, 3--30 kHz) and extremely low frequency (ELF, 3--3000 Hz) electromagnetic waves generated by lightning discharges and propagating in the Earth-ionosphere waveguide can be used to measure the average electron density profile of the lower ionosphere (D region) across the wave propagation path due to several reflections by the upper boundary (lower ionosphere) of the waveguide. This capability makes it possible to frequently and even continuously monitor the D region electron density profile variations over geographically large regions, which are measurements that are essentially impossible by other means. These guided waves, usually called atmospherics (or sferics for short), are recorded by our sensors located near Duke University. The purpose of this work is to develop and implement algorithms to derive the variations of D region electron density profile which is modeled by two parameters (one is height and another is sharpness), by comparing the recorded sferic spectra to a series of model simulated sferic spectra from using a finite difference time domain (FDTD) code. In order to understand the time scales, magnitudes and sources for the midlatitude nighttime D region variations, we analyzed the sferic data of July and August 2005, and extracted both the height and sharpness of the D region electron density profile. The heights show large temporal variations of several kilometers on some nights and the relatively stable behavior on others. Statistical calculations indicate that the hourly average heights during the two months range between 82.0 km and 87.2 km with a mean value of 84.9 km and a standard deviation of 1.1 km. We also observed spatial variations of height as large as 2.0 km over 5 degrees latitudes on some nights, and no spatial variation on others. In addition, the measured height variations exhibited close correlations with local lightning occurrence rate on some nights but no correlation with local lightning or displaced lightning on others. The nighttime profile sharpness during 2.5 hours in two different nights was calculated, and the results were compared to the equivalent sharpness derived from International Reference Ionosphere (IRI) models. Both the absolute values and variation trends in IRI models are different from those in broadband measurements. Based on sferic data similar to those for nighttime, we also measured the day-time D region electron density profile variations in July and August 2005 near Duke University. As expected, the solar radiation is the dominant but not the only determinant source for the daytime D region profile height temporal variations. The observed quiet time heights showed close correlations with solar zenith angle changes but unexpected spatial variations not linked to the solar zenith angle were also observed on some days, with 15% of days exhibiting regional differences larger than 0.5 km. During the solar flare, the induced height change was approximately proportional to the logarithm of the X-ray fluxes. During the rising and decaying phases of the solar flare, the height changes correlated more consistently with the short (wavelength 0.5--4 A), rather than the long (wavelength 1--8 A) X-ray flux changes. The daytime profile sharpness during morning, noontime and afternoon periods in three different days and for the solar zenith angle range 20 to 75 degrees was calculated. These broadband measured results were compared to narrowband VLF measurements, IRI models and Faraday rotation base IRI models (called FIRI). The estimated sharpness from all these sources was more consistent when the solar zenith angle was small than when it was large. By applying the nighttime and daytime measurement techniques, we also derived the D region variations during sunrise and sunset periods. The measurements showed that both the electron density profile height and sharpness decrease during the sunrise period while increase during the sunset period.

Impact of the Hall effect on high-energy-density plasma jets.

PubMed

Gourdain, P-A; Seyler, C E

2013-01-04

Using a 1-MA, 100 ns-rise-time pulsed power generator, radial foil configurations can produce strongly collimated plasma jets. The resulting jets have electron densities on the order of 10(20) cm(-3), temperatures above 50 eV and plasma velocities on the order of 100 km/s, giving Reynolds numbers of the order of 10(3), magnetic Reynolds and Péclet numbers on the order of 1. While Hall physics does not dominate jet dynamics due to the large particle density and flow inside, it strongly impacts flows in the jet periphery where plasma density is low. As a result, Hall physics affects indirectly the geometrical shape of the jet and its density profile. The comparison between experiments and numerical simulations demonstrates that the Hall term enhances the jet density when the plasma current flows away from the jet compared to the case where the plasma current flows towards it.

First results from the Thomson scattering diagnostic on proto-MPEX

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

Biewer, T. M., E-mail: biewertm@ornl.gov; Meitner, S.; Rapp, J.

2016-11-15

A Thomson scattering (TS) diagnostic has been successfully implemented on the prototype Material Plasma Exposure eXperiment (Proto-MPEX) at Oak Ridge National Laboratory. The diagnostic collects the light scattered by plasma electrons and spectroscopically resolves the Doppler shift imparted to the light by the velocity of the electrons. The spread in velocities is proportional to the electron temperature, while the total number of photons is proportional to the electron density. TS is a technique used on many devices to measure the electron temperature (T{sub e}) and electron density (n{sub e}) of the plasma. A challenging aspect of the technique is tomore » discriminate the small number of Thomson scattered photons against the large peak of background photons from the high-power laser used to probe the plasma. A variety of methods are used to mitigate the background photons in Proto-MPEX, including Brewster angled windows, viewing dumps, and light baffles. With these methods, first results were measured from argon plasmas in Proto-MPEX, indicating T{sub e} ∼ 2 eV and n{sub e} ∼ 1 × 10{sup 19} m{sup −3}. The configuration of the Proto-MPEX TS diagnostic will be described and plans for improvement will be given.« less

Pc 5 Spectral Density at ULTIMA stataions and its Radial Diffusion Coefficients for REE

NASA Astrophysics Data System (ADS)

Fujimoto, A.; Tokunaga, T.; Abe, S.; Uozumi, T.; Yoshikawa, A.; Mann, I. R.; Chi, P. J.; Engebretson, M. J.; Yumoto, K.

2009-12-01

Pc 5 magnetic pulsations with frequencies between 1.67 and 6.67 mHz, are believed to contribute to the Relativistic Electron Enhancement (REE) in the outer radiation belt during magnetic storms. Ground-based observations suggested that high-speed solar wind and large-amplitude Pc 5 waves with a long duration during the storm recovery phase are closely associated with the production of relativistic electrons [Baker et al., 1998; Rostoker et al., 1998; Mathie and Mann, 2000; O’Brien et al., 2001, 2003]. On the other hand, many relativistic electron acceleration mechanisms have been proposed theoretically. They are separated roughly into two themes: in situ acceleration at L lower than 6.6 by wave particle interactions (as internal source acceleration mechanisms) [Liu et al., 1999; Summers et al., 1999; Summers and Ma, 2000] and acceleration by radial diffusion to transport and accelerate a source population of electrons from the outer to the inner magnetosphere (as external source acceleration mechanisms) [Elkington et al., 1999, 2003; Hudson et al., 2000; Kim et al., 2001]. One possible external source acceleration mechanism is the resonant interaction with ULF toroidal and poloidal waves. In order to verify which of the two mechanisms is more effective for the REE, we have to examine the time variation of electron phase space density. Electron phase space density is not directly measured, but we can estimate radial diffusion coefficients using observational electric and magnetic data. The goal of this paper is to get more reliable radial diffusion coefficient from ground-based observational magnetic field and to show reasonability of it for radial diffusion model. We use the global magnetometer data obtained from ULTIMA (Ultra Large Terrestrial International Magnetic Array, see http://www.serc.kyushu-u.ac.jp/ultima/ultima.html) stations, to precisely define the radial diffusion timescales. The ULTIMA includes McMAC, CARISAM, 210MM and MAGDAS/CPMN magnetometer arrays. The radial diffusion coefficient can be given from the magnetic field power spectral density as a function of L, frequency (f) and m-number (m) in the Pc 5 frequency range during the REE related magnetic storms [see Brautigam et al., 2005]. We can fit Pc 5 power spectral density (L, f, m) using the ULTIMA data. The m-number of global Pc 5 pulsation on the ground is found to be almost less than 5. This is consistent with m-number required in the radial diffusion theory by Elkington et al. [1999, 2003]. We will compare the observationally estimated diffusion coefficient with theoretical diffusion coefficient [e.g. Elkington et al., 2006], and discuss adequacy of our diffusion coefficient.

Handling Density Conversion in TPS.

PubMed

Isobe, Tomonori; Mori, Yutaro; Takei, Hideyuki; Sato, Eisuke; Tadano, Kiichi; Kobayashi, Daisuke; Tomita, Tetsuya; Sakae, Takeji

2016-01-01

Conversion from CT value to density is essential to a radiation treatment planning system. Generally CT value is converted to the electron density in photon therapy. In the energy range of therapeutic photon, interactions between photons and materials are dominated with Compton scattering which the cross-section depends on the electron density. The dose distribution is obtained by calculating TERMA and kernel using electron density where TERMA is the energy transferred from primary photons and kernel is a volume considering spread electrons. Recently, a new method was introduced which uses the physical density. This method is expected to be faster and more accurate than that using the electron density. As for particle therapy, dose can be calculated with CT-to-stopping power conversion since the stopping power depends on the electron density. CT-to-stopping power conversion table is also called as CT-to-water-equivalent range and is an essential concept for the particle therapy.

Effects of mechanical strain on the performance of germanene sheets: Strength, failure behavior, and electronic structure

NASA Astrophysics Data System (ADS)

Ding, Ning; Wang, Huan; Liu, Long; Guo, Weimin; Chen, Xiangfeng; Wu, Chi-Man Lawrence

2018-02-01

As a two-dimensional material with a low-buckling structure, germanene has attracted considerable interest because of its excellent physical properties, such as massless Dirac fermions and quantum spin Hall effect. The mechanical characteristics of germanene are of the utmost importance when one is assessing its viability for nanodevices, especially for ones with defects. In this work, the stabilities, mechanical properties, and changes in electronic properties under mechanical strain for both pristine and defective germanene sheets were studied and analyzed with use of density functional theory. The mechanical properties of defect-free germanene exhibited obvious anisotropy along different directions. The mechanical properties of germanene sheets exhibited high sensitivity to the defect parameters, such as the linear density of vacancies, the width of the cracks, and the inflection angles caused by the grain boundaries. In addition, the applied mechanical strain changed the electronic properties of germanene to a large extent. The information obtained will be useful for the understanding and potential application of germanene.